<ROSETTASCRIPTS> <SCOREFXNS> <ScoreFunction name="scorefxn_full" weights="ref2015" symmetric="1"> <Reweight scoretype="coordinate_constraint" weight="0.1"/> <Reweight scoretype="res_type_constraint" weight="0"/> </ScoreFunction> </SCOREFXNS> <RESIDUE_SELECTORS> <Index name="ress_fix" resnums="101A,103A,116A,156A,154A,72A,121A,68A,56A,63A,66A,1X"/> </RESIDUE_SELECTORS> <TASKOPERATIONS> <InitializeFromCommandline name="init"/> <DesignAround name="des_around" design_shell="0.1" resnums="%%current_res%%" repack_shell="8.0"/> <SeqprofConsensus name="pssm_cutoff" filename="5k21.pssm" min_aa_probability="-2" probability_larger_than_current="0" convert_scores_to_probabilities="0" keep_native="1" debug="1" ignore_pose_profile_length_mismatch="1" chain_num="1"/> <OperateOnResidueSubset name="fix_res" selector="ress_fix"> <PreventRepackingRLT/> </OperateOnResidueSubset> <OperateOnResidueSubset name="not_to_cst_sc"> <Not selector="ress_fix"/> <PreventRepackingRLT/> </OperateOnResidueSubset> </TASKOPERATIONS> <MOVERS> <SetupForSymmetry name="setup_symm" definition="5k21.sym"/> <AtomCoordinateCstMover name="fix_res_sc_cst" coord_dev="0.5" bounded="false" sidechain="true" task_operations="not_to_cst_sc"/> <ConstraintSetMover name="add_CA_cst" cst_file="5k21.cst"/> <FavorSequenceProfile name="FSP" scaling="none" weight="1" pssm="5k21.pssm" scorefxns="scorefxn_full" /> <MinMover name="min_all" scorefxn="scorefxn_full" chi="1" bb="1" jump="0"/> </MOVERS> <FILTERS> <ScoreType name="stability_score_full" scorefxn="scorefxn_full" score_type="total_score" threshold="0.0"/> <Delta name="delta_score_full" filter="stability_score_full" upper="1" lower="0" range="0.5"/> <FilterScan name="filter_scan" scorefxn="scorefxn_full" relax_mover="min_all" keep_native="1" task_operations="init,des_around,pssm_cutoff,fix_res" delta_filters="delta_score_full" delta="true" resfile_name="resfiles/res_%%current_res%%" report_all="1" delta_filter_thresholds="0.0,0.5,1.0,1.5,2.0,2.5,3.0,3.5,4.0,4.5,5.0,5.5,6.0" score_log_file="scores/res%%current_res%%_score_full.log" dump_pdb="1" dump_pdb_name="/dev/null"/> </FILTERS> <PROTOCOLS> <Add mover_name="setup_symm"/> <Add mover_name="add_CA_cst"/> <Add mover_name="fix_res_sc_cst"/> <Add mover="FSP"/> <Add filter="filter_scan"/> </PROTOCOLS> <OUTPUT scorefxn="scorefxn_full"/> </ROSETTASCRIPTS>