core.init: Rosetta version unknown:exported from http://www.rosettacommons.org core.init: command: /home/lulab/Julian/rosetta_src_2016.28.58794_bundle/main/source/bin/rosetta_scripts.linuxgccrelease -s Mb_b5_0b.pdb -parser:protocol design2.xml -extra_res_fa HEM.params core.init: 'RNG device' seed mode, using '/dev/urandom', seed=1896306981 seed_offset=0 real_seed=1896306981 core.init.random: RandomGenerator:init: Normal mode, seed=1896306981 RG_type=mt19937 core.init: Resolved executable path: /home/lulab/Julian/rosetta_src_2016.28.58794_bundle/main/source/build/src/release/linux/3.2/64/x86/gcc/4.7/default/rosetta_scripts.default.linuxgccrelease core.init: Looking for database based on location of executable: /home/lulab/Julian/rosetta_src_2016.28.58794_bundle/main/database/ protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: pushed Mb_b5_0b.pdb nstruct index 1 protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... protocols.jd2.JobDistributor: Parser is present. Input mover will be overwritten with whatever the parser creates. protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from PDB Mb_b5_0b.pdb core.chemical.ResidueTypeSet: Finished initializing fa_standard residue type set. Created 388 residue types core.chemical.ResidueTypeSet: Total time to initialize 0.89 seconds. core.io.pose_from_sfr.chirality_resolution: Flipping atom xyz for H21 and H22 for residue HEM protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=design2.xml protocols.rosetta_scripts.RosettaScriptsParser: Parsed script: core.scoring.ScoreFunctionFactory: SCOREFUNCTION: talaris2014 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/sp2_elec_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 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 basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp basic.io.database: Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine core.scoring.etable: Using alternate parameters: LJ_RADIUS_SOFT in Etable construction. 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/InterchainPotential/interchain_env_log.txt basic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt protocols.jd2.parser.ScoreFunctionLoader: defined score function "tala" with weights "talaris2014" defined score function "tala_soft" with weights "soft_rep" protocols.jd2.parser.TaskOperationLoader: Defined TaskOperation named "no_mutate_important" of type RestrictResiduesToRepacking protocols.jd2.parser.TaskOperationLoader: Defined TaskOperation named "design_interface" of type RestrictToInterface protocols.simple_filters.ShapeComplementarityFilter: Structures with shape complementarity < 0.4, interface area < 0 A^2 will be filtered. protocols.rosetta_scripts.RosettaScriptsParser: Defined filter named "sc_filt" of type ShapeComplementarity protocols.filters.PackStatFilter: Structures with packstat score 0.5 will be filtred. protocols.rosetta_scripts.RosettaScriptsParser: Defined filter named "pack_filt" of type PackStat protocols.rosetta_scripts.RosettaScriptsParser: Defined filter named "sasa_filt" of type Sasa protocols.simple_filters.BuriedUnsatHbondFilter: Buried Unsatisfied Hbond filter over jump number 1 with cutoff 50 protocols.rosetta_scripts.RosettaScriptsParser: Defined filter named "BUH_filt" of type BuriedUnsatHbonds protocols.rosetta_scripts.RosettaScriptsParser: Defined filter named "expF_filt" of type ExposedHydrophobics core.mm.MMBondAngleLibrary: MM bond angle sets added fully assigned: 588; wildcard: 0 and 1 virtual parameter. protocols.protein_interface_design.BackrubDDMover: backrub mover over residues: protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "move_b5" of type BackrubDD protocols.RosettaScripts.util: Object pack reading the following task_operations: Adding the following task operations no_mutate_important design_interface protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "pack" of type PackRotamersMover protocols.relax.FastRelax: ================== Using default script ================== protocols.RosettaScripts.util: Object design reading the following task_operations: Adding the following task operations no_mutate_important design_interface protocols.relax.FastRelax: ================== Using default script ================== protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "design" of type FastDesign protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: added mover "move_b5" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: added mover "NULL_MOVER" with filter "BUH_filt" protocols.rosetta_scripts.ParsedProtocol: added mover "NULL_MOVER" with filter "pack_filt" protocols.rosetta_scripts.ParsedProtocol: added mover "NULL_MOVER" with filter "expF_filt" protocols.rosetta_scripts.ParsedProtocol: added mover "NULL_MOVER" with filter "sasa_filt" protocols::checkpoint: Deleting checkpoints of FastRelax protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from saved copy Mb_b5_0b.pdb protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER BackrubDD - move_b5======================= core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/home/lulab/Julian/rosetta_src_2016.28.58794_bundle/main/database/rotamer/ExtendedOpt1-5/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.57 seconds to load from binary 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 1-241 protocols.backrub.BackrubMover: Total Segments Added: 2391 protocols.protein_interface_design.BackrubDDMover: Backrub Segments Added: 2391 Score After PDB Load: protocols.protein_interface_design.BackrubDDMover: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -1342.264 -1342.264 fa_rep 0.550 29764.602 16370.531 fa_sol 0.938 810.901 760.219 fa_intra_rep 0.005 791.642 3.958 mm_bend 1.000 324.279 324.279 fa_elec 0.875 -134.131 -117.365 pro_close 1.250 1.771 2.213 hbond_sr_bb 1.170 -86.135 -100.778 hbond_lr_bb 1.170 -12.709 -14.870 hbond_bb_sc 1.170 -15.839 -18.532 hbond_sc 1.100 -18.390 -20.229 dslf_fa13 1.250 0.000 0.000 rama 0.250 -99.167 -24.792 omega 0.625 50.348 31.467 fa_dun 0.700 585.616 409.931 p_aa_pp 0.400 -58.447 -23.379 yhh_planarity 0.625 0.900 0.563 ref 1.000 -11.728 -11.728 --------------------------------------------------- Total weighted score: 16229.226 Score After Branch Angle Optimization/Side Chain Idealization: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -1333.462 -1333.462 fa_rep 0.550 29462.868 16204.577 fa_sol 0.938 810.074 759.445 fa_intra_rep 0.005 875.050 4.375 mm_bend 1.000 141.883 141.883 fa_elec 0.875 -124.839 -109.234 pro_close 1.250 1.771 2.213 hbond_sr_bb 1.170 -86.135 -100.778 hbond_lr_bb 1.170 -12.709 -14.870 hbond_bb_sc 1.170 -13.977 -16.353 hbond_sc 1.100 -13.441 -14.785 dslf_fa13 1.250 0.000 0.000 rama 0.250 -99.167 -24.792 omega 0.625 50.348 31.467 fa_dun 0.700 585.616 409.931 p_aa_pp 0.400 -58.447 -23.379 yhh_planarity 0.625 0.900 0.563 ref 1.000 -11.728 -11.728 --------------------------------------------------- Total weighted score: 15905.073 Running 1000 trials... core.pack.task: Packer task: initialize from command line() protocols.moves.TrialCounter: br_CA_CA_04 trials= 74; accepts= 0.3514; energy_drop/trial= -7.55928 protocols.moves.TrialCounter: br_CA_CA_07 trials= 68; accepts= 0.2353; energy_drop/trial= -5.32093 protocols.moves.TrialCounter: br_CA_CA_10 trials= 76; accepts= 0.3947; energy_drop/trial= -15.32603 protocols.moves.TrialCounter: br_CA_CA_13 trials= 60; accepts= 0.2333; energy_drop/trial= -6.03089 protocols.moves.TrialCounter: br_CA_CA_16 trials= 61; accepts= 0.1475; energy_drop/trial= -3.73142 protocols.moves.TrialCounter: br_CA_CA_19 trials= 75; accepts= 0.2800; energy_drop/trial= -21.08610 protocols.moves.TrialCounter: br_CA_CA_22 trials= 66; accepts= 0.3030; energy_drop/trial= -28.56917 protocols.moves.TrialCounter: br_CA_CA_25 trials= 62; accepts= 0.2742; energy_drop/trial= -13.78009 protocols.moves.TrialCounter: br_CA_CA_28 trials= 81; accepts= 0.2099; energy_drop/trial= -25.26745 protocols.moves.TrialCounter: br_CA_CA_31 trials= 69; accepts= 0.1884; energy_drop/trial= -1.44839 protocols.moves.TrialCounter: br_CA_CA_34 trials= 66; accepts= 0.2273; energy_drop/trial= -28.49094 protocols.moves.TrialCounter: sc_chi_rot trials= 220; accepts= 0.3182; energy_drop/trial= -4.41368 protocols.moves.TrialCounter: sc_chi_unif trials= 22; accepts= 0.0455; energy_drop/trial= -3.91631 protocols.protein_interface_design.BackrubDDMover: Last Score: protocols.protein_interface_design.BackrubDDMover: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -1315.125 -1315.125 fa_rep 0.550 7366.748 4051.711 fa_sol 0.938 789.517 740.172 fa_intra_rep 0.005 889.849 4.449 mm_bend 1.000 149.144 149.144 fa_elec 0.875 -102.466 -89.658 pro_close 1.250 1.771 2.213 hbond_sr_bb 1.170 -76.649 -89.679 hbond_lr_bb 1.170 -5.739 -6.715 hbond_bb_sc 1.170 -7.372 -8.625 hbond_sc 1.100 -10.377 -11.415 dslf_fa13 1.250 0.000 0.000 rama 0.250 -71.180 -17.795 omega 0.625 50.348 31.467 fa_dun 0.700 592.550 414.785 p_aa_pp 0.400 -49.280 -19.712 yhh_planarity 0.625 0.900 0.563 ref 1.000 -11.728 -11.728 --------------------------------------------------- Total weighted score: 3824.053 Low Score: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -1315.125 -1315.125 fa_rep 0.550 7366.748 4051.711 fa_sol 0.938 789.517 740.172 fa_intra_rep 0.005 889.849 4.449 mm_bend 1.000 149.144 149.144 fa_elec 0.875 -102.466 -89.658 pro_close 1.250 1.771 2.213 hbond_sr_bb 1.170 -76.649 -89.679 hbond_lr_bb 1.170 -5.739 -6.715 hbond_bb_sc 1.170 -7.372 -8.625 hbond_sc 1.100 -10.377 -11.415 dslf_fa13 1.250 0.000 0.000 rama 0.250 -71.180 -17.795 omega 0.625 50.348 31.467 fa_dun 0.700 592.550 414.785 p_aa_pp 0.400 -49.280 -19.712 yhh_planarity 0.625 0.900 0.563 ref 1.000 -11.728 -11.728 --------------------------------------------------- Total weighted score: 3824.053 protocols.simple_moves.BBGaussianMover: Final factorA=0.5 protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER ======================= protocols.rosetta_scripts.ParsedProtocol: =======================END FILTER ======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER NullMover - NULL_MOVER======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER BUH_filt======================= core.scoring.ScoreFunctionFactory: SCOREFUNCTION: talaris2014 protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.simple_filters.BuriedUnsatHbondFilter: BOUND: [0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 4, 1, 3, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 2, 0, 1, 1, 1, 2, 0, 0, 1, 0, 0, 0, 1, 1, 1, 2, 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 2, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 1] protocols.simple_filters.BuriedUnsatHbondFilter: unbound_unsat=59 bound_unsat=83 protocols.simple_filters.BuriedUnsatHbondFilter: UNBOUND: [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 2, 1, 2, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 0] protocols.simple_filters.BuriedUnsatHbondFilter: # unsatisfied hbonds: 24. passing. protocols.rosetta_scripts.ParsedProtocol: =======================END FILTER BUH_filt======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER NullMover - NULL_MOVER======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER pack_filt======================= protocols.filters.PackStatFilter: repeat 1: packscore: 0.526427 protocols.filters.PackStatFilter: Successfully filtered: 0.526427 protocols.rosetta_scripts.ParsedProtocol: =======================END FILTER pack_filt======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER NullMover - NULL_MOVER======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER expF_filt======================= protocols.DsspMover: LLLLLEELHHHHHHLEELLEEEEEELLEEEELHHHHLLLLLLLHHHHHHLLLELHHHHHLLLLLHHHHHHHHHLEEEEELHHHHHHLLLLLHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHLHHHHHHLLLLLLLLLHHHHHHLHHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHHHHHLLLLLLHHHHHHHHHHHHHHHHHHLHHHLLHHHHHHHHHHHHHHHHHHHHHHHHHLLLLL protocols.denovo_design.ExposedHydrophobicsFilter: ExposedHydrophobics value=2025.26 protocols.rosetta_scripts.ParsedProtocol: =======================END FILTER expF_filt======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER NullMover - NULL_MOVER======================= protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER sasa_filt======================= protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.simple_filters.InterfaceSasaFilter: sasa is 3168.94. passing. protocols.rosetta_scripts.ParsedProtocol: =======================END FILTER sasa_filt======================= protocols.rosetta_scripts.ParsedProtocol: setting status to success core.scoring.ScoreFunctionFactory: SCOREFUNCTION: talaris2014 protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.simple_filters.BuriedUnsatHbondFilter: BOUND: [0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 4, 1, 3, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 2, 0, 1, 1, 1, 2, 0, 0, 1, 0, 0, 0, 1, 1, 1, 2, 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 2, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 1] protocols.simple_filters.BuriedUnsatHbondFilter: unbound_unsat=59 bound_unsat=83 protocols.simple_filters.BuriedUnsatHbondFilter: UNBOUND: [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 2, 1, 2, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 0] protocols.filters.PackStatFilter: repeat 1: packscore: 0.489684 protocols.DsspMover: LLLLLEELHHHHHHLEELLEEEEEELLEEEELHHHHLLLLLLLHHHHHHLLLELHHHHHLLLLLHHHHHHHHHLEEEEELHHHHHHLLLLLHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHLHHHHHHLLLLLLLLLHHHHHHLHHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHHHHHLLLLLLHHHHHHHHHHHHHHHHHHLHHHLLHHHHHHHHHHHHHHHHHHHHHHHHHLLLLL protocols.denovo_design.ExposedHydrophobicsFilter: ExposedHydrophobics value=2025.26 protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.rosetta_scripts.ParsedProtocol.REPORT: ============Begin report for ================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============End report for ================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============Begin report for BUH_filt================== core.scoring.ScoreFunctionFactory: SCOREFUNCTION: talaris2014 protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.simple_filters.BuriedUnsatHbondFilter: BOUND: [0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 4, 1, 3, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 2, 0, 1, 1, 1, 2, 0, 0, 1, 0, 0, 0, 1, 1, 1, 2, 0, 1, 0, 1, 1, 2, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 2, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 1] protocols.simple_filters.BuriedUnsatHbondFilter: unbound_unsat=59 bound_unsat=83 protocols.simple_filters.BuriedUnsatHbondFilter: UNBOUND: [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 1, 2, 2, 2, 1, 2, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 0] protocols.rosetta_scripts.ParsedProtocol.REPORT: # unsatisfied hbonds: 24 ============End report for BUH_filt================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============Begin report for pack_filt================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============End report for pack_filt================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============Begin report for expF_filt================== protocols.DsspMover: LLLLLEELHHHHHHLEELLEEEEEELLEEEELHHHHLLLLLLLHHHHHHLLLELHHHHHLLLLLHHHHHHHHHLEEEEELHHHHHHLLLLLHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHLHHHHHHLLLLLLLLLHHHHHHLHHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHHHHHLLLLLLHHHHHHHHHHHHHHHHHHLHHHLLHHHHHHHHHHHHHHHHHHHHHHHHHLLLLL protocols.denovo_design.ExposedHydrophobicsFilter: ExposedHydrophobics value=2025.26 protocols.rosetta_scripts.ParsedProtocol.REPORT: ExposedHydrophobicsFilter returning 2025.26 protocols.rosetta_scripts.ParsedProtocol.REPORT: ============End report for expF_filt================== protocols.rosetta_scripts.ParsedProtocol.REPORT: ============Begin report for sasa_filt================== protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 18.0343 -37.6676 -17.122 protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.247274 0.891413 0.379788 0.968937 0.225816 0.100838 0.00412592 0.392925 -0.919561 -476.836 -877.021 -242.041 protocols.rosetta_scripts.ParsedProtocol.REPORT: Sasa= 3168.94 ============End report for sasa_filt================== protocols.jd2.JobDistributor: Mb_b5_0b_0001 reported success in 63 seconds protocols.jd2.JobDistributor: no more batches to process... protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 63 seconds