core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: rosetta.binary.linux.release-188 r188 2018.33+release.7111c54 7111c54c14ba9a53c012a524f8f1438a8e3fb020 https://www.rosettacommons.org 2018-08-14T02:36:37.119534 core.init: command: /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/backrub.static.linuxgccrelease -s /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb -ignore_unrecognized_res -ex1 -ex2 -extrachi_cutoff 0 -out:prefix model_stripped_0001 -mute core.io.pdb.file_data -backrub:ntrials 10000 -out:nstruct 10 core.init: 'RNG device' seed mode, using '/dev/urandom', seed=-450960725 seed_offset=0 real_seed=-450960725 core.init.random: RandomGenerator:init: Normal mode, seed=-450960725 RG_type=mt19937 core.init: Resolved executable path: /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/static/backrub.static.linuxgccrelease core.init: Looking for database based on location of executable: /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/database/ core.mm.MMBondAngleLibrary: MM bond angle sets added fully assigned: 603; wildcard: 0 and 1 virtual parameter. core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.73 seconds. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.88 seconds to load from binary protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: pushed /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb nstruct indices 1 - 10 protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from PDB /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb core.import_pose.import_pose: File '/home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb' automatically determined to be of type PDB core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 1 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: GLU:NtermProteinFull core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 2 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: HIS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 3 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 5 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 7 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 9 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 10 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 11 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 13 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 14 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 15 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 16 in file /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb. Best match rsd_type: VAL:CtermProteinFull core.conformation.Conformation: [ WARNING ] missing heavyatom: O on residue VAL:CtermProteinFull 16 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue VAL:CtermProteinFull 16 core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] can't find pose atom for file-residue 16 atom O1 (trying to store temperature in PDBInfo) core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] can't find pose atom for file-residue 16 atom O2 (trying to store temperature in PDBInfo) core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1041; accepts= 0.3631; energy_drop/trial= -0.00638 protocols.moves.TrialCounter: br_CA_CA_07 trials= 923; accepts= 0.4128; energy_drop/trial= -0.01974 protocols.moves.TrialCounter: br_CA_CA_10 trials= 858; accepts= 0.3660; energy_drop/trial= 0.00595 protocols.moves.TrialCounter: br_CA_CA_13 trials= 824; accepts= 0.3544; energy_drop/trial= -0.01521 protocols.moves.TrialCounter: br_CA_CA_16 trials= 701; accepts= 0.4165; energy_drop/trial= 0.01099 protocols.moves.TrialCounter: br_CA_CA_19 trials= 696; accepts= 0.3779; energy_drop/trial= -0.00593 protocols.moves.TrialCounter: br_CA_CA_22 trials= 613; accepts= 0.4519; energy_drop/trial= -0.01208 protocols.moves.TrialCounter: br_CA_CA_25 trials= 549; accepts= 0.4663; energy_drop/trial= 0.01295 protocols.moves.TrialCounter: br_CA_CA_28 trials= 514; accepts= 0.4475; energy_drop/trial= 0.00784 protocols.moves.TrialCounter: br_CA_CA_31 trials= 401; accepts= 0.4638; energy_drop/trial= -0.00201 protocols.moves.TrialCounter: br_CA_CA_34 trials= 372; accepts= 0.5134; energy_drop/trial= 0.02331 protocols.moves.TrialCounter: sc_chi_rot trials= 2249; accepts= 0.3588; energy_drop/trial= -0.01845 protocols.moves.TrialCounter: sc_chi_unif trials= 259; accepts= 0.0116; energy_drop/trial= -0.00068 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -49.911 -49.911 fa_rep 0.550 11.195 6.157 fa_sol 1.000 38.014 38.014 fa_intra_rep 0.005 93.697 0.468 fa_intra_sol_xover4 1.000 3.357 3.357 lk_ball_wtd 1.000 -2.795 -2.795 mm_bend 1.000 5.981 5.981 fa_elec 1.000 -6.369 -6.369 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -5.411 -5.411 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.045 -2.045 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 15.362 6.145 fa_dun 0.700 34.331 24.031 p_aa_pp 0.600 2.191 1.315 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 15.442 6.949 --------------------------------------------------- Total weighted score: 26.222 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -49.452 -49.452 fa_rep 0.550 10.044 5.524 fa_sol 1.000 38.323 38.323 fa_intra_rep 0.005 59.898 0.299 fa_intra_sol_xover4 1.000 3.524 3.524 lk_ball_wtd 1.000 -3.354 -3.354 mm_bend 1.000 3.476 3.476 fa_elec 1.000 -8.164 -8.164 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.916 -3.916 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.983 -2.983 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 16.674 6.670 fa_dun 0.700 34.549 24.184 p_aa_pp 0.600 1.816 1.090 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 10.662 4.798 --------------------------------------------------- Total weighted score: 20.356 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0001 reported success in 11 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1075; accepts= 0.3721; energy_drop/trial= -0.01535 protocols.moves.TrialCounter: br_CA_CA_07 trials= 923; accepts= 0.3673; energy_drop/trial= 0.00581 protocols.moves.TrialCounter: br_CA_CA_10 trials= 836; accepts= 0.3768; energy_drop/trial= -0.00372 protocols.moves.TrialCounter: br_CA_CA_13 trials= 777; accepts= 0.4067; energy_drop/trial= -0.01171 protocols.moves.TrialCounter: br_CA_CA_16 trials= 742; accepts= 0.3962; energy_drop/trial= -0.01758 protocols.moves.TrialCounter: br_CA_CA_19 trials= 635; accepts= 0.4850; energy_drop/trial= -0.00162 protocols.moves.TrialCounter: br_CA_CA_22 trials= 631; accepts= 0.4485; energy_drop/trial= -0.00110 protocols.moves.TrialCounter: br_CA_CA_25 trials= 532; accepts= 0.4568; energy_drop/trial= 0.02194 protocols.moves.TrialCounter: br_CA_CA_28 trials= 499; accepts= 0.4489; energy_drop/trial= 0.01637 protocols.moves.TrialCounter: br_CA_CA_31 trials= 423; accepts= 0.4563; energy_drop/trial= 0.01324 protocols.moves.TrialCounter: br_CA_CA_34 trials= 349; accepts= 0.4499; energy_drop/trial= 0.01250 protocols.moves.TrialCounter: sc_chi_rot trials= 2319; accepts= 0.3217; energy_drop/trial= -0.02039 protocols.moves.TrialCounter: sc_chi_unif trials= 259; accepts= 0.0232; energy_drop/trial= 0.00054 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -49.976 -49.976 fa_rep 0.550 13.941 7.667 fa_sol 1.000 39.474 39.474 fa_intra_rep 0.005 85.600 0.428 fa_intra_sol_xover4 1.000 3.039 3.039 lk_ball_wtd 1.000 -3.277 -3.277 mm_bend 1.000 6.527 6.527 fa_elec 1.000 -5.962 -5.962 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.785 -4.785 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.270 -2.270 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 12.648 5.059 fa_dun 0.700 37.216 26.051 p_aa_pp 0.600 0.566 0.339 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 15.337 6.902 --------------------------------------------------- Total weighted score: 29.551 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.362 -47.362 fa_rep 0.550 6.498 3.574 fa_sol 1.000 36.260 36.260 fa_intra_rep 0.005 59.954 0.300 fa_intra_sol_xover4 1.000 3.678 3.678 lk_ball_wtd 1.000 -3.113 -3.113 mm_bend 1.000 4.323 4.323 fa_elec 1.000 -7.599 -7.599 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.444 -3.444 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.644 -2.644 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.730 5.492 fa_dun 0.700 35.510 24.857 p_aa_pp 0.600 -0.636 -0.382 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 10.883 4.897 --------------------------------------------------- Total weighted score: 19.173 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0002 reported success in 9 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 993; accepts= 0.3394; energy_drop/trial= -0.00462 protocols.moves.TrialCounter: br_CA_CA_07 trials= 999; accepts= 0.3614; energy_drop/trial= -0.00779 protocols.moves.TrialCounter: br_CA_CA_10 trials= 924; accepts= 0.3323; energy_drop/trial= 0.00047 protocols.moves.TrialCounter: br_CA_CA_13 trials= 858; accepts= 0.3543; energy_drop/trial= -0.00486 protocols.moves.TrialCounter: br_CA_CA_16 trials= 757; accepts= 0.4214; energy_drop/trial= -0.00400 protocols.moves.TrialCounter: br_CA_CA_19 trials= 676; accepts= 0.4172; energy_drop/trial= 0.00522 protocols.moves.TrialCounter: br_CA_CA_22 trials= 567; accepts= 0.4392; energy_drop/trial= -0.00681 protocols.moves.TrialCounter: br_CA_CA_25 trials= 519; accepts= 0.4682; energy_drop/trial= -0.00004 protocols.moves.TrialCounter: br_CA_CA_28 trials= 454; accepts= 0.4537; energy_drop/trial= 0.02482 protocols.moves.TrialCounter: br_CA_CA_31 trials= 392; accepts= 0.4515; energy_drop/trial= 0.02385 protocols.moves.TrialCounter: br_CA_CA_34 trials= 335; accepts= 0.4418; energy_drop/trial= -0.03720 protocols.moves.TrialCounter: sc_chi_rot trials= 2272; accepts= 0.3530; energy_drop/trial= -0.02184 protocols.moves.TrialCounter: sc_chi_unif trials= 254; accepts= 0.0315; energy_drop/trial= -0.00454 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -48.299 -48.299 fa_rep 0.550 15.739 8.656 fa_sol 1.000 34.596 34.596 fa_intra_rep 0.005 37.442 0.187 fa_intra_sol_xover4 1.000 3.245 3.245 lk_ball_wtd 1.000 -3.192 -3.192 mm_bend 1.000 4.268 4.268 fa_elec 1.000 -3.274 -3.274 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -5.565 -5.565 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.259 -2.259 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.002 5.201 fa_dun 0.700 35.087 24.561 p_aa_pp 0.600 -2.766 -1.660 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 13.546 6.096 --------------------------------------------------- Total weighted score: 22.897 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -52.271 -52.271 fa_rep 0.550 13.393 7.366 fa_sol 1.000 37.299 37.299 fa_intra_rep 0.005 46.730 0.234 fa_intra_sol_xover4 1.000 3.873 3.873 lk_ball_wtd 1.000 -3.349 -3.349 mm_bend 1.000 4.212 4.212 fa_elec 1.000 -7.865 -7.865 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -5.659 -5.659 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.016 -3.016 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 12.737 5.095 fa_dun 0.700 33.730 23.611 p_aa_pp 0.600 -1.796 -1.077 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 15.451 6.953 --------------------------------------------------- Total weighted score: 15.740 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0003 reported success in 8 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1016; accepts= 0.3770; energy_drop/trial= -0.00727 protocols.moves.TrialCounter: br_CA_CA_07 trials= 966; accepts= 0.3613; energy_drop/trial= -0.01688 protocols.moves.TrialCounter: br_CA_CA_10 trials= 887; accepts= 0.3427; energy_drop/trial= 0.00623 protocols.moves.TrialCounter: br_CA_CA_13 trials= 825; accepts= 0.3830; energy_drop/trial= 0.01783 protocols.moves.TrialCounter: br_CA_CA_16 trials= 758; accepts= 0.3918; energy_drop/trial= -0.02013 protocols.moves.TrialCounter: br_CA_CA_19 trials= 639; accepts= 0.4335; energy_drop/trial= -0.00064 protocols.moves.TrialCounter: br_CA_CA_22 trials= 649; accepts= 0.4284; energy_drop/trial= -0.00583 protocols.moves.TrialCounter: br_CA_CA_25 trials= 501; accepts= 0.4232; energy_drop/trial= 0.00866 protocols.moves.TrialCounter: br_CA_CA_28 trials= 481; accepts= 0.4283; energy_drop/trial= 0.00623 protocols.moves.TrialCounter: br_CA_CA_31 trials= 396; accepts= 0.4268; energy_drop/trial= -0.00861 protocols.moves.TrialCounter: br_CA_CA_34 trials= 376; accepts= 0.4867; energy_drop/trial= -0.00552 protocols.moves.TrialCounter: sc_chi_rot trials= 2277; accepts= 0.3465; energy_drop/trial= -0.01876 protocols.moves.TrialCounter: sc_chi_unif trials= 229; accepts= 0.0393; energy_drop/trial= -0.00499 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -48.788 -48.788 fa_rep 0.550 10.343 5.689 fa_sol 1.000 36.410 36.410 fa_intra_rep 0.005 42.145 0.211 fa_intra_sol_xover4 1.000 2.862 2.862 lk_ball_wtd 1.000 -2.876 -2.876 mm_bend 1.000 5.616 5.616 fa_elec 1.000 -5.551 -5.551 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.570 -4.570 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.786 -1.786 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.217 5.287 fa_dun 0.700 31.795 22.257 p_aa_pp 0.600 -1.711 -1.027 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 13.351 6.008 --------------------------------------------------- Total weighted score: 20.076 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -50.076 -50.076 fa_rep 0.550 8.900 4.895 fa_sol 1.000 38.693 38.693 fa_intra_rep 0.005 73.530 0.368 fa_intra_sol_xover4 1.000 2.799 2.799 lk_ball_wtd 1.000 -3.015 -3.015 mm_bend 1.000 4.403 4.403 fa_elec 1.000 -4.464 -4.464 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.359 -4.359 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.045 -2.045 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 14.293 5.717 fa_dun 0.700 30.908 21.635 p_aa_pp 0.600 -2.309 -1.385 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 8.067 3.630 --------------------------------------------------- Total weighted score: 17.130 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0004 reported success in 8 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1028; accepts= 0.3852; energy_drop/trial= -0.01308 protocols.moves.TrialCounter: br_CA_CA_07 trials= 891; accepts= 0.3614; energy_drop/trial= 0.00646 protocols.moves.TrialCounter: br_CA_CA_10 trials= 925; accepts= 0.3254; energy_drop/trial= -0.00135 protocols.moves.TrialCounter: br_CA_CA_13 trials= 842; accepts= 0.3444; energy_drop/trial= -0.00003 protocols.moves.TrialCounter: br_CA_CA_16 trials= 748; accepts= 0.3676; energy_drop/trial= 0.00138 protocols.moves.TrialCounter: br_CA_CA_19 trials= 683; accepts= 0.4070; energy_drop/trial= 0.00891 protocols.moves.TrialCounter: br_CA_CA_22 trials= 591; accepts= 0.4264; energy_drop/trial= 0.00050 protocols.moves.TrialCounter: br_CA_CA_25 trials= 536; accepts= 0.4216; energy_drop/trial= -0.01689 protocols.moves.TrialCounter: br_CA_CA_28 trials= 481; accepts= 0.4407; energy_drop/trial= -0.00901 protocols.moves.TrialCounter: br_CA_CA_31 trials= 396; accepts= 0.3889; energy_drop/trial= -0.00826 protocols.moves.TrialCounter: br_CA_CA_34 trials= 359; accepts= 0.4095; energy_drop/trial= 0.00447 protocols.moves.TrialCounter: sc_chi_rot trials= 2268; accepts= 0.3664; energy_drop/trial= -0.02239 protocols.moves.TrialCounter: sc_chi_unif trials= 252; accepts= 0.0198; energy_drop/trial= 0.00120 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -53.442 -53.442 fa_rep 0.550 11.808 6.495 fa_sol 1.000 37.419 37.419 fa_intra_rep 0.005 66.061 0.330 fa_intra_sol_xover4 1.000 3.002 3.002 lk_ball_wtd 1.000 -3.005 -3.005 mm_bend 1.000 5.471 5.471 fa_elec 1.000 -4.525 -4.525 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.105 -3.105 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.990 -1.990 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 14.134 5.654 fa_dun 0.700 33.910 23.737 p_aa_pp 0.600 -2.019 -1.211 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 6.131 2.759 --------------------------------------------------- Total weighted score: 17.923 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -51.607 -51.607 fa_rep 0.550 10.545 5.800 fa_sol 1.000 37.179 37.179 fa_intra_rep 0.005 67.828 0.339 fa_intra_sol_xover4 1.000 3.119 3.119 lk_ball_wtd 1.000 -3.513 -3.513 mm_bend 1.000 4.105 4.105 fa_elec 1.000 -5.099 -5.099 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.587 -3.587 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.066 -2.066 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.215 5.286 fa_dun 0.700 35.173 24.621 p_aa_pp 0.600 -2.292 -1.375 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 7.270 3.272 --------------------------------------------------- Total weighted score: 16.807 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0005 reported success in 9 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1056; accepts= 0.3617; energy_drop/trial= 0.00411 protocols.moves.TrialCounter: br_CA_CA_07 trials= 985; accepts= 0.4102; energy_drop/trial= -0.02631 protocols.moves.TrialCounter: br_CA_CA_10 trials= 876; accepts= 0.3676; energy_drop/trial= -0.00994 protocols.moves.TrialCounter: br_CA_CA_13 trials= 800; accepts= 0.3650; energy_drop/trial= 0.01576 protocols.moves.TrialCounter: br_CA_CA_16 trials= 771; accepts= 0.4488; energy_drop/trial= 0.01715 protocols.moves.TrialCounter: br_CA_CA_19 trials= 714; accepts= 0.4426; energy_drop/trial= 0.00265 protocols.moves.TrialCounter: br_CA_CA_22 trials= 554; accepts= 0.4693; energy_drop/trial= -0.00538 protocols.moves.TrialCounter: br_CA_CA_25 trials= 551; accepts= 0.4755; energy_drop/trial= 0.03034 protocols.moves.TrialCounter: br_CA_CA_28 trials= 435; accepts= 0.5080; energy_drop/trial= -0.01142 protocols.moves.TrialCounter: br_CA_CA_31 trials= 390; accepts= 0.4538; energy_drop/trial= -0.02940 protocols.moves.TrialCounter: br_CA_CA_34 trials= 338; accepts= 0.5769; energy_drop/trial= -0.02512 protocols.moves.TrialCounter: sc_chi_rot trials= 2274; accepts= 0.4050; energy_drop/trial= -0.01871 protocols.moves.TrialCounter: sc_chi_unif trials= 256; accepts= 0.0273; energy_drop/trial= 0.01770 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -39.002 -39.002 fa_rep 0.550 10.136 5.575 fa_sol 1.000 32.116 32.116 fa_intra_rep 0.005 41.261 0.206 fa_intra_sol_xover4 1.000 3.655 3.655 lk_ball_wtd 1.000 -3.789 -3.789 mm_bend 1.000 4.656 4.656 fa_elec 1.000 -1.473 -1.473 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -2.449 -2.449 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.154 -2.154 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.301 5.320 fa_dun 0.700 36.952 25.866 p_aa_pp 0.600 -0.985 -0.591 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 10.991 4.946 --------------------------------------------------- Total weighted score: 33.217 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -44.411 -44.411 fa_rep 0.550 10.410 5.726 fa_sol 1.000 31.967 31.967 fa_intra_rep 0.005 98.185 0.491 fa_intra_sol_xover4 1.000 3.473 3.473 lk_ball_wtd 1.000 -3.545 -3.545 mm_bend 1.000 4.129 4.129 fa_elec 1.000 -2.370 -2.370 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.106 -3.106 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.373 -1.373 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.331 5.333 fa_dun 0.700 34.452 24.117 p_aa_pp 0.600 -1.939 -1.163 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 6.901 3.105 --------------------------------------------------- Total weighted score: 22.705 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0006 reported success in 8 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 985; accepts= 0.3421; energy_drop/trial= 0.00941 protocols.moves.TrialCounter: br_CA_CA_07 trials= 956; accepts= 0.3556; energy_drop/trial= -0.01613 protocols.moves.TrialCounter: br_CA_CA_10 trials= 864; accepts= 0.3634; energy_drop/trial= -0.00291 protocols.moves.TrialCounter: br_CA_CA_13 trials= 844; accepts= 0.3353; energy_drop/trial= -0.00775 protocols.moves.TrialCounter: br_CA_CA_16 trials= 727; accepts= 0.3893; energy_drop/trial= -0.02172 protocols.moves.TrialCounter: br_CA_CA_19 trials= 700; accepts= 0.4229; energy_drop/trial= -0.01677 protocols.moves.TrialCounter: br_CA_CA_22 trials= 630; accepts= 0.4508; energy_drop/trial= -0.01147 protocols.moves.TrialCounter: br_CA_CA_25 trials= 566; accepts= 0.4576; energy_drop/trial= 0.03512 protocols.moves.TrialCounter: br_CA_CA_28 trials= 526; accepts= 0.4335; energy_drop/trial= 0.00426 protocols.moves.TrialCounter: br_CA_CA_31 trials= 387; accepts= 0.4419; energy_drop/trial= 0.00673 protocols.moves.TrialCounter: br_CA_CA_34 trials= 350; accepts= 0.5314; energy_drop/trial= 0.01009 protocols.moves.TrialCounter: sc_chi_rot trials= 2219; accepts= 0.3533; energy_drop/trial= -0.01523 protocols.moves.TrialCounter: sc_chi_unif trials= 246; accepts= 0.0122; energy_drop/trial= 0.00523 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -46.872 -46.872 fa_rep 0.550 10.654 5.860 fa_sol 1.000 39.105 39.105 fa_intra_rep 0.005 105.806 0.529 fa_intra_sol_xover4 1.000 3.837 3.837 lk_ball_wtd 1.000 -3.059 -3.059 mm_bend 1.000 5.970 5.970 fa_elec 1.000 -5.844 -5.844 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -6.124 -6.124 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.005 -1.005 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 15.311 6.124 fa_dun 0.700 35.445 24.812 p_aa_pp 0.600 -0.379 -0.228 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 16.324 7.346 --------------------------------------------------- Total weighted score: 30.784 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -50.204 -50.204 fa_rep 0.550 11.690 6.429 fa_sol 1.000 36.826 36.826 fa_intra_rep 0.005 42.450 0.212 fa_intra_sol_xover4 1.000 5.066 5.066 lk_ball_wtd 1.000 -3.666 -3.666 mm_bend 1.000 2.754 2.754 fa_elec 1.000 -9.185 -9.185 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -5.305 -5.305 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.842 -2.842 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.216 5.286 fa_dun 0.700 35.304 24.713 p_aa_pp 0.600 -0.931 -0.559 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 17.553 7.899 --------------------------------------------------- Total weighted score: 17.760 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0007 reported success in 8 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1049; accepts= 0.3947; energy_drop/trial= -0.00909 protocols.moves.TrialCounter: br_CA_CA_07 trials= 909; accepts= 0.4114; energy_drop/trial= -0.01108 protocols.moves.TrialCounter: br_CA_CA_10 trials= 875; accepts= 0.3703; energy_drop/trial= -0.00519 protocols.moves.TrialCounter: br_CA_CA_13 trials= 812; accepts= 0.3399; energy_drop/trial= 0.01073 protocols.moves.TrialCounter: br_CA_CA_16 trials= 745; accepts= 0.3960; energy_drop/trial= -0.01156 protocols.moves.TrialCounter: br_CA_CA_19 trials= 664; accepts= 0.4473; energy_drop/trial= -0.01008 protocols.moves.TrialCounter: br_CA_CA_22 trials= 617; accepts= 0.4392; energy_drop/trial= 0.00043 protocols.moves.TrialCounter: br_CA_CA_25 trials= 568; accepts= 0.4912; energy_drop/trial= 0.01338 protocols.moves.TrialCounter: br_CA_CA_28 trials= 475; accepts= 0.4232; energy_drop/trial= -0.01121 protocols.moves.TrialCounter: br_CA_CA_31 trials= 401; accepts= 0.4638; energy_drop/trial= -0.02964 protocols.moves.TrialCounter: br_CA_CA_34 trials= 365; accepts= 0.4767; energy_drop/trial= 0.01673 protocols.moves.TrialCounter: sc_chi_rot trials= 2284; accepts= 0.3511; energy_drop/trial= -0.00950 protocols.moves.TrialCounter: sc_chi_unif trials= 236; accepts= 0.0212; energy_drop/trial= -0.00258 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -48.938 -48.938 fa_rep 0.550 11.946 6.570 fa_sol 1.000 36.484 36.484 fa_intra_rep 0.005 44.075 0.220 fa_intra_sol_xover4 1.000 3.525 3.525 lk_ball_wtd 1.000 -3.374 -3.374 mm_bend 1.000 5.289 5.289 fa_elec 1.000 -4.569 -4.569 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.778 -4.778 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.097 -2.097 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 12.095 4.838 fa_dun 0.700 38.578 27.005 p_aa_pp 0.600 1.731 1.038 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 15.928 7.168 --------------------------------------------------- Total weighted score: 28.717 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -48.334 -48.334 fa_rep 0.550 14.850 8.167 fa_sol 1.000 35.822 35.822 fa_intra_rep 0.005 65.867 0.329 fa_intra_sol_xover4 1.000 3.714 3.714 lk_ball_wtd 1.000 -2.754 -2.754 mm_bend 1.000 4.881 4.881 fa_elec 1.000 -6.572 -6.572 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.564 -4.564 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.193 -2.193 hbond_sc 1.000 -0.520 -0.520 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.062 5.225 fa_dun 0.700 35.659 24.961 p_aa_pp 0.600 0.021 0.012 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 14.488 6.519 --------------------------------------------------- Total weighted score: 25.030 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0008 reported success in 9 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 976; accepts= 0.3279; energy_drop/trial= -0.00811 protocols.moves.TrialCounter: br_CA_CA_07 trials= 976; accepts= 0.3699; energy_drop/trial= -0.00678 protocols.moves.TrialCounter: br_CA_CA_10 trials= 942; accepts= 0.3386; energy_drop/trial= 0.00502 protocols.moves.TrialCounter: br_CA_CA_13 trials= 829; accepts= 0.3221; energy_drop/trial= -0.00816 protocols.moves.TrialCounter: br_CA_CA_16 trials= 764; accepts= 0.3717; energy_drop/trial= -0.00797 protocols.moves.TrialCounter: br_CA_CA_19 trials= 671; accepts= 0.4158; energy_drop/trial= 0.00760 protocols.moves.TrialCounter: br_CA_CA_22 trials= 616; accepts= 0.4123; energy_drop/trial= -0.00132 protocols.moves.TrialCounter: br_CA_CA_25 trials= 512; accepts= 0.4512; energy_drop/trial= 0.00182 protocols.moves.TrialCounter: br_CA_CA_28 trials= 502; accepts= 0.4323; energy_drop/trial= -0.02649 protocols.moves.TrialCounter: br_CA_CA_31 trials= 396; accepts= 0.4293; energy_drop/trial= 0.02286 protocols.moves.TrialCounter: br_CA_CA_34 trials= 324; accepts= 0.4506; energy_drop/trial= 0.04324 protocols.moves.TrialCounter: sc_chi_rot trials= 2253; accepts= 0.3391; energy_drop/trial= -0.02342 protocols.moves.TrialCounter: sc_chi_unif trials= 239; accepts= 0.0335; energy_drop/trial= -0.00503 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.227 -47.227 fa_rep 0.550 9.110 5.011 fa_sol 1.000 33.333 33.333 fa_intra_rep 0.005 65.898 0.329 fa_intra_sol_xover4 1.000 3.376 3.376 lk_ball_wtd 1.000 -3.265 -3.265 mm_bend 1.000 5.987 5.987 fa_elec 1.000 -2.410 -2.410 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -2.338 -2.338 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.611 -1.611 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.613 5.445 fa_dun 0.700 35.509 24.857 p_aa_pp 0.600 -0.966 -0.580 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 4.635 2.086 --------------------------------------------------- Total weighted score: 23.328 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -45.876 -45.876 fa_rep 0.550 7.959 4.378 fa_sol 1.000 31.682 31.682 fa_intra_rep 0.005 63.928 0.320 fa_intra_sol_xover4 1.000 2.746 2.746 lk_ball_wtd 1.000 -3.966 -3.966 mm_bend 1.000 4.345 4.345 fa_elec 1.000 -3.483 -3.483 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -3.321 -3.321 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.036 -2.036 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 14.895 5.958 fa_dun 0.700 31.045 21.732 p_aa_pp 0.600 0.115 0.069 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 0.748 0.337 --------------------------------------------------- Total weighted score: 13.218 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0009 reported success in 8 seconds protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy /home/sziaee/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/model_stripped.pdb basic.io.database: Database file opened: sampling/branch_angle/branch_angle_1.txt basic.io.database: Database file opened: sampling/branch_angle/branch_angle_2.txt protocols.backrub.BackrubMover: Segment lengths: 3-34 atoms protocols.backrub.BackrubMover: Main chain pivot atoms: CA protocols.backrub.BackrubMover: Adding backrub segments for residues 1-16 protocols.backrub.BackrubMover: Total Segments Added: 110 protocols.backrub.BackrubProtocol: Score After PDB Load: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -43.898 -43.898 fa_rep 0.550 3.383 1.861 fa_sol 1.000 39.081 39.081 fa_intra_rep 0.005 593.872 2.969 fa_intra_sol_xover4 1.000 7.389 7.389 lk_ball_wtd 1.000 -2.315 -2.315 mm_bend 1.000 24.108 24.108 fa_elec 1.000 -6.826 -6.826 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.770 -1.770 hbond_sc 1.000 -1.219 -1.219 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 103.301 protocols.backrub.BackrubProtocol: Score After Branch Angle Optimization/Side Chain Idealization: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -47.122 -47.122 fa_rep 0.550 11.050 6.078 fa_sol 1.000 40.199 40.199 fa_intra_rep 0.005 45.672 0.228 fa_intra_sol_xover4 1.000 8.145 8.145 lk_ball_wtd 1.000 -2.107 -2.107 mm_bend 1.000 6.949 6.949 fa_elec 1.000 -7.538 -7.538 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -1.265 -1.265 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -3.084 -3.084 hbond_sc 1.000 -0.677 -0.677 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.637 5.455 fa_dun 0.700 90.019 63.013 p_aa_pp 0.600 1.789 1.073 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 34.023 15.310 --------------------------------------------------- Total weighted score: 84.994 core.pack.task: Packer task: initialize from command line() protocols.backrub.BackrubProtocol: Running 10000 trials... protocols.moves.TrialCounter: br_CA_CA_04 trials= 1039; accepts= 0.3503; energy_drop/trial= 0.00419 protocols.moves.TrialCounter: br_CA_CA_07 trials= 927; accepts= 0.3711; energy_drop/trial= -0.00546 protocols.moves.TrialCounter: br_CA_CA_10 trials= 885; accepts= 0.3910; energy_drop/trial= 0.00933 protocols.moves.TrialCounter: br_CA_CA_13 trials= 876; accepts= 0.3493; energy_drop/trial= -0.00234 protocols.moves.TrialCounter: br_CA_CA_16 trials= 739; accepts= 0.3938; energy_drop/trial= -0.00959 protocols.moves.TrialCounter: br_CA_CA_19 trials= 661; accepts= 0.4372; energy_drop/trial= -0.00287 protocols.moves.TrialCounter: br_CA_CA_22 trials= 628; accepts= 0.4379; energy_drop/trial= 0.02042 protocols.moves.TrialCounter: br_CA_CA_25 trials= 547; accepts= 0.5027; energy_drop/trial= 0.01747 protocols.moves.TrialCounter: br_CA_CA_28 trials= 467; accepts= 0.4604; energy_drop/trial= -0.05123 protocols.moves.TrialCounter: br_CA_CA_31 trials= 406; accepts= 0.4631; energy_drop/trial= -0.03079 protocols.moves.TrialCounter: br_CA_CA_34 trials= 338; accepts= 0.5118; energy_drop/trial= -0.02538 protocols.moves.TrialCounter: sc_chi_rot trials= 2249; accepts= 0.3659; energy_drop/trial= -0.01610 protocols.moves.TrialCounter: sc_chi_unif trials= 238; accepts= 0.0252; energy_drop/trial= 0.01503 protocols.backrub.BackrubProtocol: Last Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -44.761 -44.761 fa_rep 0.550 8.526 4.689 fa_sol 1.000 32.529 32.529 fa_intra_rep 0.005 41.822 0.209 fa_intra_sol_xover4 1.000 4.216 4.216 lk_ball_wtd 1.000 -3.332 -3.332 mm_bend 1.000 6.353 6.353 fa_elec 1.000 -2.453 -2.453 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -2.318 -2.318 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -2.917 -2.917 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 13.238 5.295 fa_dun 0.700 35.962 25.173 p_aa_pp 0.600 -0.734 -0.441 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 8.158 3.671 --------------------------------------------------- Total weighted score: 26.249 protocols.backrub.BackrubProtocol: Low Score: protocols.backrub.BackrubProtocol: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -48.259 -48.259 fa_rep 0.550 8.912 4.901 fa_sol 1.000 33.237 33.237 fa_intra_rep 0.005 47.439 0.237 fa_intra_sol_xover4 1.000 3.318 3.318 lk_ball_wtd 1.000 -3.196 -3.196 mm_bend 1.000 3.388 3.388 fa_elec 1.000 -2.135 -2.135 pro_close 1.250 0.000 0.000 hbond_sr_bb 1.000 -4.012 -4.012 hbond_lr_bb 1.000 0.000 0.000 hbond_bb_sc 1.000 -1.482 -1.482 hbond_sc 1.000 0.000 0.000 dslf_fa13 1.250 0.000 0.000 omega 0.400 14.015 5.606 fa_dun 0.700 30.724 21.507 p_aa_pp 0.600 -2.305 -1.383 yhh_planarity 0.625 0.000 0.000 ref 1.000 0.335 0.335 rama_prepro 0.450 7.236 3.256 --------------------------------------------------- Total weighted score: 15.318 protocols.backrub.BackrubProtocol: Setting pose to be lowest scoring sampled model protocols.jd2.JobDistributor: model_stripped_0001model_stripped_0010 reported success in 9 seconds protocols.jd2.JobDistributor: no more batches to process... protocols.jd2.JobDistributor: 10 jobs considered, 10 jobs attempted in 87 seconds