From mailer@bialko.llnl.gov Mon Jun 24 08:42:07 2002 Date: Mon, 24 Jun 2002 08:42:02 -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 Mon Jun 24 08:15:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_266894_10864 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138SS007_1 Current information on models submitted in prediction T0138SS007 MODEL_INDEX PIN CODE DATE E-mail T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 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: 135 # Number of residues with nonzero confidence: 135 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0138 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-316.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-25144//target-align-25144.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 3.4822 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-316.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc53.31571/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: Tue Jun 18 11:24:32 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-25144//target-align-25144.a2m METHOD METHOD guide seq name: seed-seqs-316.a2m(1), 135 bases, 466E0C76 checksum. METHOD ###end 0 MODEL 1 M C 0.704 L C 0.616 S C 0.564 Q C 0.432 I E 0.458 A E 0.546 I E 0.59 C E 0.586 I E 0.614 W E 0.568 V E 0.485 E C 0.522 S C 0.536 T H 0.553 A H 0.609 I H 0.618 L H 0.645 Q H 0.691 D H 0.691 C H 0.692 Q H 0.686 R H 0.675 A H 0.636 L H 0.565 S H 0.44 A C 0.602 D C 0.635 R H 0.549 Y H 0.546 Q H 0.522 L H 0.436 Q H 0.402 V H 0.398 C H 0.387 E C 0.446 S C 0.509 G H 0.629 E H 0.689 M H 0.708 L H 0.722 L H 0.723 E H 0.727 Y H 0.716 A H 0.702 Q H 0.662 T H 0.623 H C 0.487 R H 0.475 D H 0.462 Q H 0.425 I H 0.337 D E 0.409 C E 0.572 L E 0.624 I E 0.639 L E 0.633 V E 0.571 A E 0.4 A C 0.541 N C 0.657 P C 0.594 S C 0.567 F H 0.512 R H 0.622 A H 0.71 V H 0.668 V H 0.682 Q H 0.689 Q H 0.69 L H 0.671 C H 0.646 F H 0.6 E H 0.465 G C 0.584 V C 0.443 V E 0.575 V E 0.575 P E 0.573 A E 0.705 I E 0.764 V E 0.763 V E 0.684 G C 0.486 D C 0.696 R C 0.752 D C 0.713 S C 0.7 E C 0.713 D C 0.769 P C 0.758 D C 0.765 E C 0.748 P C 0.756 A C 0.693 K C 0.583 E C 0.586 Q C 0.469 L E 0.462 Y E 0.501 H E 0.487 S E 0.498 A E 0.508 E E 0.535 L E 0.568 H E 0.536 L E 0.415 G C 0.603 I H 0.575 H H 0.644 Q H 0.685 L H 0.689 E H 0.691 Q H 0.699 L H 0.578 P H 0.631 Y H 0.725 Q H 0.733 V H 0.751 D H 0.772 A H 0.806 A H 0.79 L H 0.772 A H 0.746 E H 0.722 F H 0.679 L H 0.654 R H 0.592 L H 0.487 A C 0.682 P C 0.632 V C 0.482 E C 0.472 T C 0.49 M C 0.58 A C 0.707 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:44:08 2002 Date: Thu, 11 Jul 2002 08:44:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:17:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_287408_11885 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS007_1 Current information on models submitted in prediction T0138TS007 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 casp5@bialko.llnl.gov T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1BRO_A # Loading PARENT structure: 1bro (chain: A) # Number of residues in PARENT structure: 277 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 65 # Total number of atoms in model: 65 # Number of atoms with 1.0 occupancy: 65 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 65 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1BRO_A ATOM 101 CA GLY 37 10.143 46.305 37.209 1.00 1.00 ATOM 102 CA GLU 38 10.133 45.283 40.944 1.00 1.00 ATOM 103 CA MET 39 13.590 46.924 41.331 1.00 1.00 ATOM 104 CA LEU 40 12.420 50.189 39.607 1.00 1.00 ATOM 105 CA LEU 41 9.337 50.559 42.005 1.00 1.00 ATOM 106 CA GLU 42 11.129 49.540 45.122 1.00 1.00 ATOM 107 CA TYR 43 14.239 51.790 44.516 1.00 1.00 ATOM 108 CA ALA 44 12.155 54.896 43.606 1.00 1.00 ATOM 109 CA GLN 45 9.879 54.264 46.566 1.00 1.00 ATOM 110 CA THR 46 12.658 53.784 49.190 1.00 1.00 ATOM 111 CA HIS 47 15.545 55.860 47.893 1.00 1.00 ATOM 113 CA ARG 48 14.341 60.106 42.606 1.00 1.00 ATOM 114 CA ASP 49 17.371 62.475 43.120 1.00 1.00 ATOM 115 CA GLN 50 19.536 60.563 40.514 1.00 1.00 ATOM 116 CA ILE 51 16.531 59.636 38.357 1.00 1.00 ATOM 117 CA ASP 52 15.074 61.413 35.338 1.00 1.00 ATOM 118 CA CYS 53 12.420 58.800 34.176 1.00 1.00 ATOM 119 CA LEU 54 11.324 55.172 34.605 1.00 1.00 ATOM 120 CA ILE 55 9.888 52.581 32.255 1.00 1.00 ATOM 121 CA LEU 56 8.123 49.374 33.133 1.00 1.00 ATOM 122 CA VAL 57 8.028 46.593 30.474 1.00 1.00 ATOM 123 CA ALA 58 6.063 43.366 31.105 1.00 1.00 ATOM 124 CA ALA 59 5.568 44.562 34.773 1.00 1.00 ATOM 125 CA ASN 60 4.826 42.575 37.970 1.00 1.00 ATOM 126 CA PRO 61 2.912 45.600 39.379 1.00 1.00 ATOM 127 CA SER 62 0.900 46.141 41.343 1.00 1.00 ATOM 128 CA PHE 63 0.560 42.873 43.288 1.00 1.00 ATOM 129 CA ARG 64 0.322 39.462 41.557 1.00 1.00 ATOM 130 CA ALA 65 -0.958 37.603 44.659 1.00 1.00 ATOM 131 CA VAL 66 -4.695 36.973 44.447 1.00 1.00 ATOM 132 CA VAL 67 -6.186 37.671 47.824 1.00 1.00 ATOM 133 CA GLN 68 -9.344 38.994 49.325 1.00 1.00 ATOM 134 CA GLN 69 -7.840 42.440 49.476 1.00 1.00 ATOM 135 CA LEU 70 -6.210 41.821 46.113 1.00 1.00 ATOM 136 CA CYS 71 -8.966 40.551 43.870 1.00 1.00 ATOM 137 CA PHE 72 -7.131 41.469 40.603 1.00 1.00 ATOM 138 CA GLU 73 -4.175 39.359 41.627 1.00 1.00 ATOM 139 CA GLY 74 -3.209 36.955 38.917 1.00 1.00 ATOM 140 CA VAL 75 -2.949 33.675 41.017 1.00 1.00 ATOM 141 CA VAL 76 -3.405 32.111 44.440 1.00 1.00 ATOM 142 CA VAL 77 -0.363 31.468 46.561 1.00 1.00 ATOM 143 CA PRO 78 -0.590 27.758 45.804 1.00 1.00 ATOM 144 CA ALA 79 0.261 28.562 42.227 1.00 1.00 ATOM 145 CA ILE 80 3.658 30.193 43.114 1.00 1.00 ATOM 146 CA VAL 81 4.427 27.419 45.516 1.00 1.00 ATOM 147 CA VAL 82 3.947 25.313 42.395 1.00 1.00 ATOM 148 CA GLY 83 6.727 26.932 40.343 1.00 1.00 ATOM 149 CA ASP 84 9.116 26.739 43.238 1.00 1.00 ATOM 150 CA ARG 85 8.480 23.010 43.429 1.00 1.00 ATOM 151 CA ASP 86 8.954 22.661 39.692 1.00 1.00 ATOM 152 CA SER 87 12.264 24.514 39.599 1.00 1.00 ATOM 153 CA GLU 88 13.615 22.393 42.514 1.00 1.00 ATOM 154 CA ASP 89 12.595 19.207 40.744 1.00 1.00 ATOM 155 CA PRO 90 14.706 19.890 37.504 1.00 1.00 ATOM 156 CA ASP 91 15.264 23.575 36.666 1.00 1.00 ATOM 157 CA GLU 92 16.883 22.396 33.299 1.00 1.00 ATOM 158 CA PRO 93 13.720 20.764 32.045 1.00 1.00 ATOM 159 CA ALA 94 11.748 23.607 33.731 1.00 1.00 ATOM 160 CA LYS 95 13.470 26.268 31.613 1.00 1.00 ATOM 161 CA GLU 96 12.211 24.502 28.536 1.00 1.00 ATOM 162 CA GLN 97 8.420 24.834 29.318 1.00 1.00 ATOM 163 CA LEU 98 9.098 28.305 30.686 1.00 1.00 ATOM 164 CA TYR 99 10.548 29.597 27.404 1.00 1.00 ATOM 165 CA HIS 100 7.667 28.179 25.451 1.00 1.00 ATOM 166 CA SER 101 5.226 30.468 27.256 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:44:18 2002 Date: Thu, 11 Jul 2002 08:44:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:17:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_286261_11886 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS007_4 Current information on models submitted in prediction T0138TS007 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1A8Q # Loading PARENT structure: 1a8q (chain: ) # Number of residues in PARENT structure: 274 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 27 # Total number of atoms in model: 27 # Number of atoms with 1.0 occupancy: 27 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 27 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1A8Q ATOM 97 CA GLY 37 41.490 -2.789 -1.687 1.00 1.00 ATOM 98 CA GLU 38 38.062 -3.479 -3.249 1.00 1.00 ATOM 99 CA MET 39 38.919 -1.177 -6.198 1.00 1.00 ATOM 100 CA LEU 40 42.200 -3.104 -6.613 1.00 1.00 ATOM 101 CA LEU 41 40.481 -6.498 -6.362 1.00 1.00 ATOM 102 CA GLU 42 37.675 -5.616 -8.771 1.00 1.00 ATOM 103 CA TYR 43 40.205 -4.140 -11.243 1.00 1.00 ATOM 104 CA ALA 44 41.964 -7.539 -11.310 1.00 1.00 ATOM 105 CA GLN 45 38.610 -9.318 -11.647 1.00 1.00 ATOM 106 CA THR 46 37.379 -7.140 -14.523 1.00 1.00 ATOM 107 CA HIS 47 40.517 -6.112 -16.413 1.00 1.00 ATOM 109 CA ARG 48 46.755 -8.441 -14.550 1.00 1.00 ATOM 110 CA ASP 49 48.373 -7.691 -17.921 1.00 1.00 ATOM 111 CA GLN 50 49.570 -4.232 -16.851 1.00 1.00 ATOM 112 CA ILE 51 50.542 -5.303 -13.354 1.00 1.00 ATOM 113 CA ASP 52 53.678 -6.511 -11.652 1.00 1.00 ATOM 114 CA CYS 53 52.487 -6.837 -8.057 1.00 1.00 ATOM 115 CA LEU 54 49.942 -5.607 -5.482 1.00 1.00 ATOM 116 CA ILE 55 49.839 -4.456 -1.882 1.00 1.00 ATOM 117 CA LEU 56 46.692 -4.591 0.280 1.00 1.00 ATOM 118 CA VAL 57 47.066 -2.382 3.355 1.00 1.00 ATOM 119 CA ALA 58 44.343 -2.759 6.012 1.00 1.00 ATOM 120 CA ALA 59 42.000 -3.685 3.187 1.00 1.00 ATOM 121 CA ASN 60 38.420 -4.895 3.056 1.00 1.00 ATOM 122 CA PRO 61 38.696 -8.163 1.021 1.00 1.00 ATOM 123 CA SER 62 37.351 -10.645 1.134 1.00 1.00 ATOM 124 CA PHE 63 34.091 -9.438 2.692 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:45:08 2002 Date: Thu, 11 Jul 2002 08:45:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:17:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_294725_11888 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS007_3 Current information on models submitted in prediction T0138TS007 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 casp5@bialko.llnl.gov T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1BRT # Loading PARENT structure: 1brt (chain: ) # Number of residues in PARENT structure: 277 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 113 # Total number of atoms in model: 113 # Number of atoms with 1.0 occupancy: 113 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 113 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1BRT ATOM 46 CA MET 1 114.715 41.541 86.196 1.00 1.00 ATOM 47 CA LEU 2 112.266 43.900 87.934 1.00 1.00 ATOM 48 CA SER 3 115.088 45.531 89.909 1.00 1.00 ATOM 49 CA GLN 4 117.067 45.943 86.656 1.00 1.00 ATOM 50 CA ILE 5 114.268 47.823 84.910 1.00 1.00 ATOM 51 CA ALA 6 112.428 45.299 82.744 1.00 1.00 ATOM 52 CA ILE 7 108.704 44.499 82.402 1.00 1.00 ATOM 53 CA CYS 8 108.249 40.824 83.273 1.00 1.00 ATOM 54 CA ILE 9 105.449 38.709 81.866 1.00 1.00 ATOM 55 CA TRP 10 104.982 35.142 83.091 1.00 1.00 ATOM 56 CA VAL 11 102.155 32.722 82.193 1.00 1.00 ATOM 57 CA GLU 12 101.197 29.163 83.073 1.00 1.00 ATOM 58 CA SER 13 101.200 26.885 80.062 1.00 1.00 ATOM 59 CA THR 14 98.016 24.973 79.272 1.00 1.00 ATOM 75 CA ALA 15 99.573 24.473 69.829 1.00 1.00 ATOM 76 CA ILE 16 101.915 25.618 72.614 1.00 1.00 ATOM 77 CA LEU 17 103.412 28.062 70.067 1.00 1.00 ATOM 78 CA GLN 18 99.920 29.236 69.087 1.00 1.00 ATOM 79 CA ASP 19 99.166 29.870 72.760 1.00 1.00 ATOM 80 CA CYS 20 102.349 31.976 72.998 1.00 1.00 ATOM 81 CA GLN 21 101.393 33.870 69.799 1.00 1.00 ATOM 82 CA ARG 22 97.983 34.692 71.404 1.00 1.00 ATOM 83 CA ALA 23 99.687 36.000 74.505 1.00 1.00 ATOM 84 CA LEU 24 102.011 38.255 72.491 1.00 1.00 ATOM 85 CA SER 25 99.260 39.492 70.146 1.00 1.00 ATOM 86 CA ALA 26 96.768 40.127 72.983 1.00 1.00 ATOM 87 CA ASP 27 99.290 42.189 74.943 1.00 1.00 ATOM 88 CA ARG 28 100.599 43.756 71.725 1.00 1.00 ATOM 100 CA SER 36 109.114 25.442 77.544 1.00 1.00 ATOM 101 CA GLY 37 112.065 25.983 75.207 1.00 1.00 ATOM 102 CA GLU 38 110.215 23.913 72.583 1.00 1.00 ATOM 103 CA MET 39 107.577 26.613 71.899 1.00 1.00 ATOM 104 CA LEU 40 110.214 29.361 71.745 1.00 1.00 ATOM 105 CA LEU 41 111.825 27.643 68.725 1.00 1.00 ATOM 106 CA GLU 42 108.481 26.651 67.167 1.00 1.00 ATOM 107 CA TYR 43 107.066 30.181 67.553 1.00 1.00 ATOM 108 CA ALA 44 110.062 31.748 65.841 1.00 1.00 ATOM 109 CA GLN 45 109.871 29.260 62.990 1.00 1.00 ATOM 111 CA THR 46 105.381 33.138 63.235 1.00 1.00 ATOM 112 CA HIS 47 108.684 34.908 62.664 1.00 1.00 ATOM 113 CA ARG 48 110.466 37.545 64.706 1.00 1.00 ATOM 114 CA ASP 49 108.702 40.859 64.000 1.00 1.00 ATOM 115 CA GLN 50 107.768 41.225 67.662 1.00 1.00 ATOM 116 CA ILE 51 111.014 39.738 68.999 1.00 1.00 ATOM 117 CA ASP 52 114.308 41.371 69.994 1.00 1.00 ATOM 118 CA CYS 53 116.142 38.342 71.416 1.00 1.00 ATOM 119 CA LEU 54 115.577 34.733 72.549 1.00 1.00 ATOM 120 CA ILE 55 117.102 32.665 75.335 1.00 1.00 ATOM 121 CA LEU 56 117.151 28.904 75.905 1.00 1.00 ATOM 122 CA VAL 57 117.832 27.718 79.460 1.00 1.00 ATOM 123 CA ALA 58 118.180 23.983 80.185 1.00 1.00 ATOM 124 CA ALA 59 116.701 23.368 76.735 1.00 1.00 ATOM 125 CA ASN 60 115.527 20.328 74.865 1.00 1.00 ATOM 126 CA PRO 61 116.754 21.253 71.349 1.00 1.00 ATOM 127 CA SER 62 117.615 20.086 68.898 1.00 1.00 ATOM 128 CA PHE 63 115.975 16.611 68.992 1.00 1.00 ATOM 129 CA ARG 64 116.039 14.387 72.027 1.00 1.00 ATOM 130 CA ALA 65 115.076 11.099 70.340 1.00 1.00 ATOM 207 CA VAL 66 109.588 16.592 68.728 1.00 1.00 ATOM 208 CA VAL 67 112.307 17.366 66.152 1.00 1.00 ATOM 209 CA GLN 68 113.336 20.992 66.153 1.00 1.00 ATOM 210 CA GLN 69 116.242 20.679 63.736 1.00 1.00 ATOM 211 CA LEU 70 114.419 22.538 60.960 1.00 1.00 ATOM 212 CA CYS 71 113.294 25.276 63.301 1.00 1.00 ATOM 213 CA PHE 72 116.740 26.262 64.620 1.00 1.00 ATOM 214 CA GLU 73 118.087 27.798 61.351 1.00 1.00 ATOM 215 CA GLY 74 115.067 30.148 61.325 1.00 1.00 ATOM 216 CA VAL 75 116.305 31.933 64.479 1.00 1.00 ATOM 217 CA VAL 76 117.490 35.292 63.137 1.00 1.00 ATOM 218 CA VAL 77 117.779 37.332 66.318 1.00 1.00 ATOM 219 CA PRO 78 120.419 37.219 69.064 1.00 1.00 ATOM 220 CA ALA 79 120.232 34.118 71.207 1.00 1.00 ATOM 221 CA ILE 80 121.594 32.733 74.496 1.00 1.00 ATOM 222 CA VAL 81 122.002 29.006 75.216 1.00 1.00 ATOM 223 CA VAL 82 122.642 28.193 78.933 1.00 1.00 ATOM 224 CA GLY 83 122.770 24.746 80.548 1.00 1.00 ATOM 225 CA ASP 84 123.997 22.980 83.701 1.00 1.00 ATOM 226 CA ARG 85 126.578 20.244 83.248 1.00 1.00 ATOM 227 CA ASP 86 125.040 18.135 86.068 1.00 1.00 ATOM 228 CA SER 87 121.583 18.052 84.365 1.00 1.00 ATOM 229 CA GLU 88 120.121 14.565 84.784 1.00 1.00 ATOM 235 CA ASP 89 122.532 15.570 73.899 1.00 1.00 ATOM 236 CA PRO 90 121.066 19.051 74.095 1.00 1.00 ATOM 237 CA ASP 91 123.101 22.284 74.589 1.00 1.00 ATOM 238 CA GLU 92 126.373 20.971 73.233 1.00 1.00 ATOM 239 CA PRO 93 124.668 19.870 70.014 1.00 1.00 ATOM 240 CA ALA 94 122.530 23.039 69.853 1.00 1.00 ATOM 241 CA LYS 95 125.719 25.182 70.190 1.00 1.00 ATOM 242 CA GLU 96 126.982 23.575 66.935 1.00 1.00 ATOM 243 CA GLN 97 123.685 24.220 65.175 1.00 1.00 ATOM 244 CA LEU 98 123.461 27.833 66.306 1.00 1.00 ATOM 255 CA GLY 107 124.317 22.645 87.982 1.00 1.00 ATOM 256 CA ILE 108 121.202 20.466 87.687 1.00 1.00 ATOM 257 CA HIS 109 118.111 20.894 85.522 1.00 1.00 ATOM 258 CA GLN 110 116.404 23.027 88.204 1.00 1.00 ATOM 260 CA LEU 111 116.843 28.706 88.095 1.00 1.00 ATOM 261 CA GLU 112 116.646 28.044 91.878 1.00 1.00 ATOM 262 CA GLN 113 119.851 26.276 92.787 1.00 1.00 ATOM 263 CA LEU 114 122.183 28.482 90.718 1.00 1.00 ATOM 264 CA PRO 115 120.074 31.639 90.501 1.00 1.00 ATOM 265 CA TYR 116 123.057 34.006 90.796 1.00 1.00 ATOM 266 CA GLN 117 124.879 32.477 87.852 1.00 1.00 ATOM 267 CA VAL 118 121.688 32.397 85.729 1.00 1.00 ATOM 268 CA ASP 119 120.820 35.986 86.608 1.00 1.00 ATOM 269 CA ALA 120 124.302 37.263 85.781 1.00 1.00 ATOM 270 CA ALA 121 124.238 35.582 82.371 1.00 1.00 ATOM 271 CA LEU 122 120.699 36.769 81.599 1.00 1.00 ATOM 272 CA ALA 123 121.410 40.389 82.586 1.00 1.00 ATOM 273 CA GLU 124 124.596 40.459 80.461 1.00 1.00 ATOM 274 CA PHE 125 122.717 39.073 77.483 1.00 1.00 ATOM 275 CA LEU 126 119.806 41.487 77.872 1.00 1.00 ATOM 276 CA ARG 127 122.045 44.534 78.004 1.00 1.00 ATOM 277 CA LEU 128 123.916 43.614 74.798 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:45:18 2002 Date: Thu, 11 Jul 2002 08:45:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:18:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_299121_11889 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS007_2 Current information on models submitted in prediction T0138TS007 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_2 PIN_299121_11889 6269-7633-6117 07/11/02 08:18:01 casp5@bialko.llnl.gov T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 casp5@bialko.llnl.gov T0138TS007_2 PIN_299121_11889 6269-7633-6117 07/11/02 08:18:01 casp5@bialko.llnl.gov T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1A8S # Loading PARENT structure: 1a8s (chain: ) # Number of residues in PARENT structure: 273 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue V 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue M 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1A8S ATOM 97 CA GLY 37 16.341 77.197 54.272 1.00 1.00 ATOM 98 CA GLU 38 18.351 79.601 52.010 1.00 1.00 ATOM 99 CA MET 39 21.133 77.011 51.935 1.00 1.00 ATOM 100 CA LEU 40 18.748 74.241 50.814 1.00 1.00 ATOM 101 CA LEU 41 17.214 76.521 48.177 1.00 1.00 ATOM 102 CA GLU 42 20.601 77.514 46.749 1.00 1.00 ATOM 103 CA TYR 43 21.762 73.892 46.796 1.00 1.00 ATOM 104 CA ALA 44 18.771 72.940 44.651 1.00 1.00 ATOM 105 CA GLN 45 19.130 75.958 42.369 1.00 1.00 ATOM 106 CA THR 46 22.831 75.139 41.741 1.00 1.00 ATOM 107 CA HIS 47 22.703 71.340 41.752 1.00 1.00 ATOM 108 CA ARG 48 19.141 70.240 41.006 1.00 1.00 ATOM 110 CA ASP 49 18.522 64.230 41.385 1.00 1.00 ATOM 111 CA GLN 50 19.350 63.265 45.012 1.00 1.00 ATOM 112 CA ILE 51 16.379 64.960 46.627 1.00 1.00 ATOM 113 CA ASP 52 12.972 63.385 47.220 1.00 1.00 ATOM 114 CA CYS 53 11.531 66.397 49.110 1.00 1.00 ATOM 115 CA LEU 54 12.465 69.749 50.740 1.00 1.00 ATOM 116 CA ILE 55 11.250 71.880 53.615 1.00 1.00 ATOM 117 CA LEU 56 11.703 75.521 54.412 1.00 1.00 ATOM 118 CA VAL 57 11.144 76.140 58.120 1.00 1.00 ATOM 119 CA ALA 58 11.003 79.782 59.323 1.00 1.00 ATOM 120 CA ALA 59 13.197 80.276 56.252 1.00 1.00 ATOM 121 CA ASN 60 14.827 83.274 54.584 1.00 1.00 ATOM 122 CA PRO 61 13.678 82.813 50.942 1.00 1.00 ATOM 123 CA SER 62 12.752 84.437 48.819 1.00 1.00 ATOM 124 CA PHE 63 14.479 87.657 49.860 1.00 1.00 ATOM 125 CA ARG 64 14.584 89.509 53.187 1.00 1.00 ATOM 126 CA ALA 65 15.958 92.829 52.037 1.00 1.00 ATOM 127 CA VAL 66 13.672 95.718 51.083 1.00 1.00 ATOM 128 CA VAL 67 14.255 96.572 47.406 1.00 1.00 ATOM 129 CA GLN 69 12.231 98.054 44.516 1.00 1.00 ATOM 130 CA LEU 70 11.214 94.523 43.524 1.00 1.00 ATOM 131 CA CYS 71 10.632 93.479 47.166 1.00 1.00 ATOM 132 CA PHE 72 9.015 96.524 48.805 1.00 1.00 ATOM 133 CA GLU 73 7.657 94.582 51.773 1.00 1.00 ATOM 134 CA GLY 74 11.188 93.429 52.860 1.00 1.00 ATOM 135 CA VAL 75 13.238 94.817 55.774 1.00 1.00 ATOM 136 CA VAL 76 15.380 97.924 55.276 1.00 1.00 ATOM 137 CA VAL 77 19.134 97.579 55.042 1.00 1.00 ATOM 138 CA PRO 78 19.467 99.543 58.296 1.00 1.00 ATOM 139 CA ALA 79 18.124 96.467 60.143 1.00 1.00 ATOM 140 CA ILE 80 20.961 94.268 58.873 1.00 1.00 ATOM 141 CA VAL 81 23.489 97.043 59.396 1.00 1.00 ATOM 142 CA VAL 82 22.317 97.126 63.004 1.00 1.00 ATOM 143 CA GLY 83 23.036 93.396 63.362 1.00 1.00 ATOM 144 CA ASP 84 26.520 93.740 61.841 1.00 1.00 ATOM 145 CA ARG 85 27.239 96.724 64.111 1.00 1.00 ATOM 146 CA ASP 86 26.144 94.838 67.249 1.00 1.00 ATOM 147 CA SER 87 28.145 91.773 66.030 1.00 1.00 ATOM 148 CA GLU 88 31.276 93.896 65.940 1.00 1.00 ATOM 149 CA ASP 89 30.600 95.722 69.243 1.00 1.00 ATOM 150 CA PRO 90 29.615 92.733 71.407 1.00 1.00 ATOM 151 CA ASP 91 28.354 89.611 69.609 1.00 1.00 ATOM 152 CA GLU 92 28.102 87.626 72.882 1.00 1.00 ATOM 153 CA PRO 93 25.621 90.243 74.128 1.00 1.00 ATOM 154 CA ALA 94 23.824 90.419 70.752 1.00 1.00 ATOM 155 CA LYS 95 23.159 86.666 70.943 1.00 1.00 ATOM 156 CA GLU 96 21.826 87.022 74.483 1.00 1.00 ATOM 157 CA GLN 97 19.610 89.946 73.338 1.00 1.00 ATOM 158 CA LEU 98 18.267 88.142 70.233 1.00 1.00 ATOM 159 CA TYR 99 17.364 85.008 72.205 1.00 1.00 ATOM 160 CA HIS 100 15.999 86.992 75.104 1.00 1.00 ATOM 161 CA SER 101 13.764 89.182 72.957 1.00 1.00 ATOM 162 CA ALA 102 12.666 88.490 69.354 1.00 1.00 ATOM 163 CA GLU 103 13.961 85.012 68.508 1.00 1.00 ATOM 164 CA LEU 104 11.607 82.979 70.712 1.00 1.00 ATOM 165 CA HIS 105 8.975 85.681 71.235 1.00 1.00 ATOM 166 CA LEU 106 9.930 86.088 74.924 1.00 1.00 ATOM 167 CA GLY 107 9.441 89.857 74.439 1.00 1.00 ATOM 168 CA ILE 108 5.689 89.375 73.655 1.00 1.00 ATOM 169 CA HIS 109 3.115 90.603 76.148 1.00 1.00 ATOM 170 CA GLN 110 2.700 88.029 78.899 1.00 1.00 ATOM 171 CA LEU 111 5.837 86.120 77.943 1.00 1.00 ATOM 172 CA GLU 112 9.094 85.720 79.851 1.00 1.00 ATOM 173 CA GLN 113 12.496 84.343 78.909 1.00 1.00 ATOM 174 CA LEU 114 13.833 81.027 80.082 1.00 1.00 ATOM 175 CA PRO 115 17.550 80.653 80.606 1.00 1.00 ATOM 176 CA TYR 116 18.052 77.245 79.050 1.00 1.00 ATOM 177 CA GLN 117 16.789 78.539 75.666 1.00 1.00 ATOM 178 CA VAL 118 18.707 81.853 75.909 1.00 1.00 ATOM 179 CA ASP 119 22.025 80.276 76.884 1.00 1.00 ATOM 180 CA ALA 120 21.903 77.387 74.408 1.00 1.00 ATOM 181 CA ALA 121 21.329 79.888 71.566 1.00 1.00 ATOM 182 CA LEU 122 24.223 82.030 72.931 1.00 1.00 ATOM 183 CA ALA 123 26.486 78.994 73.357 1.00 1.00 ATOM 184 CA GLU 124 26.141 77.791 69.783 1.00 1.00 ATOM 185 CA PHE 125 26.607 81.372 68.589 1.00 1.00 ATOM 186 CA LEU 126 29.983 81.618 70.426 1.00 1.00 ATOM 187 CA ARG 127 31.288 78.454 68.722 1.00 1.00 ATOM 188 CA LEU 128 30.883 80.078 65.301 1.00 1.00 ATOM 189 CA ALA 129 33.790 82.127 63.880 1.00 1.00 ATOM 190 CA PRO 130 33.303 85.911 64.213 1.00 1.00 ATOM 191 CA VAL 131 34.164 86.499 60.543 1.00 1.00 ATOM 192 CA GLU 132 31.901 83.631 59.427 1.00 1.00 ATOM 193 CA THR 133 28.880 84.761 61.487 1.00 1.00 ATOM 194 CA MET 134 29.424 88.399 60.421 1.00 1.00 ATOM 195 CA ALA 135 29.645 87.702 56.703 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:45:29 2002 Date: Thu, 11 Jul 2002 08:45:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:18:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_302132_11890 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS007_5 Current information on models submitted in prediction T0138TS007 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_5 PIN_302132_11890 6269-7633-6117 07/11/02 08:18:15 casp5@bialko.llnl.gov T0138TS007_2 PIN_299121_11889 6269-7633-6117 07/11/02 08:18:01 casp5@bialko.llnl.gov T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS007_1 PIN_287408_11885 6269-7633-6117 07/11/02 08:17:06 casp5@bialko.llnl.gov T0138TS007_2 PIN_299121_11889 6269-7633-6117 07/11/02 08:18:01 casp5@bialko.llnl.gov T0138TS007_3 PIN_294725_11888 6269-7633-6117 07/11/02 08:17:47 casp5@bialko.llnl.gov T0138TS007_4 PIN_286261_11886 6269-7633-6117 07/11/02 08:17:20 casp5@bialko.llnl.gov T0138TS007_5 PIN_302132_11890 6269-7633-6117 07/11/02 08:18:15 casp5@bialko.llnl.gov T0138SS007_1 PIN_266894_10864 6269-7633-6117 06/24/02 08:15:18 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 T0138 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1QTR_A # Loading PARENT structure: 1qtr (chain: A) # Number of residues in PARENT structure: 314 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue C 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 122 # Total number of atoms in model: 122 # Number of atoms with 1.0 occupancy: 122 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 122 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1QTR_A ATOM 10 CA MET 1 42.658 9.569 -10.936 1.00 1.00 ATOM 11 CA LEU 2 45.003 6.625 -11.442 1.00 1.00 ATOM 12 CA SER 3 45.674 3.679 -13.760 1.00 1.00 ATOM 13 CA GLN 4 44.702 0.063 -13.177 1.00 1.00 ATOM 47 CA ILE 5 22.014 -4.891 -11.568 1.00 1.00 ATOM 48 CA ALA 6 23.453 -4.232 -15.006 1.00 1.00 ATOM 49 CA ILE 7 25.349 -1.031 -14.275 1.00 1.00 ATOM 50 CA CYS 8 29.107 -1.339 -14.738 1.00 1.00 ATOM 51 CA ILE 9 32.356 -0.275 -13.124 1.00 1.00 ATOM 52 CA TRP 10 33.788 3.178 -13.737 1.00 1.00 ATOM 53 CA VAL 11 37.280 4.705 -13.568 1.00 1.00 ATOM 54 CA GLU 12 35.946 6.656 -10.594 1.00 1.00 ATOM 55 CA SER 13 35.428 3.514 -8.584 1.00 1.00 ATOM 56 CA THR 14 39.254 3.300 -8.282 1.00 1.00 ATOM 57 CA ALA 15 39.646 6.688 -6.620 1.00 1.00 ATOM 58 CA ILE 16 37.497 5.358 -3.756 1.00 1.00 ATOM 59 CA LEU 17 40.298 3.464 -1.980 1.00 1.00 ATOM 60 CA GLN 18 43.746 4.473 -0.753 1.00 1.00 ATOM 61 CA ASP 19 46.301 3.968 -3.623 1.00 1.00 ATOM 85 CA CYS 20 23.207 -17.901 -17.105 1.00 1.00 ATOM 86 CA GLN 21 23.231 -14.503 -15.452 1.00 1.00 ATOM 87 CA ARG 22 21.803 -14.867 -11.883 1.00 1.00 ATOM 88 CA ALA 23 22.758 -13.891 -8.299 1.00 1.00 ATOM 89 CA LEU 24 24.302 -17.263 -7.597 1.00 1.00 ATOM 90 CA SER 25 26.306 -17.379 -10.874 1.00 1.00 ATOM 91 CA ALA 26 27.713 -13.943 -10.003 1.00 1.00 ATOM 92 CA ASP 27 28.643 -15.206 -6.498 1.00 1.00 ATOM 93 CA ARG 28 30.759 -17.828 -8.359 1.00 1.00 ATOM 94 CA TYR 29 32.487 -15.183 -10.445 1.00 1.00 ATOM 95 CA GLN 30 33.555 -13.326 -7.287 1.00 1.00 ATOM 96 CA LEU 31 35.277 -16.495 -6.064 1.00 1.00 ATOM 97 CA GLN 32 37.011 -17.219 -9.424 1.00 1.00 ATOM 98 CA VAL 33 38.304 -13.640 -9.403 1.00 1.00 ATOM 99 CA CYS 34 39.392 -14.233 -5.812 1.00 1.00 ATOM 100 CA GLU 35 41.281 -17.466 -6.453 1.00 1.00 ATOM 101 CA SER 36 42.651 -15.940 -9.661 1.00 1.00 ATOM 116 CA GLY 37 25.114 -4.153 -1.235 1.00 1.00 ATOM 117 CA GLU 38 22.685 -6.905 -2.291 1.00 1.00 ATOM 118 CA MET 39 25.372 -9.038 -3.963 1.00 1.00 ATOM 119 CA LEU 40 27.823 -8.187 -1.139 1.00 1.00 ATOM 120 CA LEU 41 25.393 -9.646 1.364 1.00 1.00 ATOM 121 CA GLU 42 24.513 -12.629 -0.806 1.00 1.00 ATOM 122 CA TYR 43 28.246 -13.371 -1.275 1.00 1.00 ATOM 123 CA ALA 44 29.272 -12.706 2.304 1.00 1.00 ATOM 124 CA GLN 45 26.490 -14.957 3.558 1.00 1.00 ATOM 125 CA THR 46 27.708 -17.940 1.470 1.00 1.00 ATOM 126 CA HIS 47 31.483 -17.356 1.860 1.00 1.00 ATOM 127 CA ARG 48 31.807 -15.804 5.370 1.00 1.00 ATOM 128 CA ASP 49 35.551 -16.568 5.421 1.00 1.00 ATOM 129 CA GLN 50 36.436 -14.503 2.367 1.00 1.00 ATOM 130 CA ILE 51 35.346 -11.078 3.626 1.00 1.00 ATOM 131 CA ASP 52 37.393 -9.167 6.257 1.00 1.00 ATOM 132 CA CYS 53 34.934 -6.207 6.565 1.00 1.00 ATOM 133 CA LEU 54 32.113 -4.806 4.482 1.00 1.00 ATOM 134 CA ILE 55 31.244 -1.271 3.551 1.00 1.00 ATOM 135 CA LEU 56 27.610 -1.153 2.384 1.00 1.00 ATOM 136 CA VAL 57 25.652 1.805 0.928 1.00 1.00 ATOM 137 CA ALA 58 22.008 2.340 -0.095 1.00 1.00 ATOM 138 CA ALA 59 21.036 -1.061 1.299 1.00 1.00 ATOM 139 CA ASN 60 18.978 -3.186 -1.102 1.00 1.00 ATOM 140 CA PRO 61 17.807 -6.613 0.106 1.00 1.00 ATOM 141 CA SER 62 15.365 -7.217 -2.782 1.00 1.00 ATOM 142 CA PHE 63 12.065 -7.677 -0.885 1.00 1.00 ATOM 143 CA ARG 64 8.814 -7.321 -2.719 1.00 1.00 ATOM 247 CA VAL 66 16.470 -14.373 2.811 1.00 1.00 ATOM 248 CA VAL 67 19.044 -11.570 3.033 1.00 1.00 ATOM 249 CA GLN 68 17.785 -10.114 6.362 1.00 1.00 ATOM 250 CA GLN 69 16.856 -13.485 7.777 1.00 1.00 ATOM 251 CA LEU 70 20.456 -14.619 7.180 1.00 1.00 ATOM 252 CA CYS 71 22.500 -11.853 8.797 1.00 1.00 ATOM 253 CA PHE 72 23.631 -13.972 11.816 1.00 1.00 ATOM 254 CA GLU 73 26.117 -15.680 9.431 1.00 1.00 ATOM 255 CA GLY 74 28.101 -12.449 9.033 1.00 1.00 ATOM 256 CA VAL 75 27.187 -10.434 12.164 1.00 1.00 ATOM 257 CA VAL 76 30.734 -11.136 13.319 1.00 1.00 ATOM 258 CA VAL 77 32.125 -9.137 10.327 1.00 1.00 ATOM 259 CA PRO 78 33.099 -5.476 10.727 1.00 1.00 ATOM 260 CA ALA 79 30.780 -3.387 8.632 1.00 1.00 ATOM 261 CA ILE 80 29.753 0.205 8.086 1.00 1.00 ATOM 262 CA VAL 81 26.386 1.170 6.584 1.00 1.00 ATOM 263 CA VAL 82 25.958 4.468 4.725 1.00 1.00 ATOM 264 CA GLY 83 22.540 5.571 3.495 1.00 1.00 ATOM 265 CA ASP 84 20.963 8.824 2.261 1.00 1.00 ATOM 266 CA ARG 85 17.890 10.046 4.105 1.00 1.00 ATOM 267 CA ASP 86 16.239 10.981 0.799 1.00 1.00 ATOM 272 CA SER 87 14.415 3.610 1.238 1.00 1.00 ATOM 273 CA GLU 88 16.175 4.224 4.634 1.00 1.00 ATOM 274 CA ASP 89 13.844 1.516 6.028 1.00 1.00 ATOM 275 CA PRO 90 16.219 -1.068 4.469 1.00 1.00 ATOM 276 CA ASP 91 19.324 0.378 6.115 1.00 1.00 ATOM 277 CA GLU 92 17.490 0.528 9.425 1.00 1.00 ATOM 278 CA PRO 93 16.066 -2.992 9.146 1.00 1.00 ATOM 279 CA ALA 94 19.509 -4.436 8.440 1.00 1.00 ATOM 280 CA LYS 95 21.024 -2.399 11.276 1.00 1.00 ATOM 281 CA GLU 96 18.194 -3.421 13.657 1.00 1.00 ATOM 282 CA GLN 97 19.334 -6.986 12.868 1.00 1.00 ATOM 283 CA LEU 98 23.058 -6.290 12.880 1.00 1.00 ATOM 284 CA TYR 99 23.739 -4.125 15.942 1.00 1.00 ATOM 285 CA HIS 105 27.472 -4.519 15.716 1.00 1.00 ATOM 286 CA LEU 106 27.411 -2.582 12.423 1.00 1.00 ATOM 287 CA GLY 107 27.815 1.187 12.413 1.00 1.00 ATOM 288 CA ILE 108 24.843 2.757 10.611 1.00 1.00 ATOM 289 CA HIS 109 25.274 6.236 9.095 1.00 1.00 ATOM 290 CA GLN 110 22.080 7.790 7.770 1.00 1.00 ATOM 291 CA LEU 111 23.448 10.740 5.876 1.00 1.00 ATOM 292 CA GLU 112 20.987 13.617 6.083 1.00 1.00 ATOM 302 CA GLN 113 27.653 13.422 2.401 1.00 1.00 ATOM 303 CA LEU 114 27.621 9.752 1.422 1.00 1.00 ATOM 304 CA PRO 115 31.005 10.101 -0.297 1.00 1.00 ATOM 305 CA TYR 116 32.485 11.481 2.944 1.00 1.00 ATOM 306 CA GLN 117 31.392 8.595 5.152 1.00 1.00 ATOM 307 CA VAL 118 32.568 6.196 2.469 1.00 1.00 ATOM 308 CA ASP 119 35.979 7.789 2.250 1.00 1.00 ATOM 309 CA ALA 120 36.158 7.785 6.077 1.00 1.00 ATOM 310 CA ALA 121 35.059 4.132 6.408 1.00 1.00 ATOM 311 CA LEU 122 37.667 3.088 3.778 1.00 1.00 ATOM 312 CA ALA 123 40.597 5.008 5.332 1.00 1.00 ATOM 313 CA GLU 124 39.709 3.601 8.751 1.00 1.00 ATOM 314 CA PHE 125 39.239 0.002 7.640 1.00 1.00 ATOM 315 CA LEU 126 42.705 0.080 6.045 1.00 1.00 ATOM 316 CA ARG 127 44.782 2.322 8.316 1.00 1.00 ATOM 317 CA LEU 128 43.266 0.988 11.549 1.00 1.00 TER END ################################ # # # END # # # ################################