

<ROSETTASCRIPTS>

 ## xml from predictor_v11_boinc.xml


    <SCOREFXNS>
        <ScoreFunction name="PRED_sfxn_soft" weights="beta_nov16_soft" />
        <ScoreFunction name="PRED_sfxn_design" weights="beta_nov16" >
            # lk_ball is slooooooooooow
            <Reweight scoretype="lk_ball" weight="0" />
            <Reweight scoretype="lk_ball_iso" weight="0" />
            <Reweight scoretype="lk_ball_bridge" weight="0" />
            <Reweight scoretype="lk_ball_bridge_uncpl" weight="0" />

            # turn off the next slowest parts of the score function
            Set etable_no_hydrogens="true" />
            <Reweight scoretype="fa_elec" weight="0" />
            <Reweight scoretype="fa_intra_atr_xover4" weight="0" />
            <Reweight scoretype="fa_intra_rep_xover4" weight="0" />
            <Reweight scoretype="fa_intra_sol_xover4" weight="0" />
            <Reweight scoretype="fa_intra_elec" weight="0" />

        </ScoreFunction>
        <ScoreFunction name="PRED_sfxn" weights="beta_nov16" >
        </ScoreFunction>
        <ScoreFunction name="PRED_sfxn_softish" weights="beta_nov16" >
            <Reweight scoretype="fa_rep" weight="0.15" />
        </ScoreFunction>
        <ScoreFunction name="PRED_sfxn_fa_atr" weights="empty" >
            <Reweight scoretype="fa_atr" weight="1" />
        </ScoreFunction>
        <ScoreFunction name="PRED_vdw_sol" weights="empty" >
            <Reweight scoretype="fa_atr" weight="1.0" />
            <Reweight scoretype="fa_rep" weight="0.55" />
            <Reweight scoretype="fa_sol" weight="1.0" />
        </ScoreFunction>
        
    </SCOREFXNS>
    <RESIDUE_SELECTORS>
        <Chain name="PRED_chainA" chains="A"/>
        <Chain name="PRED_chainB" chains="B"/>
        <Neighborhood name="PRED_interface_chA" selector="PRED_chainB" distance="8.0" />
        <Neighborhood name="PRED_interface_chB" selector="PRED_chainA" distance="8.0" />
        <And name="PRED_AB_interface" selectors="PRED_interface_chA,PRED_interface_chB" />
        <Not name="PRED_Not_interface" selector="PRED_AB_interface" />
        <And name="PRED_actual_interface_chB" selectors="PRED_AB_interface,PRED_chainB" />
        <And name="PRED_not_interface_chB" selectors="PRED_Not_interface,PRED_actual_interface_chB" />

        <ResidueName name="PRED_apolar" residue_name3="ALA,CYS,PHE,ILE,LEU,MET,THR,PRO,VAL,TRP,TYR" />
        <Not name="PRED_polar" selector="PRED_apolar" />


        <ResidueName name="PRED_pro_and_gly_positions" residue_name3="PRO,GLY" />

        <Slice name="PRED_patchdock_res" indices="%%patchdock_res%%" selector="PRED_chainB" />
        <ResiduePDBInfoHasLabel name="PRED_HOTSPOT_res" property="HOTSPOT" />
    </RESIDUE_SELECTORS>


    <RESIDUE_SELECTORS>
        <!-- Layer Design -->
        <Layer name="PRED_surface" select_core="false" select_boundary="false" select_surface="true" use_sidechain_neighbors="true"/>
        <Layer name="PRED_boundary" select_core="false" select_boundary="true" select_surface="false" use_sidechain_neighbors="true"/>
        <Layer name="PRED_core" select_core="true" select_boundary="false" select_surface="false" use_sidechain_neighbors="true"/>
        <SecondaryStructure name="PRED_sheet" overlap="0" minH="3" minE="2" include_terminal_loops="false" use_dssp="true" ss="E"/>
        <SecondaryStructure name="PRED_entire_loop" overlap="0" minH="3" minE="2" include_terminal_loops="true" use_dssp="true" ss="L"/>
        <SecondaryStructure name="PRED_entire_helix" overlap="0" minH="3" minE="2" include_terminal_loops="false" use_dssp="true" ss="H"/>
        <And name="PRED_helix_cap" selectors="PRED_entire_loop">
            <PrimarySequenceNeighborhood lower="1" upper="0" selector="PRED_entire_helix"/>
        </And>
        <And name="PRED_helix_start" selectors="PRED_entire_helix">
            <PrimarySequenceNeighborhood lower="0" upper="1" selector="PRED_helix_cap"/>
        </And>
        <And name="PRED_helix" selectors="PRED_entire_helix">
            <Not selector="PRED_helix_start"/>
        </And>
        <And name="PRED_loop" selectors="PRED_entire_loop">
            <Not selector="PRED_helix_cap"/>
        </And>

    </RESIDUE_SELECTORS>

    <TASKOPERATIONS>        
        <DesignRestrictions name="PRED_layer_design_no_core_polars">
            <Action selector_logic="PRED_surface AND PRED_helix_start"  aas="DEHKPQR"/>
            <Action selector_logic="PRED_surface AND PRED_helix"        aas="EHKQR"/>
            <Action selector_logic="PRED_surface AND PRED_sheet"        aas="EHKNQRST"/>
            <Action selector_logic="PRED_surface AND PRED_loop"         aas="DEGHKNPQRST"/>
            <Action selector_logic="PRED_boundary AND PRED_helix_start" aas="ADEHIKLNPQRSTVWY"/>
            <Action selector_logic="PRED_boundary AND PRED_helix"       aas="ADEHIKLNQRSTVWY"/>
            <Action selector_logic="PRED_boundary AND PRED_sheet"       aas="DEFHIKLNQRSTVWY"/>
            <Action selector_logic="PRED_boundary AND PRED_loop"        aas="ADEFGHIKLNPQRSTVWY"/>
            <Action selector_logic="PRED_core AND PRED_helix_start"     aas="AFILMPVWY"/>
            <Action selector_logic="PRED_core AND PRED_helix"           aas="AFILVWY"/>
            <Action selector_logic="PRED_core AND PRED_sheet"           aas="FILVWY"/>
            <Action selector_logic="PRED_core AND PRED_loop"            aas="AFGILPVWY"/>
            <Action selector_logic="PRED_helix_cap"                aas="DNST"/>
        </DesignRestrictions>
    </TASKOPERATIONS>


    <TASKOPERATIONS>
        <ProteinProteinInterfaceUpweighter name="PRED_upweight_interface" interface_weight="3" />
        <ProteinInterfaceDesign name="PRED_pack_long" design_chain1="0" design_chain2="0" jump="1" interface_distance_cutoff="15"/>
        <InitializeFromCommandline name="PRED_init" />
        <IncludeCurrent name="PRED_current" />
        <LimitAromaChi2 name="PRED_limitchi2" chi2max="110" chi2min="70" include_trp="True" />
        <ExtraRotamersGeneric name="PRED_ex1_ex2" ex1="1" ex2="1" />


        <OperateOnResidueSubset name="PRED_restrict_target_not_interface" selector="PRED_not_interface_chB">
            <PreventRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="PRED_restrict_to_interface" selector="PRED_Not_interface">
            <PreventRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="PRED_restrict_target2repacking" selector="PRED_chainB">
            <RestrictToRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="PRED_restrict_hotspots2repacking" selector="PRED_HOTSPOT_res">
            <RestrictToRepackingRLT/>
        </OperateOnResidueSubset>

        <DisallowIfNonnative name="PRED_disallow_GLY" resnum="0" disallow_aas="G" />
        <DisallowIfNonnative name="PRED_disallow_PRO" resnum="0" disallow_aas="P" />
        <SelectBySASA name="PRED_PR_monomer_core" mode="sc" state="monomer" probe_radius="2.2" core_asa="10" surface_asa="10" core="0" boundary="1" surface="1" verbose="0" />

        <OperateOnResidueSubset name="PRED_restrict_PRO_GLY" selector="PRED_pro_and_gly_positions">
            <PreventRepackingRLT/>
        </OperateOnResidueSubset>


    </TASKOPERATIONS>
    <MOVERS>


        <SwitchChainOrder name="PRED_chain1onlypre" chain_order="1" />
        <ScoreMover name="PRED_scorepose" scorefxn="PRED_sfxn" verbose="false" />
        <ParsedProtocol name="PRED_chain1only">
            <Add mover="PRED_chain1onlypre" />
            <Add mover="PRED_scorepose" />
        </ParsedProtocol>
        <TaskAwareMinMover name="PRED_min" scorefxn="PRED_sfxn" bb="0" chi="1" task_operations="PRED_pack_long" />

        <DeleteRegionMover name="PRED_delete_polar" residue_selector="PRED_polar" rechain="false" />


    </MOVERS>
    <FILTERS>
        
        <Sasa name="PRED_interface_buried_sasa" confidence="0" />
        <Ddg name="PRED_ddg_norepack"  threshold="0" jump="1" repeats="1" repack="0" relax_mover="PRED_min" confidence="0" scorefxn="PRED_sfxn" />
        <ShapeComplementarity name="PRED_interface_sc" verbose="0" min_sc="0.55" write_int_area="1" write_median_dist="1" jump="1" confidence="0"/>

        
        ### score function monomer terms
        <ScoreType name="PRED_total_score_MBF" scorefxn="PRED_sfxn" score_type="total_score" threshold="0" confidence="0" />
        <MoveBeforeFilter name="PRED_total_score_monomer" mover="PRED_chain1only" filter="PRED_total_score_MBF" confidence="0" />
        <ResidueCount name="PRED_res_count_MBF" max_residue_count="9999" confidence="0"/>
        <MoveBeforeFilter name="PRED_res_count_monomer" mover="PRED_chain1only" filter="PRED_res_count_MBF" confidence="0" />

           
        <CalculatorFilter name="PRED_score_per_res" equation="total_score_monomer / res" threshold="-3.5" confidence="0">
            <Var name="total_score_monomer" filter="PRED_total_score_monomer"/>
            <Var name="res" filter="PRED_res_count_monomer"/>
        </CalculatorFilter>

        
        <InterfaceHydrophobicResidueContacts name="PRED_hydrophobic_residue_contacts" target_selector="PRED_chainB" binder_selector="PRED_chainA" scorefxn="PRED_sfxn_soft" confidence="0"/> 


        <Ddg name="PRED_ddg_hydrophobic_pre"  threshold="-10" jump="1" repeats="1" repack="0" confidence="0" scorefxn="PRED_vdw_sol" />
        <MoveBeforeFilter name="PRED_ddg_hydrophobic" mover="PRED_delete_polar" filter="PRED_ddg_hydrophobic_pre" confidence="0"/>


        <ContactMolecularSurface name="PRED_contact_molecular_surface" distance_weight="0.5" target_selector="PRED_chainA" binder_selector="PRED_chainB" confidence="0" />
        <ContactMolecularSurface name="PRED_contact_patch" distance_weight="0.5" target_selector="PRED_patchdock_res" binder_selector="PRED_chainA" confidence="0" />

    </FILTERS>


    <MOVERS>


        <PackRotamersMover name="PRED_hard_pack" scorefxn="PRED_sfxn_design" task_operations="PRED_current,PRED_layer_design_no_core_polars,PRED_restrict_to_interface,PRED_restrict_target2repacking,PRED_restrict_hotspots2repacking,PRED_disallow_GLY,PRED_disallow_PRO,PRED_PR_monomer_core,PRED_restrict_PRO_GLY,PRED_ex1_ex2,PRED_limitchi2,PRED_upweight_interface"/>

       <TaskAwareMinMover name="PRED_softish_min" scorefxn="PRED_sfxn_softish" chi="1" bb="1" jump="1" tolerance="0.01" cartesian="false" task_operations="PRED_restrict_target_not_interface,PRED_restrict_target2repacking" />

        <TaskAwareMinMover name="PRED_hard_min" scorefxn="PRED_sfxn" chi="1" bb="1" jump="1" tolerance="0.01" cartesian="false" task_operations="PRED_restrict_target_not_interface,PRED_restrict_target2repacking" />

    </MOVERS>
    <APPLY_TO_POSE>
    </APPLY_TO_POSE>
    
    <FILTERS>
        <CalculatorFilter name="predictor_filter" equation="- 1 / ( 1 + EXP( -( ddg_norepack - -34.86694 ) * -0.08060 ) ) * 1 / ( 1 + EXP( -( score_per_res - -2.90188 ) * -7.65037 ) ) * 1 / ( 1 + EXP( -( contact_molecular_surface - 307.93467 ) * 0.01057 ) ) * 1 / ( 1 + EXP( -( contact_patch - 166.96756 ) * 0.03204 ) ) " threshold="-0.0063" confidence="1">
            <Var name="ddg_norepack" filter="PRED_ddg_norepack"/>
            <Var name="score_per_res" filter="PRED_score_per_res"/>
            <Var name="contact_molecular_surface" filter="PRED_contact_molecular_surface"/>
            <Var name="contact_patch" filter="PRED_contact_patch"/>
        </CalculatorFilter>
    </FILTERS>


 ###############################################################################
 ###############################################################################
 ###############################################################################
 ###############################################################################


 ## xml from covid_at3_design_boinc_v1.xml



 #########################################################################################
   pssm section added by merge_predictor_design.py


    <FILTERS>
        <PoseComment name="has_000" comment_name="ID" comment_value="%%id000%%" comment_exists="false"/>
        <PoseComment name="has_001" comment_name="ID" comment_value="%%id001%%" comment_exists="false"/>
        <PoseComment name="has_002" comment_name="ID" comment_value="%%id002%%" comment_exists="false"/>
        <PoseComment name="has_003" comment_name="ID" comment_value="%%id003%%" comment_exists="false"/>
        <PoseComment name="has_004" comment_name="ID" comment_value="%%id004%%" comment_exists="false"/>
        <PoseComment name="has_005" comment_name="ID" comment_value="%%id005%%" comment_exists="false"/>
        <PoseComment name="has_006" comment_name="ID" comment_value="%%id006%%" comment_exists="false"/>
        <PoseComment name="has_007" comment_name="ID" comment_value="%%id007%%" comment_exists="false"/>
        <PoseComment name="has_008" comment_name="ID" comment_value="%%id008%%" comment_exists="false"/>
        <PoseComment name="has_009" comment_name="ID" comment_value="%%id009%%" comment_exists="false"/>
        <PoseComment name="has_010" comment_name="ID" comment_value="%%id010%%" comment_exists="false"/>
        <PoseComment name="has_011" comment_name="ID" comment_value="%%id011%%" comment_exists="false"/>
        <PoseComment name="has_012" comment_name="ID" comment_value="%%id012%%" comment_exists="false"/>
        <PoseComment name="has_013" comment_name="ID" comment_value="%%id013%%" comment_exists="false"/>
        <PoseComment name="has_014" comment_name="ID" comment_value="%%id014%%" comment_exists="false"/>
        <PoseComment name="has_015" comment_name="ID" comment_value="%%id015%%" comment_exists="false"/>
        <PoseComment name="has_016" comment_name="ID" comment_value="%%id016%%" comment_exists="false"/>
        <PoseComment name="has_017" comment_name="ID" comment_value="%%id017%%" comment_exists="false"/>
        <PoseComment name="has_018" comment_name="ID" comment_value="%%id018%%" comment_exists="false"/>
        <PoseComment name="has_019" comment_name="ID" comment_value="%%id019%%" comment_exists="false"/>
        <PoseComment name="has_020" comment_name="ID" comment_value="%%id020%%" comment_exists="false"/>
        <PoseComment name="has_021" comment_name="ID" comment_value="%%id021%%" comment_exists="false"/>
        <PoseComment name="has_022" comment_name="ID" comment_value="%%id022%%" comment_exists="false"/>
        <PoseComment name="has_023" comment_name="ID" comment_value="%%id023%%" comment_exists="false"/>
        <PoseComment name="has_024" comment_name="ID" comment_value="%%id024%%" comment_exists="false"/>
        <PoseComment name="has_025" comment_name="ID" comment_value="%%id025%%" comment_exists="false"/>
        <PoseComment name="has_026" comment_name="ID" comment_value="%%id026%%" comment_exists="false"/>
        <PoseComment name="has_027" comment_name="ID" comment_value="%%id027%%" comment_exists="false"/>
        <PoseComment name="has_028" comment_name="ID" comment_value="%%id028%%" comment_exists="false"/>
        <PoseComment name="has_029" comment_name="ID" comment_value="%%id029%%" comment_exists="false"/>
        <PoseComment name="has_030" comment_name="ID" comment_value="%%id030%%" comment_exists="false"/>
        <PoseComment name="has_031" comment_name="ID" comment_value="%%id031%%" comment_exists="false"/>
        <PoseComment name="has_032" comment_name="ID" comment_value="%%id032%%" comment_exists="false"/>
        <PoseComment name="has_033" comment_name="ID" comment_value="%%id033%%" comment_exists="false"/>
        <PoseComment name="has_034" comment_name="ID" comment_value="%%id034%%" comment_exists="false"/>
        <PoseComment name="has_035" comment_name="ID" comment_value="%%id035%%" comment_exists="false"/>
        <PoseComment name="has_036" comment_name="ID" comment_value="%%id036%%" comment_exists="false"/>
        <PoseComment name="has_037" comment_name="ID" comment_value="%%id037%%" comment_exists="false"/>
        <PoseComment name="has_038" comment_name="ID" comment_value="%%id038%%" comment_exists="false"/>
        <PoseComment name="has_039" comment_name="ID" comment_value="%%id039%%" comment_exists="false"/>
    </FILTERS>
    <MOVERS>
        <ConstraintSetMover name="cst_000" add_constraints="true" cst_file="%%id000%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_001" add_constraints="true" cst_file="%%id001%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_002" add_constraints="true" cst_file="%%id002%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_003" add_constraints="true" cst_file="%%id003%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_004" add_constraints="true" cst_file="%%id004%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_005" add_constraints="true" cst_file="%%id005%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_006" add_constraints="true" cst_file="%%id006%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_007" add_constraints="true" cst_file="%%id007%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_008" add_constraints="true" cst_file="%%id008%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_009" add_constraints="true" cst_file="%%id009%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_010" add_constraints="true" cst_file="%%id010%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_011" add_constraints="true" cst_file="%%id011%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_012" add_constraints="true" cst_file="%%id012%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_013" add_constraints="true" cst_file="%%id013%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_014" add_constraints="true" cst_file="%%id014%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_015" add_constraints="true" cst_file="%%id015%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_016" add_constraints="true" cst_file="%%id016%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_017" add_constraints="true" cst_file="%%id017%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_018" add_constraints="true" cst_file="%%id018%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_019" add_constraints="true" cst_file="%%id019%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_020" add_constraints="true" cst_file="%%id020%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_021" add_constraints="true" cst_file="%%id021%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_022" add_constraints="true" cst_file="%%id022%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_023" add_constraints="true" cst_file="%%id023%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_024" add_constraints="true" cst_file="%%id024%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_025" add_constraints="true" cst_file="%%id025%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_026" add_constraints="true" cst_file="%%id026%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_027" add_constraints="true" cst_file="%%id027%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_028" add_constraints="true" cst_file="%%id028%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_029" add_constraints="true" cst_file="%%id029%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_030" add_constraints="true" cst_file="%%id030%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_031" add_constraints="true" cst_file="%%id031%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_032" add_constraints="true" cst_file="%%id032%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_033" add_constraints="true" cst_file="%%id033%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_034" add_constraints="true" cst_file="%%id034%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_035" add_constraints="true" cst_file="%%id035%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_036" add_constraints="true" cst_file="%%id036%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_037" add_constraints="true" cst_file="%%id037%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_038" add_constraints="true" cst_file="%%id038%%_0001.MSAcst"/>
        <ConstraintSetMover name="cst_039" add_constraints="true" cst_file="%%id039%%_0001.MSAcst"/>

        <If name="add_000" filter_name="has_000" true_mover_name="cst_000" />
        <If name="add_001" filter_name="has_001" true_mover_name="cst_001" />
        <If name="add_002" filter_name="has_002" true_mover_name="cst_002" />
        <If name="add_003" filter_name="has_003" true_mover_name="cst_003" />
        <If name="add_004" filter_name="has_004" true_mover_name="cst_004" />
        <If name="add_005" filter_name="has_005" true_mover_name="cst_005" />
        <If name="add_006" filter_name="has_006" true_mover_name="cst_006" />
        <If name="add_007" filter_name="has_007" true_mover_name="cst_007" />
        <If name="add_008" filter_name="has_008" true_mover_name="cst_008" />
        <If name="add_009" filter_name="has_009" true_mover_name="cst_009" />
        <If name="add_010" filter_name="has_010" true_mover_name="cst_010" />
        <If name="add_011" filter_name="has_011" true_mover_name="cst_011" />
        <If name="add_012" filter_name="has_012" true_mover_name="cst_012" />
        <If name="add_013" filter_name="has_013" true_mover_name="cst_013" />
        <If name="add_014" filter_name="has_014" true_mover_name="cst_014" />
        <If name="add_015" filter_name="has_015" true_mover_name="cst_015" />
        <If name="add_016" filter_name="has_016" true_mover_name="cst_016" />
        <If name="add_017" filter_name="has_017" true_mover_name="cst_017" />
        <If name="add_018" filter_name="has_018" true_mover_name="cst_018" />
        <If name="add_019" filter_name="has_019" true_mover_name="cst_019" />
        <If name="add_020" filter_name="has_020" true_mover_name="cst_020" />
        <If name="add_021" filter_name="has_021" true_mover_name="cst_021" />
        <If name="add_022" filter_name="has_022" true_mover_name="cst_022" />
        <If name="add_023" filter_name="has_023" true_mover_name="cst_023" />
        <If name="add_024" filter_name="has_024" true_mover_name="cst_024" />
        <If name="add_025" filter_name="has_025" true_mover_name="cst_025" />
        <If name="add_026" filter_name="has_026" true_mover_name="cst_026" />
        <If name="add_027" filter_name="has_027" true_mover_name="cst_027" />
        <If name="add_028" filter_name="has_028" true_mover_name="cst_028" />
        <If name="add_029" filter_name="has_029" true_mover_name="cst_029" />
        <If name="add_030" filter_name="has_030" true_mover_name="cst_030" />
        <If name="add_031" filter_name="has_031" true_mover_name="cst_031" />
        <If name="add_032" filter_name="has_032" true_mover_name="cst_032" />
        <If name="add_033" filter_name="has_033" true_mover_name="cst_033" />
        <If name="add_034" filter_name="has_034" true_mover_name="cst_034" />
        <If name="add_035" filter_name="has_035" true_mover_name="cst_035" />
        <If name="add_036" filter_name="has_036" true_mover_name="cst_036" />
        <If name="add_037" filter_name="has_037" true_mover_name="cst_037" />
        <If name="add_038" filter_name="has_038" true_mover_name="cst_038" />
        <If name="add_039" filter_name="has_039" true_mover_name="cst_039" />
    </MOVERS>


    <SCOREFXNS>
        <ScoreFunction name="sfxn" weights="beta_nov16" />
        <ScoreFunction name="sfxn_soft" weights="beta_nov16_soft" />
        <ScoreFunction name="sfxn_fa_atr" weights="empty" >
            <Reweight scoretype="fa_atr" weight="1" />
        </ScoreFunction>
        <ScoreFunction name="sfxn_relax" weights="beta_nov16" >
            <Reweight scoretype="arg_cation_pi" weight="3" />
            <Reweight scoretype="approximate_buried_unsat_penalty" weight="5" />
            <Set approximate_buried_unsat_penalty_burial_atomic_depth="3.5" />
            <Set approximate_buried_unsat_penalty_hbond_energy_threshold="-0.5" />
        </ScoreFunction>
        <ScoreFunction name="sfxn_design" weights="beta_nov16" >
            <Reweight scoretype="res_type_constraint" weight="1.5" />
            <Reweight scoretype="aa_composition" weight="1.0" />
            <Reweight scoretype="arg_cation_pi" weight="3" />
            <Reweight scoretype="approximate_buried_unsat_penalty" weight="5" />
            <Set approximate_buried_unsat_penalty_burial_atomic_depth="3.5" />
            <Set approximate_buried_unsat_penalty_hbond_energy_threshold="-0.5" />
            <Set approximate_buried_unsat_penalty_hbond_bonus_cross_chain="-1" />
            <Set approximate_buried_unsat_penalty_natural_corrections1="true" />
            Reweight scoretype="sap_constraint" weight="1.0" />
        </ScoreFunction>
        <ScoreFunction name="vdw_sol" weights="empty" >
            <Reweight scoretype="fa_atr" weight="1.0" />
            <Reweight scoretype="fa_rep" weight="0.55" />
            <Reweight scoretype="fa_sol" weight="1.0" />
        </ScoreFunction>
        <ScoreFunction name="sfxn_none" weights="none" />
    </SCOREFXNS>
    <TASKOPERATIONS>
        <SelectBySASA name="PR_monomer_core_sel" mode="sc" state="unbound" probe_radius="2.2" core_asa="15" surface_asa="15" core="0" boundary="1" surface="1" verbose="0" />
    </TASKOPERATIONS>
    <RESIDUE_SELECTORS>
        <Chain name="chainA" chains="A"/>
        <Chain name="chainB" chains="B"/>
        <Neighborhood name="interface_chA" selector="chainB" distance="10.0" />
        <Neighborhood name="interface_chB" selector="chainA" distance="10.0" />
        <And name="AB_interface" selectors="interface_chA,interface_chB" />
        <Not name="Not_interface" selector="AB_interface" />
        <And name="actual_interface_chA" selectors="AB_interface,chainA" />
        <And name="actual_interface_chB" selectors="AB_interface,chainB" />
        <And name="chainB_not_interface" selectors="Not_interface,chainB" />

        <ResidueName name="pro_and_gly_positions" residue_name3="PRO,GLY" />
        <ResidueName name="apolar" residue_name3="ALA,CYS,PHE,ILE,LEU,MET,THR,PRO,VAL,TRP,TYR" />
        <Not name="polar" selector="apolar" />

        <InterfaceByVector name="interface_by_vector" cb_dist_cut="11" nearby_atom_cut="5.5" vector_angle_cut="75" vector_dist_cut="9" grp1_selector="actual_interface_chA" grp2_selector="actual_interface_chB"/>

        <Task name="all_cores" fixed="true" task_operations="PR_monomer_core_sel" packable="false" designable="false"/>

        <And name="for_hydrophobic" selectors="actual_interface_chA,interface_by_vector">
            <Not selector="all_cores" />
        </And>
        <ResiduePDBInfoHasLabel name="HOTSPOT_res" property="HOTSPOT" />
        <ResiduePDBInfoHasLabel name="DONE_res" property="DONE" />
        <Index name="res1" resnums="1" />
        <Slice name="patchdock_res" indices="%%patchdock_res%%" selector="chainB" />

        Slice name="ipd_res" indices="%%inverse_pocket_res%%" selector="chainB" />
        
        Slice name="ipd_res1" indices="129" selector="chainB" />
        Slice name="ipd_res2" indices="179" selector="chainB" />

    </RESIDUE_SELECTORS>
    <RESIDUE_SELECTORS>

        # If you have certain residues on your target you're interested in. Put them here
        <Slice name="pocket" slice_mode="CONTIGUOUS_OR" selector="chainB" indices="1,2,3,4" />
        <And name="target_not_pocket" selectors="chainB">
            <Not selector="pocket" />
        </And>


    </RESIDUE_SELECTORS>


    <RESIDUE_SELECTORS>
        <!-- Layer Design -->
        <Layer name="surface" select_core="false" select_boundary="false" select_surface="true" use_sidechain_neighbors="true"/>
        <Layer name="boundary" select_core="false" select_boundary="true" select_surface="false" use_sidechain_neighbors="true"/>
        <Layer name="core" select_core="true" select_boundary="false" select_surface="false" use_sidechain_neighbors="true"/>
        <SecondaryStructure name="sheet" overlap="0" minH="3" minE="2" include_terminal_loops="false" use_dssp="true" ss="E"/>
        <SecondaryStructure name="entire_loop" overlap="0" minH="3" minE="2" include_terminal_loops="true" use_dssp="true" ss="L"/>
        <SecondaryStructure name="entire_helix" overlap="0" minH="3" minE="2" include_terminal_loops="false" use_dssp="true" ss="H"/>
        <And name="helix_cap" selectors="entire_loop">
            <PrimarySequenceNeighborhood lower="1" upper="0" selector="entire_helix"/>
        </And>
        <And name="helix_start" selectors="entire_helix">
            <PrimarySequenceNeighborhood lower="0" upper="1" selector="helix_cap"/>
        </And>
        <And name="helix" selectors="entire_helix">
            <Not selector="helix_start"/>
        </And>
        <And name="loop" selectors="entire_loop">
            <Not selector="helix_cap"/>
        </And>

    </RESIDUE_SELECTORS>

    <TASKOPERATIONS>
        <DesignRestrictions name="layer_design_F_boundary_M_core_RK">
            <Action selector_logic="surface AND helix_start"  aas="DEHKPQR"/>
            <Action selector_logic="surface AND helix"        aas="EHKQR"/>
            <Action selector_logic="surface AND sheet"        aas="EHKNQRST"/>
            <Action selector_logic="surface AND loop"         aas="DEGHKNPQRST"/>
            <Action selector_logic="boundary AND helix_start" aas="ADEFHIKLMNPQRSTVWY"/>
            <Action selector_logic="boundary AND helix"       aas="ADEFHIKLMNQRSTVWY"/>
            <Action selector_logic="boundary AND sheet"       aas="DEFHIKLMNQRSTVWY"/>
            <Action selector_logic="boundary AND loop"        aas="ADEFGHIKLNPQRSTVWY"/>
            <Action selector_logic="core AND helix_start"     aas="AFILMPVWY"/>
            <Action selector_logic="core AND helix"           aas="AFILMVWYDENQSTHRK"/>
            <Action selector_logic="core AND sheet"           aas="FILMVWYDENQSTHRK"/>
            <Action selector_logic="core AND loop"            aas="AFGILPVWYDENQSTH"/>
            <Action selector_logic="helix_cap"                aas="DNST"/>
        </DesignRestrictions>
    </TASKOPERATIONS>
    <MOVERS>
        <AddCompositionConstraintMover name="3trp" >
            <Comp entry="PENALTY_DEFINITION;TYPE TRP;ABSOLUTE 0;PENALTIES 0 3;DELTA_START 0;DELTA_END 1;BEFORE_FUNCTION CONSTANT;AFTER_FUNCTION LINEAR;END_PENALTY_DEFINITION;" />
        </AddCompositionConstraintMover>
        <AddCompositionConstraintMover name="2met" >
            <Comp entry="PENALTY_DEFINITION;TYPE MET;ABSOLUTE 0;PENALTIES 0 2;DELTA_START 0;DELTA_END 1;BEFORE_FUNCTION CONSTANT;AFTER_FUNCTION LINEAR;END_PENALTY_DEFINITION;" />
        </AddCompositionConstraintMover>

        <AddCompositionConstraintMover name="30_percent_polar" selector="for_hydrophobic">
            <Comp entry="PENALTY_DEFINITION;TYPE ASP GLU HIS LYS ASN GLN ARG SER THR TYR;FRACT_DELTA_START -0.01;FRACT_DELTA_END 0.0;PENALTIES 0.1 0 ;FRACTION 0.30;BEFORE_FUNCTION QUADRATIC;AFTER_FUNCTION CONSTANT;END_PENALTY_DEFINITION" />
        </AddCompositionConstraintMover>
    </MOVERS>
    <TASKOPERATIONS>

        PruneBadRotamers name="prune_bad_rotamers" probability_cut="0.01" />
        <PruneBuriedUnsats name="prune_buried_unsats" allow_even_trades="false" atomic_depth_cutoff="3.5" minimum_hbond_energy="-0.5" />
        <ProteinProteinInterfaceUpweighter name="upweight_interface" interface_weight="3" />
        <ProteinInterfaceDesign name="pack_long" design_chain1="0" design_chain2="0" jump="1" interface_distance_cutoff="15"/>
        <IncludeCurrent name="current" />
        <LimitAromaChi2 name="limitchi2" chi2max="110" chi2min="70" include_trp="True" />
        <ExtraRotamersGeneric name="ex1_ex2" ex1="1" ex2aro="1" ex2="0" />


        <OperateOnResidueSubset name="restrict_target_not_interface" selector="chainB_not_interface">
            <PreventRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="restrict_to_interface" selector="Not_interface">
            <PreventRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="restrict_target2repacking" selector="chainB">
            <RestrictToRepackingRLT/>
        </OperateOnResidueSubset>
        <OperateOnResidueSubset name="restrict_hotspots2repacking" selector="HOTSPOT_res">
            <RestrictToRepackingRLT/>
        </OperateOnResidueSubset>

        <DisallowIfNonnative name="disallow_GLY" resnum="0" disallow_aas="G" />
        <DisallowIfNonnative name="disallow_PRO" resnum="0" disallow_aas="P" />
        
    	<OperateOnResidueSubset name="restrict_PRO_GLY" selector="pro_and_gly_positions">
    		<PreventRepackingRLT/>
    	</OperateOnResidueSubset>

        <SelectBySASA name="PR_monomer_core" mode="sc" state="unbound" probe_radius="2.2" core_asa="10" surface_asa="10" core="0" boundary="1" surface="1" verbose="0" />

    </TASKOPERATIONS>
    <RESIDUE_SELECTORS>
        <And name="sheetA" selectors="sheet,chainA" />
    </RESIDUE_SELECTORS>
    <MOVERS>

        AddSapConstraintMover name="add_sap" speed="lightning" sap_goal="20" penalty_per_sap="1" score_selector="chainA" calculate_selector="chainA" /> 
        AddSapConstraintMover name="final_sap" speed="slow" sap_goal="0" penalty_per_sap="1" score_selector="chainA" calculate_selector="chainA" /> 

        <DeleteRegionMover name="delete_target_not_pocket" residue_selector="target_not_pocket" rechain="false" />

        <SwitchChainOrder name="chain1onlypre" chain_order="1" />
        <ScoreMover name="scorepose" scorefxn="sfxn" verbose="false" />
        <ParsedProtocol name="chain1only">
            <Add mover="chain1onlypre" />
            <Add mover="scorepose" />
        </ParsedProtocol>
        <TaskAwareMinMover name="min" scorefxn="sfxn" bb="0" chi="1" task_operations="pack_long" />

        <DeleteRegionMover name="delete_polar" residue_selector="polar" rechain="false" />

        <FastRelax name="relax_chain1" scorefxn="sfxn" repeats="1" batch="false" ramp_down_constraints="false" cartesian="false" bondangle="false" bondlength="false" min_type="dfpmin_armijo_nonmonotone" task_operations="ex1_ex2,limitchi2" >
            <MoveMap name="MM" >
                <Chain number="1" chi="true" bb="true" />
            </MoveMap>
        </FastRelax>

        <ParsedProtocol name="chain1only_relax">
            <Add mover="chain1onlypre" />
            <Add mover="relax_chain1" />
        </ParsedProtocol>

        StructProfileMover name="genProfile" add_csts_to_pose="1" consider_topN_frags="100" eliminate_background="0" ignore_terminal_residue="1" only_loops="0" burialWt="0" RMSthreshold="0.6" residue_selector="chainA" />

        <ClearConstraintsMover name="clear_constraints" />


        <SavePoseMover name="save_output" restore_pose="0" reference_name="pose_output" />
        <SavePoseMover name="load_output" restore_pose="1" reference_name="pose_output" />

        <LabelPoseFromResidueSelectorMover name="remove_done" remove_property="DONE"  residue_selector="res1" />

        <LabelPoseFromResidueSelectorMover name="add_done" property="DONE" residue_selector="res1" />

    </MOVERS>
    <FILTERS>
        
        <Sasa name="interface_buried_sasa" confidence="0" />


        
        <Ddg name="ddg"  threshold="-10" jump="1" repeats="5" repack="1" relax_mover="min" confidence="0" scorefxn="sfxn" extreme_value_removal="1" />

        
        <ShapeComplementarity name="interface_sc" verbose="0" min_sc="0.55" write_int_area="1" write_median_dist="1" jump="1" confidence="0"/>
        <ShapeComplementarity name="interface_sc_for_fr1" verbose="0" min_sc="0.55" write_int_area="1" write_median_dist="1" jump="1" confidence="0"/>
        
        <ScoreType name="total_score_MBF" scorefxn="sfxn" score_type="total_score" threshold="0" confidence="0" />
        <MoveBeforeFilter name="total_score_monomer" mover="chain1only" filter="total_score_MBF" confidence="0" />
        <ResidueCount name="res_count_MBF" max_residue_count="9999" confidence="0"/>
        <MoveBeforeFilter name="res_count_monomer" mover="chain1only" filter="res_count_MBF" confidence="0" />

           
        <CalculatorFilter name="score_per_res" equation="total_score_monomer / res" threshold="-3.5" confidence="0">
            <Var name="total_score_monomer" filter="total_score_monomer"/>
            <Var name="res" filter="res_count_monomer"/>
        </CalculatorFilter>

        <MoveBeforeFilter name="total_score_relax_monomer" mover="chain1only_relax" filter="total_score_MBF" confidence="0" />
           
        <CalculatorFilter name="score_per_res_relax" equation="total_score_relax_monomer / res" threshold="-3.5" confidence="0">
            <Var name="total_score_relax_monomer" filter="total_score_relax_monomer"/>
            <Var name="res" filter="res_count_monomer"/>
        </CalculatorFilter>
        


        BuriedUnsatHbonds name="sbuns5.0_heavy_ball_1.1D" use_reporter_behavior="true" report_all_heavy_atom_unsats="true" scorefxn="sfxn" residue_selector="AB_interface" ignore_surface_res="false" print_out_info_to_pdb="true" confidence="0" use_ddG_style="true" burial_cutoff="0.01" dalphaball_sasa="true" probe_radius="1.1" atomic_depth_selection="5.0" atomic_depth_deeper_than="false" burial_cutoff_apo="0.2" atomic_depth_resolution="0.49" max_hbond_energy="1.5"/>

        BuriedUnsatHbonds name="vbuns5.0_heavy_ball_1.1D" use_reporter_behavior="true" report_all_heavy_atom_unsats="true" scorefxn="sfxn" residue_selector="AB_interface" ignore_surface_res="false" print_out_info_to_pdb="true" confidence="0" use_ddG_style="true" dalphaball_sasa="true" probe_radius="1.1" atomic_depth_selection="5.0" burial_cutoff="1000" burial_cutoff_apo="0.2" atomic_depth_apo_surface="5.5" atomic_depth_resolution="0.49" max_hbond_energy="1.5"/>



        <InterfaceHydrophobicResidueContacts name="hydrophobic_residue_contacts" target_selector="chainB" binder_selector="chainA" scorefxn="sfxn_soft" confidence="0"/> 
        <ContactMolecularSurface name="contact_molecular_surface" distance_weight="0.5" target_selector="chainA" binder_selector="chainB" confidence="0" />
        <ContactMolecularSurface name="contact_patch" distance_weight="0.5" target_selector="patchdock_res" binder_selector="chainA" confidence="0" />
        ContactMolecularSurface name="contact_inv_pocket1" distance_weight="0.5" target_selector="ipd_res1" binder_selector="chainA" confidence="0" />
        ContactMolecularSurface name="contact_inv_pocket2" distance_weight="0.5" target_selector="ipd_res2" binder_selector="chainA" confidence="0" />


        <Ddg name="ddg_hydrophobic_pre"  threshold="-10" jump="1" repeats="1" repack="0" confidence="0" scorefxn="vdw_sol" />
        <MoveBeforeFilter name="ddg_hydrophobic" mover="delete_polar" filter="ddg_hydrophobic_pre" confidence="0"/>

        <Ddg name="fa_atr_pocket_pre"  threshold="-15" jump="1" repeats="1" repack="0" confidence="0" scorefxn="sfxn_fa_atr" />
        <MoveBeforeFilter name="fa_atr_pocket" mover="delete_target_not_pocket" filter="fa_atr_pocket_pre" confidence="0"/>

        

        <ScorePoseSegmentFromResidueSelectorFilter name="has_sheet" in_context="1" residue_selector="sheetA" scorefxn="sfxn" confidence="0" />
        <ScorePoseSegmentFromResidueSelectorFilter name="was_done" in_context="1" residue_selector="DONE_res" scorefxn="sfxn" confidence="0" />


        <SSShapeComplementarity name="ss_sc_pre" verbose="0" confidence="0" />
        <MoveBeforeFilter name="ss_sc" mover="chain1only" filter="ss_sc_pre" confidence="0"/>

        <Time name="timed"/>
        <TrueFilter name="my_true_filter" />
    </FILTERS>
    <MOVERS>


        <FastDesign name="FastDesign" scorefxn="sfxn_design" repeats="1" task_operations="current,limitchi2,ex1_ex2,restrict_to_interface,restrict_target2repacking,restrict_hotspots2repacking,disallow_GLY,disallow_PRO,PR_monomer_core,upweight_interface,restrict_PRO_GLY,prune_buried_unsats,layer_design_F_boundary_M_core_RK" batch="false" ramp_down_constraints="false" cartesian="false" bondangle="false" bondlength="false" min_type="dfpmin_armijo_nonmonotone" relaxscript="no_ref_rosettacon2018_beta_nov16.txt" >
            <MoveMap name="MM" >
                    <Chain number="1" chi="true" bb="true" />
                    <Chain number="2" chi="true" bb="false" />
                    <Jump number="1" setting="true" />
            </MoveMap>
        </FastDesign>
        ################################ prevent repacking of rif? ##################################################
        <FastRelax name="FastRelax" scorefxn="sfxn_design" repeats="1" batch="false" ramp_down_constraints="false" cartesian="false" bondangle="false" bondlength="false" min_type="dfpmin_armijo_nonmonotone" task_operations="restrict_target_not_interface,ex1_ex2,limitchi2,prune_buried_unsats" >
            <MoveMap name="MM" >
                <Chain number="1" chi="true" bb="true" />
                <Chain number="2" chi="true" bb="false" />
                <Jump number="1" setting="true" />
            </MoveMap>
        </FastRelax>


        <ParsedProtocol name="old_cst" mode="sequence">

            <Add mover="3trp" />
            <Add mover="2met" />
            <Add mover="30_percent_polar" />

        </ParsedProtocol>

        <ParsedProtocol name="go_go_go" mode="sequence">


            <Add mover="old_cst" />
            Add mover="genProfile" />
            <Add mover="FastDesign" />
            <Add mover="save_output" />
            <Add mover="FastDesign" />
            <Add mover="clear_constraints" />
            <Add mover="FastRelax" />
            <Add mover="add_done" />
            <Add mover="save_output" />

        </ParsedProtocol>

        <GenericMonteCarlo name="try_go_go_go" mover_name="go_go_go" filter_name="my_true_filter" trials="1" />





    </MOVERS>
    <APPLY_TO_POSE>
    </APPLY_TO_POSE>
    <FILTERS>

        <SSShapeComplementarity name="ss_sc_CUT_pre" verbose="0" confidence="1" min_sc="0.750" />
        <MoveBeforeFilter name="ss_sc_CUT" mover="chain1only" filter="ss_sc_CUT_pre" confidence="1"/>

        <ContactMolecularSurface name="contact_molecular_surface_CUT" min_interface="375.000" distance_weight="0.5" target_selector="chainA" binder_selector="chainB" confidence="1" />

    </FILTERS>
    <PROTOCOLS>


        <Add mover="save_output" />



        <Add mover="PRED_hard_pack" />
        <Add mover="PRED_softish_min" />
        <Add mover="PRED_hard_min" />

        Add filter_name="PRED_ddg_norepack" />
        Add filter_name="PRED_interface_buried_sasa" />
        Add filter_name="PRED_interface_sc" />
        Add filter_name="PRED_score_per_res" />
        Add filter_name="PRED_ddg_hydrophobic" />
        Add filter_name="PRED_mismatch_probability" />
        Add filter_name="PRED_contact_molecular_surface" />
        Add filter_name="PRED_contact_patch" />



    
        <Add filter="predictor_filter" />
        <Add mover="load_output" />



        <Add mover="add_000" />
        <Add mover="add_001" />
        <Add mover="add_002" />
        <Add mover="add_003" />
        <Add mover="add_004" />
        <Add mover="add_005" />
        <Add mover="add_006" />
        <Add mover="add_007" />
        <Add mover="add_008" />
        <Add mover="add_009" />
        <Add mover="add_010" />
        <Add mover="add_011" />
        <Add mover="add_012" />
        <Add mover="add_013" />
        <Add mover="add_014" />
        <Add mover="add_015" />
        <Add mover="add_016" />
        <Add mover="add_017" />
        <Add mover="add_018" />
        <Add mover="add_019" />
        <Add mover="add_020" />
        <Add mover="add_021" />
        <Add mover="add_022" />
        <Add mover="add_023" />
        <Add mover="add_024" />
        <Add mover="add_025" />
        <Add mover="add_026" />
        <Add mover="add_027" />
        <Add mover="add_028" />
        <Add mover="add_029" />
        <Add mover="add_030" />
        <Add mover="add_031" />
        <Add mover="add_032" />
        <Add mover="add_033" />
        <Add mover="add_034" />
        <Add mover="add_035" />
        <Add mover="add_036" />
        <Add mover="add_037" />
        <Add mover="add_038" />
        <Add mover="add_039" />

        <Add filter="timed" />

        <Add mover="remove_done" />
        <Add mover="save_output" />
        <Add mover="try_go_go_go" />
        <Add mover="load_output" />
        <Add filter_name="interface_buried_sasa" />   
        <Add filter_name="ddg" />                     
        <Add filter="ddg_hydrophobic" />              
        <Add filter_name="interface_sc" />            
        <Add filter_name="score_per_res" />          
        Add filter_name="score_per_res_relax" />    
        Add filter="vbuns5.0_heavy_ball_1.1D" />    
        Add filter="sbuns5.0_heavy_ball_1.1D" />    
        <Add filter="hydrophobic_residue_contacts" />
        <Add filter="fa_atr_pocket" />               
        Add filter="mismatch_probability" />        
        Add filter="sspred_overall" />              
        <Add filter="contact_molecular_surface" />
        <Add filter="contact_patch" />   
        Add filter="contact_inv_pocket1" />
        Add filter="contact_inv_pocket2" />
        <Add filter="ss_sc" />

        <Add filter="has_sheet" />
        <Add filter="was_done" />

        Add mover="final_sap" />

        <Add filter="timed" />

        <Add filter="ss_sc_CUT" />
        <Add filter="contact_molecular_surface_CUT" />
    </PROTOCOLS>
    <OUTPUT scorefxn="sfxn_none"/>
</ROSETTASCRIPTS>
