Branch: rosetta:commits 「revision: №20515」
Test: linux.gcc.mpi.serialization.integration.mpi
SubTest: simple_cycpep_predict_nterm_isopeptide_lariat
SubTest files: 「file-system-view」
Daemon: hojo-4    
State: simple_cycpep_predict_nterm_isopeptide_lariat

Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt and /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt and /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt and /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt and /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent and /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 2 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. 9c9 < Summary for 2 job(s) returning results: --- > Summary for 4 job(s) returning results: 11,13c11,15 < 3 1 0.98194 -0.544437 2 1 3,2,1 < 3 2 1.0833 3.2925 3 1 3,2,1 < End summary for 2 job(s) returning results. --- > 3 1 0.958823 -1.65143 3 1 3,2,1 > 3 2 1.78043 8.90319 3 1 3,2,1 > 3 4 1.13118 10.3317 1 1 3,2,1 > 3 3 2.40955 11.2832 1 2 3,2,1 > End summary for 4 job(s) returning results. 15c17 < PNear: 0.0208821 --- > PNear: 0.0252886 17,18c19,20 < Keq: 0.0213274 < -kB*T*ln(Keq): 3.84776 --- > Keq: 0.0259447 > -kB*T*ln(Keq): 3.65179 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/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 2 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. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/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 2 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. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt 33c33 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 0.98194 -0.544437 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 0.958823 -1.65143 3 1 58,59c58,63 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.78043 8.90319 3 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 83,86c87 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Final hbond count is 0, which is less than the minimum. Failing job. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. 111,112c112,117 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.40955 11.2832 1 2 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 140c145 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.0833 3.2925 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.13118 10.3317 1 1 144c149 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 2 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. 146,147c151,152 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 2 structures to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-2, 3-4, 3-3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 4 structures to node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent /home/benchmark/working_dir/commits:20515/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent 4c4 < SCORE: -0.544 -19.177 3.614 15.942 0.066 1.393 -0.413 -4.556 0.116 -2.238 0.000 -0.658 0.000 0.000 1.011 7.753 -0.432 0.000 -4.092 1.129 .00 0.982 2.000 1.000 result_proc0003_0001 --- > SCORE: -1.651 -19.139 4.060 15.856 0.066 1.369 -0.411 -4.560 0.107 -2.244 0.000 -0.676 0.000 0.000 0.883 7.659 -0.996 0.000 -4.092 0.469 .00 0.959 3.000 1.000 result_proc0003_0001 16,24c16,24 < LIZUODVlJmEs9G9mQxmlODB2hrEsA6LnQfRdOD1MstEcStinQcFLODRExnEsxZnnQ43wOD54YAF8zMFnQXeDPDp+mDF8jOSnQI4hODNuYTFMYvHnQVVFODxOokEMSxCnQCWxOD1JoeEstqLnQd21ODN0N/Es6h0mQjDPPDB0mIF8BdJnQ5GqODt++hFMB7CnQMzTOD5kERF8mt9mQy9cODd6uUFsEaYnQ result_proc0003_0001 < LtrqODlfN2E8T1wnQPhlODt0P3Ec4xDoQMbRODJ4eEFM+tFoQhaQODh3PXFcQxCoQbQ4ODxFcAFcJDKoQX04ODB0H8EsesrnQVZiODtlBnEc1kGoQAK0ODFGHBFcLhSoQBRGPDpBS2E8R9IoQQy7ODt8fQFMCLHoQ result_proc0003_0001 < L0cBODFNm6E8asKoQcBuNDd+5FF86zNoQhaeND5VjHF8PfEoQSbNNDxhVRFsGcFoQqZjNDNnm6EM3IXoQiDcNDhMTmEcuHUoQNzCODd41qEsCXMoQqXyNDtdEWFMUSQoQQCWNDRmMEFsiBaoQ3xuNDp2D5EsWsdoQbBbNDRcjmE8SdMoQ result_proc0003_0001 < LmRkND1E79E8782nQDsWNDhcF+EMW/jnQSeiNDdoXHF8EyQnQOr1ND9B6DF89FOnQUzONDx9enEs05enQfEANDJL7dEM7yvnQCA4MDxk9HE8ZFpnQacpMDVQm8D8aC6nQhahMDR+mRDchrznQlgyNDl1S2E8yX2nQw2INDFzOIFsTLnnQ8ecND9L0cEc6EdnQBMGNDpSmnE8FvPnQrZyMDxVfoEMaQynQgsIND1OccEs03+nQElFND50m6DsbgmnQbIvMDdoVJEcbIanQQ0bMDd90IE8Ls8nQDMyMDJdm5DMphEoQY2XMDdd6FDcuU/nQT7tMDFUn9CcwdxnQ0AZMDBbEUDMr7lnQ result_proc0003_0001 < LE3WNDphLTF8MdDnQWhgNDpSaeFM5bxmQ7skNDt4PPFMX0emQlvaNDRlCRF826NmQppPNDRxQvF8WwrmQf86MDFtElF81xxmQy4/MDd39YF8hAGnQQsWNDh2eTFMaVDnQofvNDlxAmFMRt2mQWmQNDFaMzFsGoamQvxSND51I+FsEo0mQMV1MDtnlaFslzkmQVkuMDFrXxFc8F0mQDw1MDdwmKF8q4GnQHH9MDBvYjFMw6TnQ result_proc0003_0001 < LZfzNDFHUAF87AimQZq5NDNCYxEsZMRmQ0kIODpx77EsLEBmQtQTODZwtLFMWCGmQthEODFCpdEcRzamQD/XODVcMjEcyXomQCbUODRBKmE8pH9mQ8LpOD1ljkEs6pfmQDp6NDlLS/EMEewmQ2QrNDB4QsEcfxImQfiJODtl7SEsh+NmQgG5ND168UEc7tkmQ result_proc0003_0001 < LlOJOD1jIzE8WutlQz3XOD9vy6EsnQdlQ/TuODVp4xE8llglQmAxODJX/fEMIXolQepPODVSy0E8dAHlQiA7NDFXAAFsXiAlQMN0NDBvt5EMyBqkQhmfNDR17EFcrhjkQjlYNDZjs+EsTpNkQvU/NDth0mE8yVqlQZ0YODhoLMFsLWelQ61MOD5SljEcLSGlQcybOD1jn4EcSF7kQiV9NDdhSRFcQJBlQcUuNDpZv7EMCtLlQEwxNDFzcoEc2SpkQQyAOD12/9Ec+uekQa/hNDlFMWFsB9jkQH9SNDdK5AFcS1ukQk5KNDZWdGFMw8JkQ6BWNDRUvuEsFJNkQuDkNDpRpCF8O+CkQ result_proc0003_0001 < LhY+ODJYe+EcBqalQtkUPD9JX3E83vblQjRZPDJChmEMhxKlQx0OPDhT0lEs7F6kQoLhPDly/LFcSvXlQbxSPD5iEZFMk8JlQbr8ODRcnUFsmcSlQgm+ODBii+EcQlalQO1XPDdwAxEcg1rlQzhwPDNwQIFcV+PlQ87kPDR80TFMBDnlQSnUPD9KZUFMGF5kQzIXPDVoFqFsgALlQr/wOD1qxVF8eVFlQG34ODBBIgFMBNflQ result_proc0003_0001 < LzDpPDBR9YEM+HPlQlfwPDBLXJE8uc/kQRZHQDhSCOEszi4kQ2FUQD19pWEM/4ElQFQNQDpjTJEcZ4mkQS0uPD9YVlDMIfIlQvDYPD5CTWD8J2LlQ4KNPD1gVhDcfYelQAFOPD9Ze9C8OZ8kQlY4OD1kmTDc4chlQ5S5ODxlvvCMmd/kQqduODxYu6CMx5RlQvwZODVADtCcX9UlQxFwPDh4dZEMoqdlQhXmPD5RfKEscSxkQuI3PDhKvjD85zXlQfs2PD5s/ODclq9kQ/AVPDJW20Ds4hqlQOoWPD5C10CMk0tkQL1vOD9gRcD8wAwlQecxODNIQcC8xTzkQTlUODVSl3CsibilQ result_proc0003_0001 --- > LgOUOD5OknEsX28mQ0XlOD5SMtE8joLnQ5SdODlW9tEcaninQNWLODVMSnEsdOnnQidvOD5h3CFMirFnQ0MCPD5pYGFMlbSnQ/ofODtE+UFMAdJnQGBFODFTAnEsASCnQrvxODNp7gEMyrKnQNF0ODJztCFse30mQcPNPDNyiMFsusJnQyCnODtTKkFM4JFnQxcRODZAcSFMBp/mQBFbODRHTVFsSRanQ result_proc0003_0001 > LxpqODdvI2EMb/wnQiblODRwk2EcI3DoQejRODFHCEFcJ+FoQu7QOD59AXFsJXDoQ+R4ODpjD/E82SKoQey4ODtNN8EMzCsnQhAiODtyPmEc+ZGoQoI0ODRSS/EM6wSoQqHGPDRju0EcdEJoQwG8ODxAOPF8uqHoQ result_proc0003_0001 > L6UBODF/F6EMbtKoQLBuNDRlgFF8f6NoQqeeND1GtHF8ylEoQ/gNNDdUfRF8NpFoQyNjNDhM+5EMdHXoQ8nbNDp44lE854ToQPZCODdHOqEcPIMoQ0iyNDdThVFcTjQoQg9VNDVinDF8eFaoQ8iuNDRXB4E8hqdoQTnaNDl4dmEctOMoQ result_proc0003_0001 > LuXkNDJwi+EMM72nQ+lWND96v+EsdGknQmWiND5ZlHFMwqQnQBh1NDte7DFsC9NnQXOONDFxPoEM9WfnQ4e/MD90KfEMYgwnQo62MDF8SJE8IIqnQuWoMDB6GAE8sV7nQo1fMDpmaVDclT1nQ8wyNDV3P3E8JE2nQZ/INDdcMJF81TnnQirbNDV7SdE8ghdnQndFNDZeWoEcqRQnQIDyMDB0BqEs5+ynQzOINDd3rdEstg/nQbQENDxNs8Dc1hnnQu6tMDZfrKEMMQbnQ29aMDho7KEcFB+nQpOxMDhAN9D80IFoQSSWMD9vWKDspjAoQJIsMDNk4ADckEznQMUXMDR+5XDsmonnQ result_proc0003_0001 > L1wWND1vOTFsYLDnQDdgNDlDPeF8NCxmQvkkNDFG3OF8+kemQUXaNDZOSQFc3yNmQ4oPNDBTFvFsqLrmQE66MDV4DlF8IZxmQb1/MDd1QZFcszFnQikWNDZngTF8lHDnQIdvNDV01lF8+N2mQnjQNDVeyyFsFAamQh2SND1xD+F8d2zmQhP1MDtxYaFMLmkmQrkuMDRvbxFMkhzmQHk1MDZPBLF8M/GnQxO9MD178jF85iTnQ result_proc0003_0001 > LDmzNDNWKAFMAyhmQry5NDZyHxEM3DRmQ3rIODZSm7EsF3AmQcbTODVNXLFsowFmQQsEOD1JedEMIzamQ9EYODBFKjE8waomQSOUODFSknEcs28mQIfpOD9xUjE86AgmQI66NDFwY/Ec7KwmQsZrNDBa7rEMNrImQryJODVLuSEcvCOmQqQ5NDdPyUE8gtkmQ result_proc0003_0001 > LaQJODdzvyE8litlQf4XOD1HU6EcIBdlQiTuODxdWxEsUUglQB+wODNGefE8rIolQmlPODx9Q0EMazGlQw+6NDtEj/E8mVAlQ7G0NDRnN5EsL3pkQbifND1zfEFMVXjkQIdYNDx+N+EMFhNkQUT/NDZZdmEctNqlQf4YODpBtLFsODelQZtMODxkEjEsRJGlQ9tbODRaA4EMx16kQVY9NDZv0QF8p4AlQ+SuNDJtX7EcviLlQJlxNDJM9nE8HMpkQsrAOD1Ea9EM7hekQ5/hNDlgvVFM6ujkQW5SNDlviAFsStukQvyKNDFoBGFco0JkQQ1VNDFVRuE8YENkQB7jNDdiFCFc0zCkQ result_proc0003_0001 > LfZ+OD1I49EcCUalQjkUPD1Pt2EcdYblQRNZPD9p1lE8aaKlQqvOPDBkKlEMSv5kQnOhPDpmTLFsDWXlQ/1SPDxvZYF8/iJlQTv8ODBL+TFsBCSlQbq+ODxp79EcHRalQQ1XPDF9WwE8FerlQ6jwPDJnhHF8ykPlQvAlPDRKJTFsIpmlQNsUPDlkuTFsgr4kQpOXPDReapFMenKlQ2ExODhOEVF8Y5ElQN54ODdMifFMyuelQ result_proc0003_0001 > L68oPDxyOYEcpwOlQaSwPD9SkIEc2G/kQn5GQDNXmNE8Ki3kQQvTQDJUpWEM7aDlQtYMQDpMvIE8cylkQ7TvPDFn8jDsofIlQizYPD1QEUDsKhMlQaUOPD1Q6eD8DUflQ5pOPDxkq6CMqa9kQ3w5ODNAaQDMR/ilQiG6ODZcKsCc1FBlQ5qvODp182CseyTlQqMbODVVgoCMvcXlQTBwPDFIwYEcGSdlQdxlPDdlSJE8KNxkQGB4PD5fIjDMlnXlQDK3PDZioNDMwo9kQFTWPDFO4yDc1LrlQ34WPDZ/KyCM/oukQrhxODlJ7YDMKwxlQhHyODx1NYCMpN1kQRSWODJQAzCcuBllQ result_proc0003_0001 28c28,52 < SCORE: 3.292 -21.159 5.755 16.647 0.069 1.414 -0.538 -6.985 0.366 -2.547 0.000 -0.615 0.000 0.000 1.115 10.500 -0.891 0.000 -4.092 4.253 .00 1.083 3.000 1.000 result_proc0003_0005 --- > SCORE: 8.903 -29.851 10.643 24.437 0.063 1.325 -0.984 -5.682 0.609 -2.665 0.000 0.000 0.000 0.000 1.945 14.180 -2.153 0.000 -4.092 1.127 .00 1.780 3.000 1.000 result_proc0003_0002 > REMARK PDBinfo-LABEL: 1 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 2 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 3 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 4 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 5 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 6 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 7 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 8 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 9 PEPTIDE_STUB_EXTENSION > ANNOTATED_SEQUENCE: T[DTHR]A[DALA]SKPD[ASP:SidechainConjugation]KPY[TYR:CtermProteinFull] result_proc0003_0002 > NONCANONICAL_CONNECTION: 6 CG 1 N > L/NWODdO+YE8/T/mQPhTOD1BrOEcZEUnQyKWOD1KreEsnQmnQRCNOD978bE8yf3nQphjODdpU4Dcv7WnQs84ODlTQEEcZpVnQePgODhulWD81sFnQ4IlODByLcEc//5mQYXDOD5cJIEM38UnQBPhODNxtpDccmmnQ5k+ODlBGGEsy0jnQ3rrODBLr8Cc3+HnQdBQODxG9JDMRwGnQXqiODp77kDcMA2mQ result_proc0003_0002 > LMuiODV1XvEMWUinQtdqOD9wM9EM+bznQjwYODF8xLFsYr7nQ8mYODV89eFs6O3nQea9ODxYaKF8vvrnQvAnODNckyEcbETnQtovODtnEzE8KVAoQ2ADPD5ypUF8Jt4nQYTKPDJ5w/E80xmnQih4ODBVSUF8JQenQ result_proc0003_0002 > LV2JOD9JkCFsp2DoQb62NDtVMOF83ZHoQtPkNDBb0KF8bg/nQZ4UNDZJJXF8Ee/nQ3owND96FHFcikSoQvaqND1djxEcxoSoQhrLODRyGzE8cBGoQEs6ND5vOfF8hlHoQuhjND1GBRFM8dVoQoG+NDlpXJFM++XoQc7zNDFxVqE8UzNoQ result_proc0003_0002 > L4qlNDdRD6EcDhynQHyVNDtTB2E8p6hnQr5YNDJv9EFcv6OnQyMoND5eWRFc/OOnQQ0WNDJVteEMyianQ4zFNDdFSQEcTXknQEhKND14wLEcK07nQcP6MDBPt4DcNqCoQTL+MDxxzwDM8OOoQAFyND5V1vEMyL0nQH8FNDZdE5EMxjonQEcmNDVICYEsngenQbEVNDFMAeEc8MJnQ9QFNDFiKBEslqbnQvN2MDxw9XEMLFjnQBIKNDhataEMRaCoQIcaNDl/zEEspU9nQC+6MDNMUaDMy08nQuMqMDpq6CEM0sBoQMEzMDlSRcDs6ERoQdP9MDlsXGEM6RSoQO5MNDFmDkDcmNPoQ result_proc0003_0002 > LvTKNDxfuDFshg/mQcnKNDBaHSFMjJtmQcogNDl7mSFcJtimQHwmNDddgiFMg0YmQcw5MDlfZIF8mPemQqSpMDNGh/EsVCtmQpA2MDxyF2EMRM/mQShJNDxUYDFM2T/mQF4FNDptPiFs2WymQnHBNDx5F8EMkCUmQZVzMDJ3yUFswhTmQ+dfMDhqhzEM5skmQIXeMDxpQMFMcUymQHm5MDpuNlE8lt7mQo2sMD5Yi3EcwJOnQ result_proc0003_0002 > L1esNDJjGBFML9kmQkJCODpPy/EMeacmQFORODJD2OFc+PomQvikODRH1OF8pbkmQvkKOD9f1oEcP4dmQJiFOD1xOeEcjOzmQhPWODVS/YEc8R/mQOAzNDVsQbEsm33mQhUmND9RY0E8TysmQ6xBODtghEF8JoLmQd3bODRt0oEsglbmQolDODJYPfEs6FRmQ result_proc0003_0002 > LPRIODJ8rbF8ko2mQtWUODh2qsFc9GBnQbWdODVra8Fc60wmQIcRODZT+CGceXkmQgTGODFGc4FMyURnQqvRODpWDFGcsmdnQMODOD54/JG8wcunQZoOODtm0SG8bv6nQD2AOD9wfXGcI4FoQRs4NDlXoZF8Na6mQ5zhODNlelFsukJnQyBAODdtCtFcj8cnQSr4ND9tl/FMUHJnQw2WODVsRLG8nfSnQu3fODJWxBGssblnQ8E+NDtM1DGcRr5nQrF1NDJcWNGcVvmnQ4UTODhsJZGsluvnQqDdODJimPGsBEBoQv+IODpRTdGclwJoQdo8NDB5tRGc2HLoQTjzNDRYpaGMMiCoQ result_proc0003_0002 > LNcyODBVF/FshAxmQJ78ODZdaHG8pWjmQoH0OD9cmSGsaVnmQjZvODR/iVGMth5mQbdUPDVGiGGMQ+pmQsiWPD9d02F8JUymQl3BPDJm2yFchB+mQiOyODlUC/F8eNxmQaw6ODVbHFGMNgSmQbPYPD93oMGMdE2mQ62ePDBPFIGMWHcmQrnkPDBhj1F8Uz8mQrEZPDdwjrFsyBlmQrIDPDpTD5FMocOnQ6Z+ODRQmhFcgJ+mQ result_proc0003_0002 > LT8xODxqzYG8rNWmQxNsODp5EkGs9DYmQEm7ODZBHrGMbbLmQdcEPDV8tnGMVM7lQcN/ODBvE0GsXRRmQzNVODdb5lG8dfQmQIgEOD9B7gG8L5emQWC9NDRlrWGsnuamQEp8NDNammG8xQwmQYxtND9xISG8c4nmQPYtNDdpDiG8fa9mQ88lNDtm3XGMUR5mQ7vWNDp+VTGsvXGnQNU0ODhwoVGMmiHmQfXtODtlZmGsl1omQQPTODFYliG8tdAmQgDSODpIduGsWgPmQzNDODh7NSGsyENmQQhCODZPpuG82izmQF6nNDp6FKG8DnkmQYNnNDlJhmGc3ELnQhnTNDdwOMGsCfBnQ result_proc0003_0002 > SEQUENCE: TASKPDKPY > 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: 10.332 -21.701 4.779 19.141 0.060 1.158 -0.048 -4.093 0.333 -1.147 0.000 0.000 -0.022 0.000 1.608 8.112 -2.106 0.011 -4.092 8.340 .00 1.131 1.000 1.000 result_proc0003_0005 40,48c64,96 < LV4UODNUEmEcx26mQexlODNAKqEMnaKnQekcODpNktE8XugnQx5JOD52woEcqxknQyPzOD1dv9EMI8DnQtbFPDFIf/EMpzRnQc/lODBGGSFcccFnQjdFODRihmEMHr/mQiQwOD9hOcEsb/KnQ434ODFlx7EsXjzmQ7TSPDtY0+EsDdJnQSxvOD1CxfFMezAnQ2PYOD5J5QF83x6mQncgODhpOUF8B1VnQ result_proc0003_0005 < L2xpODpl41EMAKvnQCpjODJhG4EcsxCoQK0PODBBFGFsT9DoQQ2NOD1PpWFcfc9nQ8E2ODJhTBFsvQJoQyc4ODdEz6E8cfqnQJxfODx3PoEck2FoQ3PxODRW3CFssmRoQN2DPDd+p2E88tIoQ1W6ODJl+QF8iHGoQ result_proc0003_0005 < LeJBOD1cT/Ece3KoQ4AuNDBVzLFcINNoQ+mdNDh41JFcxPEoQsRMNDdOITFcF0EoQgNkNDpXiEFMIsXoQ0IdNDVpTvE8YAXoQ0TDODxXIxE8EmOoQ8kyNDNplcF8J7NoQQ0WNDZb7OFsbuZoQqAwNDRT+FFM8DeoQT4WNDdY0tE88BQoQ result_proc0003_0005 < LeLjNDh8s9EMC93nQMMVNDlp+6EMCflnQRhgNDlSRBFM/1QnQnksNDZ1p0E8HtHnQUTNNDV62jEcyCknQGq9MDpWrfEse1RnQd81MD9xlIEsi7RnQfxmMDFwOEEMXZ/mQPGfMDBnYbDsKS/mQQexNDlpK2E8lL4nQcYHND5KeFFc0ZnnQ8bFNDpmcfEMj+ynQm7aNDVOLZE8s8hnQ+cFNDh6/iEcIlCnQu5vMDdARqEc5bTnQmrtMDZRRFEcO8gnQJpDNDZgv7DMxqQnQS6uMDp/dHEcWVwmQ5+YMDZ81OEMsiAnQFGVMDRC7WD8MyymQCQXMDZEMVDM6ENnQRurMDFvZHDcs69mQ result_proc0003_0005 < LJlcNDRl2UFMUkJnQsMpNDB8TeFsHY4mQvMpNDlXFQF8qlkmQmQdNDRZ7TFsxZVmQ+wdNDVvlzFMcN0mQckVND1uH6FcjoJnQIsONDBgelFss9TnQtscNDF2jVF8llJnQqo5NDx6/gFsNE+mQO7QNDh3TxFM/YomQqCpNDlkP/FMnXtmQlTINDBnxCGMz1HnQRMiND9rLBGMvtSnQls9MDl2hiFsKdQnQ1XRNDhzamFMTVlnQ result_proc0003_0005 < LTq2ND5eo/E822kmQ+P6NDV5ayEMC+RmQM/GODtmf+E8uDBmQbyTODlUjMF86MGmQ4AGODB2zdE8OBYmQzNZODVJwhEMVfmmQN5UODZTEmEsj26mQJ6qODVyvgEs7wemQQn+NDlNM8E81fymQnwqND9hMuEsOJLmQlfLODdNxVEsqiJmQkA7NDxCATEs0KgmQ result_proc0003_0005 < LzZDODtS74Ec12slQGuOODNHEDF87JblQflXODpbcyEcJsLlQ/EOODt1HuE8Y/6kQE9/ND1AkSFM8SPlQJ73NDheKlFcW1clQ4MpNDVotzFMlBQlQh4gNDdjDDG8GodlQkVSNDh7MKGsmVRlQzj4ND15XtEclrplQ0McODFnDMF8HohlQxCyNDda6JF85SJlQsVIOD51MZFc/gBlQ+gFODNieuFsVlilQGOvNDhr/eFsunqlQZpbND15eqFsFDKlQG5xND1ZP6F8wYClQ/TuND9LwHGcqijlQXNYNDZuv/F8cWrlQQLNND5sLQGc75alQkpFNDJH9FGsOBMlQsSaND1zUNGsGvElQ result_proc0003_0005 < Lx2pODtYKpEcKWRlQ8+zODJ+5YEs2BElQXf4ODBMahEsyotkQg09ODFlK0Ecw2qkQ7sIPDJp9TE8OKQlQGjDPDVCGZEs63mlQQi1ODNKpsEMXkllQZwpODxzPpEMPZRlQNlpODhmuKEMTSDlQ04VPDx8tdEMwxJlQQLNPDZpGDEMC0NlQBWSPD5S9bEMw9vlQJd7ODt9cLEsBgulQ+m/ODR5D7Ese7klQA2qODBsJtEMhizlQ result_proc0003_0005 < LZU2ODhRgTEcCtdkQIA7ODJSWZEcEnHkQiLPPDxZPOEcMp/jQ8aUPD1oM5DcSqGkQxLaPDB+rWEcnXyjQOCoODtq6TEs/G5jQ8cUODd+jhEMtH9jQgEGODV/6bEcpDNkQG4QODFltzEMX3wjQ3L0ND1mYoE8GuQkQm/+NDhFLAF8yh0jQ9rwNDZ+j6E8bYEkQ73eNDdX+GF88BIkQ0SxOD57fEE8x+gkQ3z9ODRTjqEMV6GkQ3kjODJSMDEsfX7jQitsODVZ4VE8ibojQa4IODd2pNE8NsWkQ5LcODN0J4E8nWkjQ24oNDBD9jEMSPdkQJM8NDZvcOFsw5qjQsyWNDJqABF8/pTkQ result_proc0003_0005 --- > Lw+1ODR1z4EMyO5mQo79ODB2m5EscJPnQSrvODtTwsEsvKenQpvuODt+HZEcg2cnQwj/OD9h2QF8yJXnQwtqODhHbaF8TQXnQZTOPDNX0dFcnxInQBkAPDpsp4EMOBtmQR4NPDVAjyE8pgPnQu2FPDZy+QFscannQoBgODt6YPFcOfXnQ5QPPDtnMuFcfrOnQxNePDR3rWFcuzInQgAIPDl/3dF8ih4mQ result_proc0003_0005 > LhlkODBQ83EMbcsnQwuXODJ6gtEsc48nQywHOD1aD9EMSYDoQ12JODN/fQF89NCoQ+EmODF+BkEMvDHoQvElOD9aFIF8R5rnQjsOODtDpgEMzV1nQvPcOD1WTcE8vINoQtxwOD1yQYEMteDoQefvODRctwEsGvKoQ result_proc0003_0005 > LTz3NDlMX0EsP5IoQPcnNDJpcBF8oBOoQVPYNDViDLFcPzFoQAPNNDNFyaF8dAIoQF8aND1aK0EsZBWoQ86ONDd3UkEsy1QoQy+2NDhsRkEsIjJoQIUvNDdKhOFc3QSoQfUQNDZUi+EsBmaoQj9lNDJUusEczpboQbmANDlyzpEs7XQoQ result_proc0003_0005 > L4sXND1XgBFsYn4nQEiLNDVbWKFsTymnQv6ZNDlFuOFcomTnQyTrND1KqFFMKxRnQsZ5MDVYM7EMYbgnQsEoMDZZk4Es1WxnQCDWMDdIRqEMnapnQUpEMDxPwnEMTQ6nQt5yLDlUyZE8QtynQy7fNDx+wzEcqe2nQrlENDR8iZFcb0rnQH9/MDVbZrEc3+cnQIzxMDZSABF8+1RnQchhMDFqNIFsid1nQp/uMDZ8hxEsbu/nQZbcMDZAhaEMPclnQTCPMDRBMxEcoBbnQVJ+LDhOa3E8JS+nQffLMDRSzgEsqWEoQGunLDVghYEs4T+nQGt4LDR5GLE8ANvnQGOsLDxiOgE8selnQ result_proc0003_0005 > L5jSNDZGqcF8gVFnQOMeNDxGXhFMyqxmQiBlNDZd4MFc6WmmQH+XNDx0o+Es9himQv0NNDl58tFcfdkmQiuANDZxa5FM4w0mQeP+MDhQipFs7sGnQ5MSNDpSAdF81VFnQUNsNDpWTrFsCe1mQnTENDpg7iFM6kamQUHWND5t44F8IcZmQBTxMD9OS+Fce1tmQG5INDlDFEGsK25mQDCwMDZMkfFc4yDnQ1x8MDZ/HyFsm/VnQ result_proc0003_0005 > L5j5NDZEgLFslChmQE+CODhag3E8JkZmQQQ+NDhq1zEs77BmQdqMODZRp0EsFi0lQlLbOD1Xg3EsIQdmQULhODRPS4E8s20mQJ+1ODF2z4EsnP5mQY9SODBOY4EcA9BnQR5CODFCpYFsPNimQ+87NDlyWqEcZoimQwSiOD9CRFFsuOVmQXJiOD9rJpEsdMWmQ result_proc0003_0005 > Ld/pNDVjzvE8N78lQmJjND9BEtEMtymlQzmTND5saaE8inklQ/QJNDBADUEc6H0lQN3YND9gnBFcEZelQ7/DNDZ2qHF8cbplQRC7MDVCgcF8WlglQYUlMDVmphFMrTqlQHScMD9B71F8BshlQ7CfNDZ9muE8NwImQtLxNDRRepEcGEdlQ1mVNDhy8/EMZVNlQd/jNDFO6OFcwUglQhyGNDRagJF8nj6lQiR4MDpK/6EcREnlQNW5MDBcObFsjQPlQcDGNDh/ipF81HklQr4mMDFmGjFMYm7lQLMaMDZTqUFcC6mlQL6NMDVXw4Fs/golQheaMDRXp0FM/qRlQUUmMDllEBG8zAllQ result_proc0003_0005 > LvBSNDxDuRE8KSRlQeLCNDhRSBEchfMlQ+nrMDdNFJEsZcRlQPVmMDBerbEcfsNlQpVFND5P06Dcwf0kQ+5bNDJx9DEcnbwkQ+JfNDhPRXEc7d+kQ1HSNDxDISEc0dRlQ64FNDRIllDcnwVlQdt5MDtV4GEcTSrkQiWCNDtR+YDsDswkQsNeNDhdiHEcnWfkQ13mNDxGktD8NZ0kQ2QZNDVJolEcuK2kQxPwNDVJ6YEspVClQ result_proc0003_0005 > LhYeMDhUg1Dsw4ZlQ31HMD1uE/D8PhdlQYe5LDxCSfD845RlQkZ/LD5qP6CcfwOlQlJoLDNwOqDsssLlQB2CMDdxG/D8Vf1lQzfMMDJPPSEc3dBmQj0gMDpTgQEM0NKmQxBBMDFkGlEc1sDmQzopMDtgkhEs5JVmQ81JMDdnK2Es0oOmQ7DeMD1Qc0EM3VXmQ41mMDJDcFFsHPimQFFkMDhuVYD8E5dlQjcEMDdmZPEMoGXlQvyIMDFUnhD8Rs8lQskxLDpi2/DMU13lQl1pMDZOrBEcbdImQGExLDBGemEs7z8lQjm5MD9XNgE8vBcmQO1AMDdCAFF8eYQmQ+h1MDtvWCF8QhlmQ result_proc0003_0005 > SEQUENCE: TASKPDKPY > 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: 11.283 -25.965 9.606 19.058 0.068 1.445 -1.245 -0.903 0.423 -1.006 0.000 0.000 0.000 0.000 1.036 9.004 -0.646 0.000 -4.092 4.501 .00 2.410 1.000 2.000 result_proc0003_0004 > REMARK PDBinfo-LABEL: 1 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 2 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 3 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 4 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 5 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 6 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 7 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 8 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 9 PEPTIDE_STUB_EXTENSION > ANNOTATED_SEQUENCE: T[DTHR]A[DALA]SKPD[ASP:SidechainConjugation]KPY[TYR:CtermProteinFull] result_proc0003_0004 > NONCANONICAL_CONNECTION: 6 CG 1 N > LVQpODd4HgE8yy7mQFIrODhNJQE86rMnQwxgOD5x5XE88VhnQKKSODVHuNEsjvpnQxtCPDF/ZKEsR5QnQE/LPDhnjBEM339mQzdEPD5hc0DcF/inQrF1ODp2chEMm3wmQayiOD9gsBE8hlHnQphLPDBJ0YEs5OVnQOJVPD9inrDc7oBnQvPVPDFcusD8SvlnQDm9ODpZ+AE8VhxnQE07OD5TcXDsRrenQ result_proc0003_0004 > LhcoOD5a/pEcvdpnQuigOD1+syEcDn9nQuWWODpimIFcWW6nQTRgODpYHXFshdxnQelyOD1qG0E8v8GoQHD0ODRP6xEshehnQyPUODVa8nEM22BoQwbsODRyo6EsTbOoQ+F5OD9ZLkEMZYIoQHK/ODpXf+E8p4DoQ result_proc0003_0004 > L+fCODJ94KFM+yAoQ872NDpwCfFsjg/nQcwkNDVbJdFcxYvnQmHaNDVv6sF8DSqnQkJuND1c5lFM2hKoQFWfNDRR9WF8LaOoQpO7NDNDW+EsQXEoQPDCODNjPrFMw05nQmfmNDpLf1F87wJoQoQ7NDlPmnFMMNQoQ2FXND98dSF8OVIoQ result_proc0003_0004 > LLRhNDNIwJFMZannQoDQNDdgqFFsKNYnQAFTND13NwE89BNnQu7YNDlYVgEccGXnQuV6MDlHTGFs8djnQLNnMD1w1DF8MlUnQqQSMDlDJEFMr+gnQyH/LDtSyBFskHSnQsgqLDRPBCFsVCenQQyqND5lh9EsMAsnQ9XQNDtWISFMHAMnQXn4MDlvcVFcX8rnQ3j5MDNji5E8jVvnQsdoMDFcv0EsF7LnQnInMD5c3QFMy/InQf3QMDNoMTFMqspnQ7HSMD9/C3EMxfsnQ8XAMDhxxyEcyWJnQgE/LDh62OFc2kGnQmPeLDtfbAF8doTnQbCpLDB8AQF80/lnQRPqLDd1x1EcMlonQ result_proc0003_0004 > LODPNDJ62vEMPK4mQ71LNDFneDFsJ9rmQktgNDdS0PF8bdpmQ7pgND1EtiF853jmQAkDNDRNR7EMPZWmQWmONDlCVmEskeTmQ+YPNDp01cEcrmpmQKCPNDlx8vEced3mQPu/MD5jYNF8HA0mQRYHNDxC1GFcwrJmQPCyMDJlv5EcO3WmQumeNDlXzoEstlMmQ8qFND1MScEcOHImQBReNDlcoTEMQhrmQ4VBNDVEiSE8PFsmQ result_proc0003_0004 > LLjyNDd9BFFshotmQdoHODZRbOFM9PqmQnsNODxRTdFMAl8mQ86BOD9dVfFMBPMnQRkYODRF58EsK5nmQfZYODlUAtEMYX6mQfPpOD9YHgE8C07mQpQJODx8CtEc2YGnQhexNDlu71EM7SzmQQOHODFkyXFcOibmQAZoODx5KEFM67mmQj5VODZkL0E87AZmQ result_proc0003_0004 > L8IgOD5RrnFsTi6mQXenODlw62FMemKnQzd8OD5xsvFsgqUnQ20IPDVe6jFcm2KnQDFqODtWlGGs5vAnQYVVOD5ajLGcet4mQSBZODJH0WGciPwmQOYEODNFubGMt2nmQXxHODFztmGceYfmQKUpOD1v7kFcOhtmQjgbODRAz3FMRRXnQ0K1ODxUKGGsvTzmQh+wODtz/LGMujMnQWwJODxg4LGs+vFnQXuOODxBoGGcN8rmQsvkOD5wkWGMrUjmQLSfOD9c2bG8sB9mQ3n4NDh0DcGcos0mQu89NDtRuWGs3FbmQJv5NDNcrpGM2+ZmQIcSODJdemGciPTmQecNOD10drGMDKrmQ result_proc0003_0004 > LEaAPDJy12Fs9SonQQxSPD9KYvFcRm0nQQJnPDJK+6Fsm7tnQYiwPD9ZcDGcXf6nQieMPDRXt0Fsy1FoQE4+ODxVGEGs61EoQF7xODdPOCGscu1nQtQAPDdf92FsVsonQNiUPD1TAeFsnZynQP6aPDhva3FcOsKoQ56DPD5hHnFMJcJoQZ+IPDtTSLGcZTEoQ110ODlMDFG8kAMoQriuODNe7JGMn7tnQH9iODZsL8F8y55nQ result_proc0003_0004 > LG6tPDxNa3F8AGanQ+0BQDBsRAGM2GSnQWkQQDx1PvFMTUJnQmMJQDBrzeFs+WBnQPnjQDRQjxFcgGKnQtP9PDZKrIGs74AnQBbyPDxFpSGc+UJnQQgcPDhGsSG8m0MnQXa+PDx9ubGcikNnQmnSPDVvybGM2hUnQzh0PDZh1kGMtRVnQVuePDJh4kGcLwYnQO4UPDJz8tG8abgnQSBlPDtQIuFs2SQnQbFKQDRLJEGMuYfnQ4BzPDVINFGMaj0mQ8LMQDxvCLGshQ5mQCFTPDFsiLGsIfJnQxoPQDlbsbG8z1KnQtZBPDxG1bG8gRXnQL99PDh0+rG8/nYnQTYfPDRjdzGsefinQ result_proc0003_0004