From mailer@bialko.llnl.gov Sat Jun 15 15:31:28 2002 Date: Sat, 15 Jun 2002 15:31:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:04:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_160459_10771 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131SS007_1 Current information on models submitted in prediction T0131SS007 MODEL_INDEX PIN CODE DATE E-mail T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 100 # Number of residues with nonzero confidence: 100 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP METHOD samt99 METHOD This prediction was derived from the following methods METHOD by averaging the corresponding probabilities: METHOD Method 0: METHOD TARGET seed-seqs-19906.a2m(1) METHOD Using neural net overrep-2500-IDaa13-5-9-7-10-5-9-11-ehl2-seeded2-stride-trained.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 9 METHOD 7 10 METHOD 5 9 METHOD 11 3 (1 EHL2 ) METHOD The input amino acid frequencies were determined from METHOD alignment /var/tmp/hmm-target99-work-12015//target-align-12015.a2m METHOD with weighted counts, using EntropyWeight(1.4 bits/column, 10) METHOD The weighting was determined by the posterior distribution METHOD after regularizing with /projects/compbio/lib/recode3.20comp. METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 14.154 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-19906.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc58.18424/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Jun 5 14:20:00 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-12015//target-align-12015.a2m METHOD METHOD guide seq name: seed-seqs-19906.a2m(1), 100 bases, 84FD25BE checksum. METHOD ###end 0 MODEL 1 M C 0.68 S C 0.648 L C 0.62 K C 0.538 L E 0.461 V E 0.598 E E 0.663 I E 0.703 L E 0.667 V E 0.637 L E 0.444 G C 0.559 Q C 0.42 V E 0.557 L E 0.617 R E 0.613 L E 0.585 N C 0.464 V C 0.678 P C 0.705 I C 0.575 E C 0.556 Q H 0.5 E H 0.717 E H 0.776 L H 0.78 L H 0.809 R H 0.816 Q H 0.824 A H 0.822 A H 0.82 R H 0.809 N H 0.793 L H 0.778 D H 0.759 I H 0.803 L H 0.792 V H 0.803 S H 0.812 E H 0.81 M H 0.774 K H 0.727 E H 0.699 K H 0.643 T H 0.5 G C 0.547 L C 0.442 I C 0.425 Q C 0.508 L H 0.617 D H 0.649 R H 0.676 V H 0.681 L H 0.685 S H 0.692 I H 0.704 V H 0.709 A H 0.709 L H 0.683 N H 0.659 L H 0.654 S H 0.678 F H 0.723 E H 0.732 L H 0.763 S H 0.736 Q H 0.725 E H 0.7 K H 0.663 N H 0.679 K H 0.668 T H 0.662 A H 0.692 K H 0.71 I H 0.746 E H 0.784 E H 0.811 V H 0.808 L H 0.829 R H 0.836 T H 0.831 G H 0.816 I H 0.862 Q H 0.87 Q H 0.867 L H 0.837 D H 0.803 H H 0.806 S H 0.762 L H 0.799 E H 0.798 N H 0.796 I H 0.78 R H 0.756 V H 0.705 T H 0.608 K H 0.506 E C 0.533 P C 0.619 H C 0.69 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:08:39 2002 Date: Wed, 26 Jun 2002 12:08:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0131 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:41:51 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_529073_10990 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131TS007_2 Current information on models submitted in prediction T0131TS007 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1AFR_B # Loading PARENT structure: 1afr (chain: B) # Number of residues in PARENT structure: 345 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue N 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue M 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0131 # Total number of residues in target: 100 # Total number of residues in model: 36 # Total number of atoms in model: 36 # Number of atoms with 1.0 occupancy: 36 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 36 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1AFR_B ATOM 71 CA GLN 29 2.444 3.906 30.972 1.00 1.00 ATOM 72 CA ALA 30 -0.830 1.979 31.123 1.00 1.00 ATOM 73 CA ALA 31 -1.764 2.732 27.533 1.00 1.00 ATOM 74 CA ARG 32 -0.987 1.002 24.250 1.00 1.00 ATOM 75 CA ASN 33 0.327 4.315 22.978 1.00 1.00 ATOM 76 CA LEU 34 3.004 4.622 25.678 1.00 1.00 ATOM 77 CA ASP 35 5.851 3.782 23.298 1.00 1.00 ATOM 78 CA ILE 36 4.904 6.166 20.519 1.00 1.00 ATOM 79 CA LEU 37 4.180 8.844 23.131 1.00 1.00 ATOM 80 CA VAL 38 7.657 8.496 24.655 1.00 1.00 ATOM 81 CA SER 39 9.224 8.354 21.192 1.00 1.00 ATOM 82 CA GLU 40 7.553 11.606 20.180 1.00 1.00 ATOM 83 CA MET 41 8.474 13.403 23.401 1.00 1.00 ATOM 84 CA LYS 42 12.069 12.458 22.661 1.00 1.00 ATOM 85 CA GLU 43 12.008 13.578 19.016 1.00 1.00 ATOM 86 CA LYS 44 10.629 16.971 19.959 1.00 1.00 ATOM 87 CA THR 45 13.313 17.205 22.666 1.00 1.00 ATOM 88 CA GLY 46 16.041 17.053 20.002 1.00 1.00 ATOM 89 CA LEU 47 14.560 20.248 18.529 1.00 1.00 ATOM 90 CA ILE 48 15.111 22.028 21.861 1.00 1.00 ATOM 91 CA GLN 49 18.640 23.482 22.431 1.00 1.00 ATOM 92 CA LEU 50 20.945 22.811 25.359 1.00 1.00 ATOM 93 CA ASP 51 20.635 26.482 26.365 1.00 1.00 ATOM 94 CA ARG 52 16.974 25.923 27.122 1.00 1.00 ATOM 95 CA VAL 53 17.646 22.612 28.919 1.00 1.00 ATOM 96 CA LEU 54 20.145 24.230 31.279 1.00 1.00 ATOM 97 CA SER 55 17.447 26.732 32.351 1.00 1.00 ATOM 98 CA ILE 56 14.690 24.139 32.469 1.00 1.00 ATOM 99 CA VAL 57 16.990 21.964 34.635 1.00 1.00 ATOM 100 CA ALA 58 17.793 24.827 37.008 1.00 1.00 ATOM 101 CA LEU 59 14.079 25.509 37.389 1.00 1.00 ATOM 102 CA ASN 60 13.393 21.824 38.073 1.00 1.00 ATOM 103 CA LEU 61 16.162 21.569 40.710 1.00 1.00 ATOM 104 CA SER 62 14.749 24.593 42.532 1.00 1.00 ATOM 105 CA PHE 63 11.289 23.001 42.613 1.00 1.00 ATOM 106 CA GLU 64 12.680 19.697 43.882 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:08:50 2002 Date: Wed, 26 Jun 2002 12:08:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0131 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:42:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_534474_10991 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131TS007_1 Current information on models submitted in prediction T0131TS007 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1AFR_A # Loading PARENT structure: 1afr (chain: A) # Number of residues in PARENT structure: 345 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue N 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue M 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0131 # Total number of residues in target: 100 # Total number of residues in model: 36 # Total number of atoms in model: 36 # Number of atoms with 1.0 occupancy: 36 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 36 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1AFR_A ATOM 71 CA GLN 29 72.377 3.781 25.120 1.00 1.00 ATOM 72 CA ALA 30 75.614 1.828 24.894 1.00 1.00 ATOM 73 CA ALA 31 76.632 2.604 28.479 1.00 1.00 ATOM 74 CA ARG 32 75.874 0.820 31.764 1.00 1.00 ATOM 75 CA ASN 33 74.652 4.159 33.046 1.00 1.00 ATOM 76 CA LEU 34 71.917 4.485 30.400 1.00 1.00 ATOM 77 CA ASP 35 69.050 3.680 32.798 1.00 1.00 ATOM 78 CA ILE 36 70.064 6.022 35.588 1.00 1.00 ATOM 79 CA LEU 37 70.833 8.687 32.968 1.00 1.00 ATOM 80 CA VAL 38 67.322 8.406 31.518 1.00 1.00 ATOM 81 CA SER 39 65.785 8.291 35.019 1.00 1.00 ATOM 82 CA GLU 40 67.621 11.476 36.049 1.00 1.00 ATOM 83 CA MET 41 66.679 13.234 32.826 1.00 1.00 ATOM 84 CA LYS 42 63.051 12.414 33.648 1.00 1.00 ATOM 85 CA GLU 43 63.208 13.491 37.303 1.00 1.00 ATOM 86 CA LYS 44 64.615 16.920 36.379 1.00 1.00 ATOM 87 CA THR 45 61.901 17.255 33.689 1.00 1.00 ATOM 88 CA GLY 46 59.196 17.051 36.357 1.00 1.00 ATOM 89 CA LEU 47 60.690 20.207 37.931 1.00 1.00 ATOM 90 CA ILE 48 60.174 21.993 34.592 1.00 1.00 ATOM 91 CA GLN 49 56.718 23.581 34.173 1.00 1.00 ATOM 92 CA LEU 50 54.358 22.949 31.236 1.00 1.00 ATOM 93 CA ASP 51 54.725 26.608 30.251 1.00 1.00 ATOM 94 CA ARG 52 58.361 26.002 29.396 1.00 1.00 ATOM 95 CA VAL 53 57.571 22.757 27.568 1.00 1.00 ATOM 96 CA LEU 54 55.063 24.411 25.223 1.00 1.00 ATOM 97 CA SER 55 57.788 26.879 24.156 1.00 1.00 ATOM 98 CA ILE 56 60.473 24.229 23.957 1.00 1.00 ATOM 99 CA VAL 57 58.115 22.121 21.796 1.00 1.00 ATOM 100 CA ALA 58 57.343 25.033 19.492 1.00 1.00 ATOM 101 CA LEU 59 61.065 25.629 19.046 1.00 1.00 ATOM 102 CA ASN 60 61.626 21.921 18.311 1.00 1.00 ATOM 103 CA LEU 61 58.790 21.796 15.747 1.00 1.00 ATOM 104 CA SER 62 60.259 24.770 13.918 1.00 1.00 ATOM 105 CA PHE 63 63.680 23.038 13.784 1.00 1.00 ATOM 106 CA GLU 64 62.189 19.796 12.478 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:09:19 2002 Date: Wed, 26 Jun 2002 12:09:14 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0131 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:42:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_537276_10993 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131TS007_3 Current information on models submitted in prediction T0131TS007 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1AFR_C # Loading PARENT structure: 1afr (chain: C) # Number of residues in PARENT structure: 345 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue N 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue M 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0131 # Total number of residues in target: 100 # Total number of residues in model: 36 # Total number of atoms in model: 36 # Number of atoms with 1.0 occupancy: 36 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 36 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1AFR_C ATOM 71 CA GLN 29 17.585 7.713 28.921 1.00 1.00 ATOM 72 CA ALA 30 20.840 8.881 27.354 1.00 1.00 ATOM 73 CA ALA 31 21.843 5.380 26.189 1.00 1.00 ATOM 74 CA ARG 32 21.110 3.380 23.051 1.00 1.00 ATOM 75 CA ASN 33 19.803 0.587 25.248 1.00 1.00 ATOM 76 CA LEU 34 17.083 2.755 26.802 1.00 1.00 ATOM 77 CA ASP 35 14.277 1.111 24.872 1.00 1.00 ATOM 78 CA ILE 36 15.243 -2.475 25.605 1.00 1.00 ATOM 79 CA LEU 37 15.971 -1.553 29.240 1.00 1.00 ATOM 80 CA VAL 38 12.456 -0.126 29.640 1.00 1.00 ATOM 81 CA SER 39 10.980 -3.069 27.766 1.00 1.00 ATOM 82 CA GLU 40 12.672 -5.547 30.095 1.00 1.00 ATOM 83 CA MET 41 11.686 -3.601 33.203 1.00 1.00 ATOM 84 CA LYS 42 8.110 -3.857 31.936 1.00 1.00 ATOM 85 CA GLU 43 8.222 -7.555 31.077 1.00 1.00 ATOM 86 CA LYS 44 9.552 -8.457 34.559 1.00 1.00 ATOM 87 CA THR 45 6.825 -6.333 36.134 1.00 1.00 ATOM 88 CA GLY 46 4.156 -8.530 34.574 1.00 1.00 ATOM 89 CA LEU 47 5.568 -11.429 36.625 1.00 1.00 ATOM 90 CA ILE 48 5.016 -9.433 39.823 1.00 1.00 ATOM 91 CA GLN 49 1.490 -9.749 41.317 1.00 1.00 ATOM 92 CA LEU 50 -0.861 -6.891 42.224 1.00 1.00 ATOM 93 CA ASP 51 -0.578 -7.875 45.916 1.00 1.00 ATOM 94 CA ARG 52 3.093 -6.895 45.851 1.00 1.00 ATOM 95 CA VAL 53 2.410 -3.686 43.914 1.00 1.00 ATOM 96 CA LEU 54 -0.143 -2.501 46.458 1.00 1.00 ATOM 97 CA SER 55 2.553 -2.781 49.174 1.00 1.00 ATOM 98 CA ILE 56 5.296 -1.297 47.032 1.00 1.00 ATOM 99 CA VAL 57 2.996 1.658 46.207 1.00 1.00 ATOM 100 CA ALA 58 2.136 2.156 49.872 1.00 1.00 ATOM 101 CA LEU 59 5.843 2.198 50.668 1.00 1.00 ATOM 102 CA ASN 60 6.538 4.718 47.883 1.00 1.00 ATOM 103 CA LEU 61 3.710 7.055 48.944 1.00 1.00 ATOM 104 CA SER 62 5.113 7.106 52.459 1.00 1.00 ATOM 105 CA PHE 63 8.554 8.046 51.134 1.00 1.00 ATOM 106 CA GLU 64 7.130 10.842 48.941 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:09:30 2002 Date: Wed, 26 Jun 2002 12:09:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0131 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:42:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_538677_10994 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131TS007_4 Current information on models submitted in prediction T0131TS007 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_4 PIN_538677_10994 6269-7633-6117 06/26/02 11:42:47 casp5@bialko.llnl.gov T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131TS007_4 PIN_538677_10994 6269-7633-6117 06/26/02 11:42:47 casp5@bialko.llnl.gov T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1AFR_D # Loading PARENT structure: 1afr (chain: D) # Number of residues in PARENT structure: 345 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue N 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue M 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0131 # Total number of residues in target: 100 # Total number of residues in model: 36 # Total number of atoms in model: 36 # Number of atoms with 1.0 occupancy: 36 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 36 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1AFR_D ATOM 71 CA GLN 29 29.886 2.773 25.929 1.00 1.00 ATOM 72 CA ALA 30 26.644 3.600 24.155 1.00 1.00 ATOM 73 CA ALA 31 25.667 6.283 26.698 1.00 1.00 ATOM 74 CA ARG 32 26.382 10.027 26.837 1.00 1.00 ATOM 75 CA ASN 33 27.713 9.455 30.323 1.00 1.00 ATOM 76 CA LEU 34 30.474 7.028 29.224 1.00 1.00 ATOM 77 CA ASP 35 33.351 9.447 29.659 1.00 1.00 ATOM 78 CA ILE 36 32.350 10.647 33.141 1.00 1.00 ATOM 79 CA LEU 37 31.596 7.051 34.189 1.00 1.00 ATOM 80 CA VAL 38 35.092 5.950 33.110 1.00 1.00 ATOM 81 CA SER 39 36.658 9.043 34.692 1.00 1.00 ATOM 82 CA GLU 40 34.963 8.311 38.016 1.00 1.00 ATOM 83 CA MET 41 35.890 4.630 37.897 1.00 1.00 ATOM 84 CA LYS 42 39.524 5.751 37.532 1.00 1.00 ATOM 85 CA GLU 43 39.398 8.372 40.267 1.00 1.00 ATOM 86 CA LYS 44 38.116 5.861 42.818 1.00 1.00 ATOM 87 CA THR 45 40.774 3.351 41.706 1.00 1.00 ATOM 88 CA GLY 46 43.491 5.784 42.770 1.00 1.00 ATOM 89 CA LEU 47 42.105 5.508 46.297 1.00 1.00 ATOM 90 CA ILE 48 42.601 1.732 46.160 1.00 1.00 ATOM 91 CA GLN 49 46.099 0.498 47.200 1.00 1.00 ATOM 92 CA LEU 50 48.396 -1.739 45.172 1.00 1.00 ATOM 93 CA ASP 51 48.065 -4.405 47.890 1.00 1.00 ATOM 94 CA ARG 52 44.406 -4.779 47.013 1.00 1.00 ATOM 95 CA VAL 53 45.073 -4.730 43.244 1.00 1.00 ATOM 96 CA LEU 54 47.607 -7.566 43.438 1.00 1.00 ATOM 97 CA SER 55 44.923 -9.760 45.049 1.00 1.00 ATOM 98 CA ILE 56 42.147 -8.593 42.767 1.00 1.00 ATOM 99 CA VAL 57 44.438 -9.347 39.784 1.00 1.00 ATOM 100 CA ALA 58 45.254 -12.812 41.124 1.00 1.00 ATOM 101 CA LEU 59 41.531 -13.481 41.564 1.00 1.00 ATOM 102 CA ASN 60 40.769 -12.351 37.973 1.00 1.00 ATOM 103 CA LEU 61 43.611 -14.450 36.465 1.00 1.00 ATOM 104 CA SER 62 42.164 -17.486 38.218 1.00 1.00 ATOM 105 CA PHE 63 38.730 -16.785 36.765 1.00 1.00 ATOM 106 CA GLU 64 40.111 -16.317 33.231 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:09:41 2002 Date: Wed, 26 Jun 2002 12:09:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0131 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:43:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_544078_10995 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0131TS007_5 Current information on models submitted in prediction T0131TS007 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_5 PIN_544078_10995 6269-7633-6117 06/26/02 11:43:01 casp5@bialko.llnl.gov T0131TS007_4 PIN_538677_10994 6269-7633-6117 06/26/02 11:42:47 casp5@bialko.llnl.gov T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0131 MODEL_INDEX PIN CODE DATE E-mail T0131TS007_1 PIN_534474_10991 6269-7633-6117 06/26/02 11:42:05 casp5@bialko.llnl.gov T0131TS007_2 PIN_529073_10990 6269-7633-6117 06/26/02 11:41:51 casp5@bialko.llnl.gov T0131TS007_3 PIN_537276_10993 6269-7633-6117 06/26/02 11:42:33 casp5@bialko.llnl.gov T0131TS007_4 PIN_538677_10994 6269-7633-6117 06/26/02 11:42:47 casp5@bialko.llnl.gov T0131TS007_5 PIN_544078_10995 6269-7633-6117 06/26/02 11:43:01 casp5@bialko.llnl.gov T0131SS007_1 PIN_160459_10771 6269-7633-6117 06/15/02 15:04:59 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1AFR_E # Loading PARENT structure: 1afr (chain: E) # Number of residues in PARENT structure: 345 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue N 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue M 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0131 # Total number of residues in target: 100 # Total number of residues in model: 36 # Total number of atoms in model: 36 # Number of atoms with 1.0 occupancy: 36 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 36 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0131 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1AFR_E ATOM 71 CA GLN 29 45.023 2.740 30.338 1.00 1.00 ATOM 72 CA ALA 30 48.273 3.514 32.122 1.00 1.00 ATOM 73 CA ALA 31 49.215 6.222 29.637 1.00 1.00 ATOM 74 CA ARG 32 48.553 9.952 29.515 1.00 1.00 ATOM 75 CA ASN 33 47.234 9.399 26.020 1.00 1.00 ATOM 76 CA LEU 34 44.474 6.990 27.094 1.00 1.00 ATOM 77 CA ASP 35 41.619 9.480 26.606 1.00 1.00 ATOM 78 CA ILE 36 42.657 10.697 23.175 1.00 1.00 ATOM 79 CA LEU 37 43.394 7.091 22.140 1.00 1.00 ATOM 80 CA VAL 38 39.894 5.968 23.192 1.00 1.00 ATOM 81 CA SER 39 38.381 9.068 21.585 1.00 1.00 ATOM 82 CA GLU 40 40.063 8.328 18.247 1.00 1.00 ATOM 83 CA MET 41 39.099 4.656 18.339 1.00 1.00 ATOM 84 CA LYS 42 35.509 5.856 18.765 1.00 1.00 ATOM 85 CA GLU 43 35.670 8.427 15.971 1.00 1.00 ATOM 86 CA LYS 44 36.970 5.903 13.460 1.00 1.00 ATOM 87 CA THR 45 34.234 3.451 14.562 1.00 1.00 ATOM 88 CA GLY 46 31.539 5.870 13.437 1.00 1.00 ATOM 89 CA LEU 47 32.907 5.569 9.915 1.00 1.00 ATOM 90 CA ILE 48 32.428 1.797 9.992 1.00 1.00 ATOM 91 CA GLN 49 28.909 0.580 8.977 1.00 1.00 ATOM 92 CA LEU 50 26.535 -1.599 11.019 1.00 1.00 ATOM 93 CA ASP 51 26.889 -4.264 8.310 1.00 1.00 ATOM 94 CA ARG 52 30.534 -4.703 9.211 1.00 1.00 ATOM 95 CA VAL 53 29.820 -4.629 12.970 1.00 1.00 ATOM 96 CA LEU 54 27.304 -7.447 12.746 1.00 1.00 ATOM 97 CA SER 55 29.944 -9.661 11.134 1.00 1.00 ATOM 98 CA ILE 56 32.704 -8.533 13.465 1.00 1.00 ATOM 99 CA VAL 57 30.434 -9.299 16.463 1.00 1.00 ATOM 100 CA ALA 58 29.638 -12.736 15.032 1.00 1.00 ATOM 101 CA LEU 59 33.349 -13.397 14.731 1.00 1.00 ATOM 102 CA ASN 60 33.991 -12.246 18.320 1.00 1.00 ATOM 103 CA LEU 61 31.140 -14.339 19.761 1.00 1.00 ATOM 104 CA SER 62 32.563 -17.444 18.078 1.00 1.00 ATOM 105 CA PHE 63 36.004 -16.735 19.565 1.00 1.00 ATOM 106 CA GLU 64 34.551 -16.208 23.032 1.00 1.00 TER END ################################ # # # END # # # ################################