Branch: rosetta:commits 「revision: №20500」
Test: linux.gcc.mpi.serialization.integration.mpi
SubTest: mpi_simple_cycpep_predict_4level
SubTest files: 「file-system-view」
Daemon: hojo-2    
State: mpi_simple_cycpep_predict_4level

Brief Diff: Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_0.filt and /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_1.filt and /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_2.filt and /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_3.filt and /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/out.silent and /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_0.filt /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 5 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 4 job(s), the last from node 1. 10,11c10,11 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 5 RMSD-to-best summaries from node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 5 RMSD-to-best summaries from nodes below. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 4 RMSD-to-best summaries from node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 4 RMSD-to-best summaries from nodes below. 13,14c13,14 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 5 SASA summaries from nodes below. < Summary for 5 job(s) returning results: --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 4 SASA summaries from nodes below. > Summary for 4 job(s) returning results: 16,21c16,20 < 3 5 1.95574 0.000000 -3.50746 2 0 921.873 446.995 474.877 0.484878 0.515122 3,2,1 < 3 4 1.46761 2.001903 -2.29302 3 0 935.195 430.354 504.841 0.460176 0.539824 3,2,1 < 3 2 0.873576 1.906618 3.01178 3 1 902.863 370.375 532.488 0.410223 0.589777 3,2,1 < 3 1 2.35461 1.943761 3.67052 1 0 986.84 447.617 539.223 0.453586 0.546414 3,2,1 < 3 3 1.83753 1.091665 4.60637 2 0 920.283 455.511 464.772 0.494968 0.505032 3,2,1 < End summary for 5 job(s) returning results. --- > 3 4 1.74598 0.000000 -0.278329 1 0 967.536 470.951 496.586 0.486752 0.513248 3,2,1 > 3 3 2.14094 1.596614 0.792001 1 0 1057.8 507.054 550.749 0.479346 0.520654 3,2,1 > 3 1 2.35332 1.769001 3.66249 1 0 992.491 448.091 544.399 0.451482 0.548518 3,2,1 > 3 2 2.10383 1.867981 4.24769 1 0 993.261 474.168 519.093 0.477385 0.522615 3,2,1 > End summary for 4 job(s) returning results. 23c22 < PNear: 9.52043e-05 --- > PNear: 3.68908e-06 25,26c24,25 < Keq: 9.52134e-05 < -kB*T*ln(Keq): 9.25939 --- > Keq: 3.6891e-06 > -kB*T*ln(Keq): 12.5101 30c29 < PNearLowest: 0.76958 --- > PNearLowest: 0.728261 32,33c31,32 < KeqLowest: 3.3399 < -kB*T*ln(KeqLowest): -1.20594 --- > KeqLowest: 2.68 > -kB*T*ln(KeqLowest): -0.985818 36,40c35,39 < BoltzAvg(SASA): 924.933 < BoltzAvg(PolarSASA): 443.109 < BoltzAvg(ApolarSASA): 481.824 < BoltzAvg(PolarSASAFract): 0.479133 < BoltzAvg(ApolarSASAFract): 0.520867 --- > BoltzAvg(SASA): 990.633 > BoltzAvg(PolarSASA): 479.668 > BoltzAvg(ApolarSASA): 510.965 > BoltzAvg(PolarSASAFract): 0.48433 > BoltzAvg(ApolarSASAFract): 0.51567 44,46c43,44 < 3 5 1.95574 -3.50746 2 0 3,2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 4 1.46761 -2.29302 3 0 3,2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 2 0.873576 3.01178 3 1 3,2,1 --- > 3 4 1.74598 -0.278329 1 0 3,2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 3 2.14094 0.792001 1 0 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_1.filt /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 2. 12,13c12,13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 5 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 5 RMSD-to-best summaries to node 0. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 4 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 4 RMSD-to-best summaries to node 0. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_2.filt /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_2.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 3. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 3. 12,13c12,13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Received 5 RMSD-to-best summaries from node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 5 RMSD-to-best summaries to node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Received 4 RMSD-to-best summaries from node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 4 RMSD-to-best summaries to node 1. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_3.filt /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/mpi_log_3.filt 35,40c35,40 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-175.535 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=173.536 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.051 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-179.311 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=171.032 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-176.324 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-175.527 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=173.566 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.064 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-179.405 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=170.891 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-176.511 43,45c43,45 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.35461 3.67052 1 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.35332 3.66249 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. 65,71c65,71 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=172.783 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-179.104 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-164.66 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=176.59 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=-176.577 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=179.921 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-179.944 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=179.344 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=176.309 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-172.913 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=175.869 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-173.721 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=174.261 73c73 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 0.873576 3.01178 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 2.10383 4.24769 1 0 121,127c121,127 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=179.978 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=170.34 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=169.845 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=174.029 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=-179.519 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=175.178 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=166.18 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=179.937 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=175.142 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.548 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=178.145 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=178.449 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-178.139 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=-179.844 129c129 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 1.83753 4.60637 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 2.14094 0.792001 1 0 140,141c140,141 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 161,167c161,167 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-179.955 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=176.08 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-177.503 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-174.496 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=175.216 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=172.967 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=-179.523 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=174.319 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-176.846 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-179.947 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=178.656 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=172.11 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-174.505 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=179.462 169,171c169,171 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.46761 -2.29302 3 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 2. New list is: ALA, LYS, DTHR, DASP, ASP, DGLN, DLYS < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence ALA LYS DTHR DASP ASP DGLN DLYS. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.74598 -0.278329 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 4. New list is: DTHR, DASP, ASP, DGLN, DLYS, ALA, LYS > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DTHR DASP ASP DGLN DLYS ALA LYS. 185,200c185,186 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=177.939 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-179.937 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=179.66 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=172.641 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=172.388 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=169.176 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=170.853 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 1.95574 -3.50746 2 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 jobs attempted. 2 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 jobs attempted. 1 jobs returned solutions. 203c189 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 5 job(s) to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 4 job(s) to node 2. 205,212c191,197 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 2.20733e-07 to best structure for job 5 on node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 2.0019 to best structure for job 4 on node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.90662 to best structure for job 2 on node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.94376 to best structure for job 1 on node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.09167 to best structure for job 3 on node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Sent 5 RMSD-to-best summaries to node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-5, 3-4, 3-2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 3 structures to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 2.20733e-07 to best structure for job 4 on node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.59661 to best structure for job 3 on node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.769 to best structure for job 1 on node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Computed RMSD of 1.86798 to best structure for job 2 on node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Sent 4 RMSD-to-best summaries to node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-4, 3-3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 2 structures to node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/out.silent /home/benchmark/working_dir/commits:20500/mpi_simple_cycpep_predict_4level/out.silent 4,5c4,5 < SCORE: -3.507 -21.823 3.011 25.377 0.059 2.384 -0.508 -13.461 0.000 -1.366 0.000 -1.838 0.000 0.000 1.459 8.935 -1.650 0.000 -4.695 0.609 1.956 2.000 0.000 result_proc0003_0006 < ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS:protein_cutpoint_lower]A[ALA:protein_cutpoint_upper]KT[DTHR]D[DASP]D result_proc0003_0006 --- > SCORE: -0.278 -15.830 2.492 16.040 0.049 1.801 -1.290 -3.773 0.000 -1.031 0.000 -0.677 -1.380 0.000 0.504 8.346 -0.594 0.000 -4.695 -0.241 1.746 1.000 0.000 result_proc0003_0005 > ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]A[ALA:protein_cutpoint_lower]K[LYS:protein_cutpoint_upper]T[DTHR]D[DASP]D result_proc0003_0005 7,13c7,13 < L92vi/0zzU8zOJ9Mwee/g8i+Bo6bVTiNw0YFh/ae+t6LgPRLwrNU3/Gfrq+bh91Kw4S1M/+bp51zRMFQwCt8U+YFc1mraETRwg7oN/Y7qz+LFokRwjRPl9KNtVAsFzvRwbSgAA5RiH/7mKnRw3Hmd/c0DJ/zSsRNw0pTx+4WDr+rcVvNwiY2i/qxwJ+zEIAQwBNix/6ayZ8bznQQwXaKi/cill8DcSIRwXd1s+GUit6DY9KSwnjyGARrldAsCgyRwt1HKAZ98F9LXwdRw result_proc0003_0006 < LpZwj/alRF9TWd0Jw8aTBAn3Bo9zGFTHwtHZw/ep0C7T5WDCwMxFEAjEzd2jU9o8vZrZQ+S5rM6jRwyBwnWx9+kpCc5L+MA6vJuGIAnBfXA0FTqGwTj3TAvPW8AUDIvJwVQpZAP57MCkA4SJwXQPhAvKLhC0FU1Lwob5RAL9wkC0JR9NwGbn/+SxLF/D91OKwNoZPA3pif6DesIIwi8C0/yXA/A0g47FwIhiSAnoqdAkABMDwdtPhA307XAkzfFKwNMxJAb+O3AkmVgLwDdcLAXGkeC0goqIwrr0iALlUPC0VNcHwXKSkAf+ABD0vbYLwFx1nA7Z3NCEmslMwfYYYAP9SyCEKomPwbuVMAP+THCU+0aOw+9sFAvdH3CUxySNw result_proc0003_0006 < L3+dQ+aUpM6DKsyBwPE09+EbVd57ffA6vQNXE/o6Be9jaLwjvHMz0/wajv+jTaEfPywZw/yOqC7zLIDCwG287/oeg68rHgx8v5Ytu+0ymK8Tbx/Ew5cJ29W8/E+7Mmh1v0UzFA1LuL+LUXFzvlOX5/QhbF/r8ORBw2DZHAJ5jj2j4CHAw result_proc0003_0006 < LKaDF/2CXc+TWrVsPHVpI/SNcPAU8Ma7POBCH+67plBEHqd2P3ZHz+o6mMCk5mO9PeuqS+s2oo/TUDjCQMzZU+6j107jtZ9EQaBrG/4g2t4D90+IQFaza+kjsX+LwXJKQp3Yh/MKdC/7yAjMQvF5t/2L3F9z5nfbPGwh1/W85WA0mQ79Pqm8n/4Weg/j0BaBQyyc79I5ukA0s7qFQJ0co/CCh/7zGl/FQqSBM9y3Vg6bYNCCQzrW1/cVut4D5gfIQkYC2+YBgw9Tu0eKQvsqU/iaWX+ruFtKQK8yw+QIw6/LDEpIQ52+Q/QZFbAspcQNQHTWAAx/fF/LHzCMQa8XZ/cglR9rfN+NQ result_proc0003_0006 < L9ciu++p80B0XUWsv1iDx9qMQkCkqgo3vqp3h/8w/hCk85v/vGgWAA9lT6C0EF9+vc5Hr/6nG2Cku0b9vSKdGALtP7CkOekzv/CZh/amGhDEt4SBwn2/N/SrdFBUgUj3vfAwP+wST6C0yFkjvIXn1/+RufCkouyBweyxAAXudHDEiEraPIsD+/SLOtD0axQDw5qrf+2xOdDU/RPEw0hWO/GJt3D0w8d8v result_proc0003_0006 < Ld+Hd/UnqECk1xsDwP+88/smkCCkovDIwnSNCAxkCpAk2P8IwFDz0/g43Z/TJjXHwecAt/oSHdC0bjbKwkv/+94HkLCExgpLwe1sT7QseKBkOB3LwwRZO/KjpkCE3yWMwoW+S+4YieBkKyiDwWFtNAtUvPCkqIxGwHLzCAtMBeCkMe+LwobUn/UH99CkNQyJw result_proc0003_0006 < LCJMOANSXeAUaGHLwBlEWAh9jU+Dx05LwnQ+DAZuYR4Ts8AMwMDzGA1YMC+LG8QLw3IsjAxZqt8zqt9JwQmitAdKgJ/zPy8Jwbd/vA1h1IAE70/Lw2LhyApP0X/jFIyHwwz7RA1p0RBkCYPMwp8CdAtOze+DGW5Nw3GbgAtWcj8Dg14HwxwImAlMcq6b3OgKw result_proc0003_0006 --- > LAHTh/40TT4zkoFNwGxYC/gPSS+7xBKMwSz2H/+JS297RzNKwaCPq/aDw1/Ll+iJwDB9x9c0cAAMeshOwnqrm/gvpUA86+PQwELfFARqoGBsDiOPwYlGCAFnlFCcU1EOwWB5YAFQlkAc/VbPwQFQ++4w0u8TX0YOwnS4q/M7LU/bIfGLwL31M/W/HA/bxMnPwc67m+i738AMWpyNwkWnz/o0mx+byyoQwKoGT/Eoy6AcIKERw01viApcqCB8rEoOwiB7aAp7uZ/bBHMQw result_proc0003_0005 > LnTyU/KSOL6DMSUJw/3G//GTya8TIlSHwD7Y2/+MEQ6zc8bBwU/mJAntOu6jcbL8vmDYFAXFRFA0Z05Hw7woNAngodAEPttKwTNZSA3P98BUO74KwgcJbALthKCk+JoNw1lFfADoV5C0vP3NwRSpK+ONi/9zFfzJwbPJNADYK0qjIiSIw3buu/2IlsAk12DHwT4pRADWHWA01Y/EwgcPcAbM7z/zBFJLwStsBAr7INAEG1NMw40wDA3ckQC0CRhKwr0HeAvqHHC0XoXJw4xDlA/cNzBk8n+Nwc1xPALo9ACESyKPwApbiAv0//C0kCtPwKlORAXiWJDUE/kNw7+6kAHTfCDUg/dMw result_proc0003_0005 > LBA25+CQM31rzaOAwrFYl9yYEr77DBTzveClC9EXv/8Dw7ylPQVHk/08DR+zwzByPyHhj/eGIs+jQ1lwPgGtk/6NtgA0oeS7PWjvn/MKwc+bbkqzvLqSg+QL7x0LLuHDwpnpW/KPKO+7nXCqvHhXw/82+B/7IUKpPAwPk/E5fHAcpxw6vFsYAABtUX87v3J5v result_proc0003_0005 > LA5hj/mzAs+jkGlwPkp0k/60sgAkvfR7P2ivk+O66oBkiJx1Pk67m+UeBNC0uX98P23yD9MwCA9jWH3lPaEiM/2n7IAEtSSDQ2P0w/mzAG+j7j7FQHmKi/qnIL9DTo0JQgy27/Sp6l6bbwHLQv89s/uBpc8LS54NQRwM//egI69DhSjiPvH3CAP3w3AU/Wq7P8Clr+onnm/ThALDQ0VCP/ioaBBkG11FQ36MJAPS7r+T7W+FQzm2t/W3x93zUSpDQ7ftQ86z4E8zSu0JQ+rCm/2CCa/TO3/KQbTwOATDOy0rCKMLQ3F74/+wqd+beb7JQD3w+/+zut+7XZrOQfbn3+22Rk9rXG2NQ95Gw/mane5zBmBPQ result_proc0003_0005 > Leq1X+OkCvBUnH0uvA+OD/keNZCklZ74vA9Is/AqaHCU9REBwxgpw/YIIBBEQtpBwkvjv+S9/8C0PmF9vi261+wRfgD0uSUAw1cHn/mX3sCkjnKDwE2fN/Su5DB0Z/P4vofin/AuBnC0mgWsvpkyg/WRxHDk6/S1v0Nyo943b6DEGmj9vFSx7/SBlGDUBTlEwr4t6/+AHSCkzW0Bwb1yE/aYViCkCbaGw result_proc0003_0005 > LRSp9/8TEkC059UEwXOCOAJRsXCEuBPIw+r9DAZNRxBUb4NKwe5ch/Mhv0BUr8uKwRJSWAZHN/CEVKuJweN2iA5s5ZDk5bDIwRl5lAldmLDU7m4DwbvmlABPV8DUOE6IwL4q1/gSODDEhT7Dwj0jbAlLvHCU0ZkGw6VzIAxHSTDkjeTKwFkaeAtvQ1C0DEjLw result_proc0003_0005 > L+7ERAp7c4Ak0oULwwx5JAVw08/jlBbNwCkWDAF5Jg8TJWRMwEl/OAND+I0DHUrKwdFhbAZqmj/DnygPwfCvTAd1eF+T/2/QwodWIAV5QR/T8jxRwf7PZAdOQU37mFKRwSJNgAF8Y1AUcSsKwqf+3/4JkaAUlnZOwDF6gAde8vAECsDQwPvVkABNWb+zveoOw result_proc0003_0005 17,18c17,18 < SCORE: -2.293 -17.188 2.004 19.580 0.047 1.715 -0.800 -9.246 0.000 -2.835 0.000 -0.874 -0.913 0.000 0.337 8.211 -0.428 0.000 -4.695 2.793 1.468 3.000 0.000 result_proc0003_0005 < ANNOTATED_SEQUENCE: Q[DGLN:protein_cutpoint_lower]K[DLYS:protein_cutpoint_upper]AKT[DTHR]D[DASP]D result_proc0003_0005 --- > SCORE: 0.792 -11.218 1.037 13.277 0.048 1.438 -0.599 -3.533 0.000 -0.825 0.000 -2.150 0.000 0.000 -0.124 9.137 -1.057 0.000 -4.695 0.058 2.141 1.000 0.000 result_proc0003_0004 > ANNOTATED_SEQUENCE: Q[DGLN:protein_cutpoint_lower]K[DLYS:protein_cutpoint_upper]AKT[DTHR]D[DASP]D result_proc0003_0004 20,39c20,26 < L9/Bl/kqb9+jPXlKwotYG++Eve9TRjALwvHaH/uLg03z0thIw3aJE+y8HA7z0HoEwQvhx/KlAP9b/J6Iw+mRBA7doM/71tZFwtuzl/++h3/jT3xLwbZ5Q/CU9zA0gRHOwN6PA/GnvAAUVaUQwAWDs/SyTk+TTNzQwce1M/MhEJAk0P3QwfUjn/QkQRA04ZVJwdk7i9mJFc4TVBpMwfq9r/ydLlAkqUEKwHM9BAXin5+TtdTMw5X8G+c5uVBEiVlNwlu7x/W1thBEkthOw8mib/IorR/jynsRwFlHs/w1ivA0VLcQw result_proc0003_0005 < LGbhx/On5O97IU6IwTWTBATMnM/L8TaFw0kvJAjFK08LrF9Aw2QIWAzDNi5Tda8BwvdZH/GZo03z2phIwRYBTAjs6hA8OIZHw12McADHycBMySHDwKDamAPJrMCMCwcFwK9+qAn6KqC83nLBwcDJzArl7HDcsFaDwb/o8/GgS49bX7xKwJ1yo/yNINAcMiwDwwl4MA/63JB8Y6TJwiaEgA3P73/LAigIwqG1hAPCd2Acvi9/vJ9VPAD2IBCcoWVBwxWviAPKCgC8SqSIwU/5sAfeW0B8HeNHwSuquArLGXC8JkE8vtEjkA3m88Cs5R0+vjH+1AbM6aDMSUdAwRQxvALsOaDsjESGwRlO5A/R52Csbv/Ew result_proc0003_0005 < LC89CAb2879LsjF4vFVwIAjAke4bnfegPRSRq/maLF8zyxuzP+K5p/qwBf9zpeT/PWFMUAPJ889bobf5PnZIz/KDel/LOm21vRFjTAbvjg8DQO2lvDAaYArxr16rkmIAQQ8VhADeY1+LGfI0PKEsJAzo/k/7zuL8P result_proc0003_0005 < LNiGl+G1Dz8D+/7avoeod/ccZk+T6WEsPDYNg/0sCyAk9sCdPVxqo/Q8JlBk1TA4PHQeCA1xuX8DuDMpvTLNYAl41R+DtWbgPgCLlAZ0j16zWhLwv0MAwAZYc39zg7sjvwY04AxR2l6jO7L3v86Jw+2hxY7zaNb4vh7Fh/gJGS+z5ap7PgdKCANrgx7LjoMVvLHMBAlTlw8Ttd96v2BeZA5O4LAkUvoivv8wZAJNSK+zGNu5P3aAlAtI4s8bp7vhv16HkA9OVx6DQwv8vbI4vAB67BAEocTtvocnxA1dfa9jVdH2PGb2/ARhvB9zO9Pzv31G5AdwOp8rwvnzvmef3Axitg7T4mg/v result_proc0003_0005 < LMxtP/AkCKBEApK5vT+oX/MzeRCU31j8v8pF9/I7OWCEiYsCwUrqRANKYQCUFLxBw0A09+GaNjCU/NOAwpjFc/6eyKC0xHuEwFKnw/GL4gCkuLH3vc/F6+wMidAEapi+vd6Tm/g8fkC0Z/dzv9/Ou++wbEDEnFdBw+gCz/e/wsBESejDwRUfHA3NjtCU7cc6vg1xl/G6tzCkKoybv4j30/S7Y/B0cJOyv result_proc0003_0005 < LySTu/Ae4gC0CtfHwwTfFA9nppC0p0+JwFALLAR4uACkQieLwfuBHAF6m5B0ex3NwkKm2/I7uJD0TZ6LwI+Wx/URG2DUSisKw6D4GA5q6BEEiFTJwNqCC/EP6EEkfQLLwkNf5+gP9iCUlFCIwVOOUAhFe3C0WgMJwl/bO/w3F+C0ezhMwwqIFAZkYMDEGLtNw result_proc0003_0005 < LR1rUAhIoEBk5RDKwp9xYAByqf/zZ9JLwvc9DANgBD+j3DzLwLItDAR0xT2zTBXNw3aBjAVT9o9TS6MJwQzouABjRu+T4OCJw9x6xAxumIAEg4sKwsbH0Al13t9T6FfGw6fMZAl1cRBUM0JIw7t5gAZoSu/D6gANwp6+eA5XC49jmDbGwIr1iAJ+UL4LjM0Jw result_proc0003_0005 < SEQUENCE: QKAKTDD < SCORE: score fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro RMSD HBOND_COUNT CIS_PEPTIDE_BOND_COUNT description < REMARK BINARY SILENTFILE < SCORE: 3.012 -18.736 2.057 22.102 0.049 2.423 -0.568 -7.721 0.000 -2.704 0.000 0.000 -2.430 0.000 1.436 10.149 -0.442 0.000 -4.695 2.093 0.874 3.000 1.000 result_proc0003_0002 < ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]AKT[DTHR]D[DASP:protein_cutpoint_lower]D[ASP:protein_cutpoint_upper] result_proc0003_0002 < NONCANONICAL_CONNECTION: 7 C 1 N < LalU2/IJLo5bnLYLw4fOm/gSsw+Lm95Jworra+OXiS+bkk7IwXq7T/iE4+/bhgJHwb45n/AxyoAsxppLwWYQKAxJUABMs9mMw3GdZAt4jSBMfDUKwvxcVARReFCs1KqIwtuglAZa4iA8svMKwz8St/whtC3r0KTNw9ye6/IwnE/rLKKIwnwZH/Q32fAsP+ZNw0zUW/U+AfB8TNiKwfKuQAdZOLAsIPxNw6rOJAZpg5BM3a2NwUy0qANp/rA89ouIw6q0mAVLsr/LFQlLw result_proc0003_0002 < LoBRS/evmlwzZUoJwplCDAb/dX6jBLGJwJfCGAjS1i9jcEoEwMGOLAD1IEAEykCEw4tCMAbt3f+juSNLwpTgMATQlt8DT+BOwu+ZVALM/X/D2iAQwdb6VAHUEP+je0aRwN8TeA/VeGA0P6ZSwTHeY+6lR18D/gjKwkw9LAL+5j8b+rLJwwrgCA/VXKAU36PLw4BWcAvEtD/TB7qKwQgdWALSte5rZQEOw44r4/iLVO7zvmoOwv5eLADQblA09GAQwpiziAvSg7/TktbPwnKAgAvhvr5zaEcRwR4yFAPisT9jr3tRwcfYeA7JzX/DX2UTwMm4UAX9A7A0YKaSwt4rmADYTXA0TnJSw result_proc0003_0002 < LoCwCAjib11zv6iAwoqYFArWt87jTQE0vGaxh/O8DP+TG41lvgqzi/O5+0/jeTjzPQQNMA/9Ft8LFJefPy2n8/2Dok9r2wSBwcW2RAjgug+DxUqzvi7GOAfMSs6LqsM5PpnXbAzpmJ+b5ScnvNTDAATSQ6+bCGeaP result_proc0003_0002 < LE1/k90eXA9TBoD1vRxCs/kZCA+DlEqlvhgN7/UG7aA0Ckxvvlp2OAhIJoA0IvZ4vH3eGAtOoFwrzrozvybWBAlqx6+rvJnsvY7TRAdKIaAsNFV4vx1BLAtGI3BMMWG1vc9fZApyjZCsKnT8vy81y8EV0T6D90s9vuGJp/IPui9D0G41PK/yHAxljb2DgVf+vjzIWAFkvk5zaZypvVFyBAROrM/rMs/yPeDqi/oruZ/rW3+zv6xCSAtunNAcHCdAw8ukgABUZPA8gc3xvO1kLAJu0CC8a+unPcEb1/AspACcadW5vCNzUAZm/3CMtV76v6B5YAxIgTCc2uHCwhfUkApvkVCMHqq5v result_proc0003_0002 < LqCPh/oGcZB0uKJdvFK/s/sLpZCkMbonvAfTt/8OJnCEpbq9vXLX8/wd4JDUzOMAw7LK5+4Bq2CUiFywPtNyY/qcpxC0qFJUPDKp8+IjMrCEh4GAQ9P4E+AJVKBkfhrpPYZmGA9d/dCEQtthPUWvP/sq9XDkRirtPVEKj/uzuTCU/uxDv6TrV+a7BAD0aVSCQTCgv/0xUvC029pBQijhK+c4AKCkAznAQ result_proc0003_0002 < L2hMZ/sfeLCE/NSCwjNFa/swbTCkZ/AIwRVPl/YHtUBUcrkJwCdEf+QZfiAUUkDKwPiqGAhzVHBUExWKwS+uMAJ7Z2/TUH3Lwr8Z1+mhTnCkFk6Iwy472+OP9yCki03LwSfPB/E2yoCErjONwr2Xs/e35FDkL0vMwwQ/8+IYdgBk8J5Aw2K12/QZ1pCUwbdIwjsQH/KkHED0e/fHwZoZn/mt7QCkSxhIw result_proc0003_0002 < L/4pGA9nQHBkx1WKwGVrMA92/1/zO/2LwCzRIAdB6n8jMbQKwrulQAFVA37TpTDIwZ0Pl/U+yUBkSlkJwdZLiANbB9/jLgoMw6yllA9k7O9j08YOw+NziAdnSN9jogWQwaC9qABc6H2bxsZNwt4/RA9V7yBUXr5Jwr7HDAFhOx/zQrrNwjJzjARA/5AU7tsNw/4EnAR8/8/T9A1Kw result_proc0003_0002 --- > L8vFR/YSz50rVXFNwZStW/kE34+rw9RMwvKM2+a7Lz/rQY5Kwt6lQ/ylYFBsUA7Kw0MRk/KD3z9LNFsJwIuBGAPQqg+r0nSIwZlZk/gVWVAMLVtOwmjaHAh4JDAM9eCQwUcOLAhsz8AcrFPRwQma7/kd5xBc3XlRwwXsdAZityAc+53RwKRzm9APLp5Dz5cOwVkp1/AOYG/LAV3Kwj2Es+oyNNAMf0FQwb2Tk/QGSYB8bEGOw2kVUA90YNAcLipOwuwfHAtL7B+rWgYQwvSjgA5I9WB8/7qSwDjGkABO5GAcyrjRw result_proc0003_0004 > Lw1Rk/G4B09bpEsJwwpCGAfC2g+ruySIwgLjDAjseK+LxQkCwsxMNAHAHo/LWf2+velJ2++GMz/L3Z5KwxHMYAbey96L4DVJwCA6cALAvH87yNTMwv4SiAvzC4/7vL8MwlHVlA3BvEAMT/3PwVz6oALNAdBMmURQwWkbT/KiU/pzzOvJw8mKKAXEJTA8YFrIwfbSUAnqIt8T3v9IwquajALtAY8rZ2OIwKhcOAzEBm6bpxcNw5XmkAbaW74jeO5MwW7PpAvjLLA8+ctLwPZ8XAjfxpAMa7eMwfe7cAPIep/7lzjQwRZxrADYVw+r+8KQwg32qA/RGgBswAQRwLrYvAv1GsBsOJbPwrM9iAbvZDC8H4EQw result_proc0003_0004 > LpFGt/u/4d3rKv+AwoOFo/aNKu5jHPY1vdO1X/mMRZ/z/wmyvb1Hk+OziTAkFnc8v3/lV+2HPq87Oy8jvuRvY/KjVR7jR/vDw5+XDAXAaa2zXk6qvNQH19i14L7rSp11P2WhB/KYUa/r9VjovEayP/s5/I8rG7Dzv result_proc0003_0004 > LlN2m/u6mQAE1yuvPNNOX/Oy6oBkiw40PToTJ/slQ2BEkzK0PW/Bt/o3EEB0lIn6PuDCt/yCABCU5EuAQT9zOAzB6DCkjrABQ+hNWAXfiRCEyUjGQTsPnAfbJUCkXF3GQIW/qAjIpgCkmTJKQUcX3/q6wb/z3pW5P9w+p/KFSJCE4C6VP0Wji/O1YTBkuHsDQ8z/f/2GAgCU2U4BQJThUAb4HbC0CkK8PXgwVA7qqJBUoQEAQO1hQAnJE1BkwUwIQqWgPAvK0wCUPfgHQ57IqAPJlrCE2s+DQ8urqAzvRqB0cM2FQcGEzATu/hCUXhKKQ2VeoAToxKCUHrfLQqi+nAr7o9C0T3nKQ result_proc0003_0004 > L+eRi/AbGdCkGxyaPw2yHAtX2nC0aotxunkWPANKroCEhjm7vCSDgA5G26CENCG+vDkaMAZLXTDUjCkyPyhn//088zDEpdZPPxzFHAd10RDUHwkAQjYty+Qr9vCkFsNsvMo6QAVjVPCEXYYwP7GSdAVZSbDUn2mwPiDfIAh5nBEUgkoxvmhdKA1w1wDU+XYCQgLyQAtlU5CUcsgCQOoas/EuNKDk+nFBQ result_proc0003_0004 > Lv55CAx74UCk2DVBw43BIAdnOUCEyJBHwoOu1/8TPlB0Mo+IweQQM/w8jEBEX11HwkHJEAd2QADkeiwIwppeQAhw3GDkHiWLwMlBbABEhpCUebNMwJNPPA9ENpDUh0cMwoHGr/gA7FCUiVCAwby5YAREJMCErNeHwQ2zIAheIZDUHJsGwyIPm/cgQEDUMiKJw result_proc0003_0004 > LuSdBAFe1QB0gEbLwJG1r/wmUTA0PvENwVWVy/AIJh9zHBEMwD1DHAxHEg8j2KZKwR4U6/YHqZAEGd/PwPrPS/YzXv/Dzc+QwXQiT+i+Zq+TpEiQwZVSf/k6iAAkyHKSwGB0OAZ9psBEIAKMwzIEn+Q8FiAUrR+MwD2iAAR+RcB0fcPQw6j9LABdYr/jmOIQw result_proc0003_0004