From mailer@bialko.llnl.gov Tue Jul 16 08:28:18 2002 Date: Tue, 16 Jul 2002 08:28:12 -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 Tue Jul 16 08:01:21 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_128752_12168 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153SS007_1 Current information on models submitted in prediction T0153SS007 MODEL_INDEX PIN CODE DATE E-mail T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 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: 154 # Number of residues with nonzero confidence: 154 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0153 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-21132.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-25702//target-align-25702.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 225.143 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-21132.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc63.32476/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: Mon Jul 15 16:43:00 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-25702//target-align-25702.a2m METHOD METHOD guide seq name: seed-seqs-21132.a2m(1), 154 bases, 44AE64B1 checksum. METHOD ###end 0 MODEL 1 M C 0.587 S C 0.461 T C 0.364 T E 0.421 L E 0.48 A E 0.5 I E 0.52 V E 0.505 R E 0.458 L C 0.417 D C 0.613 P C 0.635 G C 0.628 L C 0.573 P C 0.543 L C 0.552 P C 0.557 S C 0.529 R C 0.522 A C 0.567 H C 0.617 D C 0.616 G C 0.614 D C 0.604 A C 0.604 G C 0.631 V C 0.565 D C 0.471 L E 0.453 Y E 0.453 S C 0.395 A C 0.468 E C 0.485 D C 0.428 V E 0.515 E E 0.573 L E 0.493 A C 0.628 P C 0.701 G C 0.671 R C 0.564 R E 0.438 A E 0.58 L E 0.625 V E 0.593 R E 0.503 T C 0.44 G C 0.483 V C 0.431 A E 0.428 V E 0.447 A C 0.447 V C 0.592 P C 0.707 F C 0.644 G C 0.609 M C 0.405 V E 0.518 G E 0.548 L E 0.577 V E 0.543 H E 0.408 P C 0.556 R C 0.49 S C 0.456 G H 0.468 L H 0.498 A H 0.487 T H 0.46 R C 0.406 V C 0.535 G C 0.58 L E 0.461 S E 0.635 I E 0.625 V E 0.638 N E 0.594 S E 0.462 P E 0.433 G E 0.465 T E 0.555 I E 0.5 D C 0.584 A C 0.655 G C 0.668 Y C 0.595 R C 0.579 G C 0.415 E E 0.528 I E 0.632 K E 0.68 V E 0.706 A E 0.698 L E 0.669 I E 0.597 N E 0.42 L C 0.572 D C 0.652 P C 0.642 A C 0.568 A C 0.537 P E 0.438 I E 0.561 V E 0.583 V E 0.52 H C 0.497 R C 0.599 G C 0.616 D C 0.515 R E 0.406 I E 0.514 A E 0.524 Q E 0.562 L E 0.59 L E 0.611 V E 0.589 Q E 0.505 R E 0.415 V C 0.403 E C 0.49 L C 0.563 V C 0.591 E C 0.563 L C 0.514 V C 0.501 E C 0.462 V C 0.46 S C 0.465 S C 0.396 F C 0.375 D H 0.365 E H 0.386 A C 0.406 G C 0.476 L C 0.542 A C 0.657 S C 0.606 T C 0.583 S C 0.581 R C 0.597 G C 0.683 D C 0.69 G C 0.697 G C 0.728 H C 0.669 G C 0.669 S C 0.667 S C 0.651 G C 0.6 G C 0.519 H E 0.484 A E 0.617 S E 0.517 L C 0.54 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:42:07 2002 Date: Tue, 30 Jul 2002 05:42:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:14:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_268411_17338 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS007_1 Current information on models submitted in prediction T0153TS007 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 casp5@bialko.llnl.gov T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1DUD # Loading PARENT structure: 1dud (chain: ) # Number of residues in PARENT structure: 136 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 127 # Total number of atoms in model: 127 # Number of atoms with 1.0 occupancy: 127 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 127 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1DUD ATOM 7 CA THR 3 1.705 28.418 43.071 1.00 1.00 ATOM 8 CA THR 4 0.810 25.203 41.251 1.00 1.00 ATOM 9 CA LEU 5 2.865 24.007 38.263 1.00 1.00 ATOM 10 CA ALA 6 0.858 23.026 35.254 1.00 1.00 ATOM 11 CA ILE 7 3.562 21.837 32.906 1.00 1.00 ATOM 12 CA VAL 8 6.442 19.274 33.657 1.00 1.00 ATOM 13 CA ARG 9 8.885 21.437 31.845 1.00 1.00 ATOM 14 CA LEU 10 8.597 24.245 34.451 1.00 1.00 ATOM 15 CA ASP 11 11.392 24.017 37.082 1.00 1.00 ATOM 16 CA PRO 12 13.075 21.371 34.788 1.00 1.00 ATOM 17 CA GLY 13 13.582 22.719 31.311 1.00 1.00 ATOM 18 CA LEU 14 13.550 26.272 32.620 1.00 1.00 ATOM 19 CA PRO 15 13.258 27.717 36.093 1.00 1.00 ATOM 20 CA LEU 16 10.574 29.031 38.252 1.00 1.00 ATOM 21 CA PRO 17 10.535 32.824 38.332 1.00 1.00 ATOM 22 CA SER 18 12.708 34.544 40.830 1.00 1.00 ATOM 23 CA ARG 19 13.530 38.126 41.777 1.00 1.00 ATOM 24 CA ALA 20 16.944 38.953 40.248 1.00 1.00 ATOM 25 CA HIS 21 17.946 41.275 43.030 1.00 1.00 ATOM 26 CA ASP 22 16.662 41.942 46.510 1.00 1.00 ATOM 27 CA GLY 23 15.434 45.308 45.301 1.00 1.00 ATOM 28 CA ASP 24 13.561 43.906 42.291 1.00 1.00 ATOM 29 CA ALA 25 9.907 44.755 42.017 1.00 1.00 ATOM 30 CA GLY 26 8.947 42.374 39.087 1.00 1.00 ATOM 31 CA VAL 27 9.433 38.666 38.355 1.00 1.00 ATOM 32 CA ASP 28 10.222 37.707 34.719 1.00 1.00 ATOM 33 CA LEU 29 7.797 35.160 33.161 1.00 1.00 ATOM 34 CA TYR 30 8.948 32.729 30.434 1.00 1.00 ATOM 35 CA SER 31 7.152 31.422 27.439 1.00 1.00 ATOM 36 CA ALA 32 6.174 27.766 28.143 1.00 1.00 ATOM 37 CA GLU 33 6.013 26.762 24.544 1.00 1.00 ATOM 38 CA ASP 34 6.759 23.571 22.626 1.00 1.00 ATOM 41 CA VAL 35 6.392 31.148 17.623 1.00 1.00 ATOM 42 CA GLU 36 7.237 33.604 14.809 1.00 1.00 ATOM 43 CA LEU 37 5.293 36.934 15.115 1.00 1.00 ATOM 44 CA ALA 38 4.985 39.077 11.946 1.00 1.00 ATOM 45 CA PRO 39 4.378 42.795 12.603 1.00 1.00 ATOM 46 CA GLY 40 0.779 43.159 13.761 1.00 1.00 ATOM 47 CA ARG 41 0.338 39.630 15.073 1.00 1.00 ATOM 48 CA ARG 42 -0.644 38.729 18.541 1.00 1.00 ATOM 49 CA ALA 43 -0.431 35.253 20.185 1.00 1.00 ATOM 50 CA LEU 44 -1.231 33.739 23.549 1.00 1.00 ATOM 51 CA VAL 45 1.628 32.188 25.360 1.00 1.00 ATOM 52 CA ARG 46 1.193 29.853 28.343 1.00 1.00 ATOM 53 CA THR 47 3.479 30.167 31.291 1.00 1.00 ATOM 54 CA GLY 48 2.783 26.657 32.629 1.00 1.00 ATOM 55 CA VAL 49 1.972 28.285 36.045 1.00 1.00 ATOM 56 CA ALA 50 -1.146 29.150 38.017 1.00 1.00 ATOM 57 CA VAL 51 -1.048 31.236 41.222 1.00 1.00 ATOM 58 CA ALA 52 -3.684 31.980 43.796 1.00 1.00 ATOM 59 CA VAL 53 -3.055 35.356 45.511 1.00 1.00 ATOM 61 CA PRO 54 -5.670 37.946 49.710 1.00 1.00 ATOM 62 CA PHE 55 -8.260 40.497 48.406 1.00 1.00 ATOM 63 CA GLY 56 -6.033 43.523 49.242 1.00 1.00 ATOM 64 CA MET 57 -3.465 42.338 46.568 1.00 1.00 ATOM 65 CA VAL 58 -3.448 41.963 42.801 1.00 1.00 ATOM 66 CA GLY 59 -0.656 41.241 40.282 1.00 1.00 ATOM 67 CA LEU 60 -0.004 43.250 37.021 1.00 1.00 ATOM 68 CA VAL 61 1.734 41.884 33.927 1.00 1.00 ATOM 69 CA HIS 62 3.847 44.522 32.117 1.00 1.00 ATOM 70 CA PRO 63 6.067 44.422 28.995 1.00 1.00 ATOM 71 CA ARG 64 9.851 44.042 29.447 1.00 1.00 ATOM 72 CA SER 65 11.557 47.319 28.536 1.00 1.00 ATOM 73 CA GLY 66 14.234 46.103 26.191 1.00 1.00 ATOM 74 CA LEU 67 11.966 43.887 24.278 1.00 1.00 ATOM 75 CA ALA 68 9.161 46.504 24.216 1.00 1.00 ATOM 76 CA THR 69 11.261 49.473 23.345 1.00 1.00 ATOM 77 CA ARG 70 13.992 47.730 21.278 1.00 1.00 ATOM 78 CA VAL 71 11.975 45.029 19.574 1.00 1.00 ATOM 79 CA GLY 72 8.297 46.137 19.616 1.00 1.00 ATOM 80 CA LEU 73 7.232 43.063 21.657 1.00 1.00 ATOM 81 CA SER 74 4.607 44.022 24.179 1.00 1.00 ATOM 82 CA ILE 75 1.340 42.722 25.559 1.00 1.00 ATOM 83 CA VAL 76 -1.838 42.643 23.354 1.00 1.00 ATOM 84 CA ASN 77 -3.925 43.880 26.308 1.00 1.00 ATOM 85 CA SER 78 -1.138 46.372 27.300 1.00 1.00 ATOM 86 CA PRO 79 -1.274 45.598 31.041 1.00 1.00 ATOM 87 CA GLY 80 -2.769 42.346 32.376 1.00 1.00 ATOM 88 CA THR 81 -4.441 42.407 35.803 1.00 1.00 ATOM 89 CA ILE 82 -4.603 39.188 37.805 1.00 1.00 ATOM 90 CA ASP 83 -7.300 39.116 40.631 1.00 1.00 ATOM 91 CA ALA 84 -6.868 37.561 43.993 1.00 1.00 ATOM 92 CA GLY 85 -9.371 34.864 43.260 1.00 1.00 ATOM 93 CA TYR 86 -8.149 33.932 39.766 1.00 1.00 ATOM 94 CA ARG 87 -6.651 30.372 39.820 1.00 1.00 ATOM 95 CA GLY 88 -6.407 29.379 36.144 1.00 1.00 ATOM 96 CA GLU 89 -3.177 29.391 34.050 1.00 1.00 ATOM 97 CA ILE 90 -1.258 32.702 33.643 1.00 1.00 ATOM 98 CA LYS 91 -1.437 33.397 29.898 1.00 1.00 ATOM 99 CA VAL 92 0.422 36.261 28.278 1.00 1.00 ATOM 100 CA ALA 93 -1.025 38.115 25.295 1.00 1.00 ATOM 101 CA LEU 94 2.084 38.989 23.251 1.00 1.00 ATOM 102 CA ILE 95 1.547 41.586 20.434 1.00 1.00 ATOM 103 CA ASN 96 4.216 42.570 17.771 1.00 1.00 ATOM 104 CA LEU 97 3.698 46.350 17.644 1.00 1.00 ATOM 105 CA ASP 98 6.855 46.869 15.640 1.00 1.00 ATOM 106 CA PRO 99 7.964 46.555 12.098 1.00 1.00 ATOM 107 CA ALA 101 10.071 43.293 12.033 1.00 1.00 ATOM 108 CA PRO 102 9.023 39.675 12.447 1.00 1.00 ATOM 109 CA ILE 103 10.217 38.263 15.783 1.00 1.00 ATOM 110 CA VAL 104 10.363 34.636 16.939 1.00 1.00 ATOM 111 CA VAL 105 9.641 33.799 20.514 1.00 1.00 ATOM 112 CA HIS 106 11.886 30.994 21.789 1.00 1.00 ATOM 113 CA ARG 107 10.699 28.307 24.236 1.00 1.00 ATOM 114 CA GLY 108 11.608 29.498 27.690 1.00 1.00 ATOM 115 CA ASP 109 12.393 33.085 26.635 1.00 1.00 ATOM 116 CA ARG 110 11.507 35.779 29.258 1.00 1.00 ATOM 117 CA ILE 111 8.791 37.865 27.648 1.00 1.00 ATOM 118 CA ALA 112 6.886 39.796 30.296 1.00 1.00 ATOM 119 CA GLN 113 7.175 40.682 33.949 1.00 1.00 ATOM 120 CA LEU 114 4.823 40.580 36.926 1.00 1.00 ATOM 121 CA LEU 115 4.623 42.807 40.080 1.00 1.00 ATOM 122 CA VAL 116 2.224 42.431 43.090 1.00 1.00 ATOM 123 CA GLN 117 0.493 45.678 44.152 1.00 1.00 ATOM 124 CA ARG 118 -1.932 46.459 46.989 1.00 1.00 ATOM 125 CA VAL 119 -5.444 47.294 45.648 1.00 1.00 ATOM 126 CA GLU 120 -8.284 48.950 47.452 1.00 1.00 ATOM 127 CA LEU 121 -11.974 48.064 46.851 1.00 1.00 ATOM 128 CA VAL 122 -14.127 51.124 46.596 1.00 1.00 ATOM 129 CA GLU 123 -17.385 51.445 48.405 1.00 1.00 ATOM 130 CA LEU 124 -19.258 54.134 46.375 1.00 1.00 ATOM 131 CA VAL 125 -20.958 56.979 48.303 1.00 1.00 ATOM 132 CA GLU 126 -23.616 58.568 45.980 1.00 1.00 ATOM 133 CA VAL 127 -23.755 62.301 46.214 1.00 1.00 ATOM 134 CA ALA 133 -25.579 64.625 43.920 1.00 1.00 ATOM 135 CA GLY 134 -22.677 67.153 44.051 1.00 1.00 ATOM 136 CA LEU 135 -19.154 67.298 45.554 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:48:29 2002 Date: Tue, 30 Jul 2002 05:48:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:20:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_332335_17360 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS007_2 Current information on models submitted in prediction T0153TS007 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_2 PIN_332335_17360 6269-7633-6117 07/30/02 05:20:59 casp5@bialko.llnl.gov T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 casp5@bialko.llnl.gov T0153TS007_2 PIN_332335_17360 6269-7633-6117 07/30/02 05:20:59 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1EU5_A # Loading PARENT structure: 1eu5 (chain: A) # Number of residues in PARENT structure: 136 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 127 # Total number of atoms in model: 127 # Number of atoms with 1.0 occupancy: 127 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 127 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1EU5_A ATOM 7 CA THR 3 17.674 -12.140 31.544 1.00 1.00 ATOM 8 CA THR 4 20.895 -12.846 33.480 1.00 1.00 ATOM 9 CA LEU 5 21.075 -15.332 36.368 1.00 1.00 ATOM 10 CA ALA 6 23.069 -14.035 39.325 1.00 1.00 ATOM 11 CA ILE 7 22.759 -16.917 41.800 1.00 1.00 ATOM 12 CA VAL 8 23.357 -20.574 40.962 1.00 1.00 ATOM 13 CA ARG 9 20.306 -21.652 42.942 1.00 1.00 ATOM 14 CA LEU 10 18.094 -20.237 40.203 1.00 1.00 ATOM 15 CA ASP 11 16.893 -23.139 38.069 1.00 1.00 ATOM 16 CA PRO 12 18.682 -25.574 40.365 1.00 1.00 ATOM 17 CA GLY 13 16.602 -25.268 43.578 1.00 1.00 ATOM 18 CA LEU 14 13.575 -23.441 42.174 1.00 1.00 ATOM 19 CA PRO 15 12.519 -22.575 38.637 1.00 1.00 ATOM 20 CA LEU 16 12.960 -19.538 36.433 1.00 1.00 ATOM 21 CA PRO 17 9.832 -17.383 36.070 1.00 1.00 ATOM 22 CA SER 18 7.240 -18.648 33.641 1.00 1.00 ATOM 23 CA ARG 19 3.719 -17.575 32.665 1.00 1.00 ATOM 24 CA ALA 20 1.180 -19.987 34.144 1.00 1.00 ATOM 25 CA HIS 21 -0.916 -19.777 30.896 1.00 1.00 ATOM 26 CA ASP 22 -0.781 -17.943 27.557 1.00 1.00 ATOM 27 CA GLY 23 -3.473 -15.600 28.972 1.00 1.00 ATOM 28 CA ASP 24 -1.518 -14.720 32.144 1.00 1.00 ATOM 29 CA ALA 25 -0.598 -11.036 32.582 1.00 1.00 ATOM 30 CA GLY 26 2.072 -11.488 35.207 1.00 1.00 ATOM 31 CA VAL 27 5.084 -13.570 36.085 1.00 1.00 ATOM 32 CA ASP 28 5.573 -14.759 39.708 1.00 1.00 ATOM 33 CA LEU 29 8.989 -13.953 41.205 1.00 1.00 ATOM 34 CA TYR 30 10.567 -16.215 43.829 1.00 1.00 ATOM 35 CA SER 31 12.684 -15.500 46.896 1.00 1.00 ATOM 36 CA ALA 32 16.342 -16.385 46.404 1.00 1.00 ATOM 37 CA GLU 33 17.447 -16.923 50.025 1.00 1.00 ATOM 38 CA ASP 34 20.014 -18.980 51.892 1.00 1.00 ATOM 41 CA VAL 35 13.222 -14.889 56.713 1.00 1.00 ATOM 42 CA GLU 36 10.630 -14.326 59.396 1.00 1.00 ATOM 43 CA LEU 37 8.831 -11.025 58.955 1.00 1.00 ATOM 44 CA ALA 38 7.099 -9.630 61.988 1.00 1.00 ATOM 45 CA PRO 39 4.089 -7.294 61.674 1.00 1.00 ATOM 46 CA GLY 40 5.262 -3.997 60.311 1.00 1.00 ATOM 47 CA ARG 41 8.659 -5.376 59.218 1.00 1.00 ATOM 48 CA ARG 42 10.203 -4.800 55.742 1.00 1.00 ATOM 49 CA ALA 43 12.974 -7.000 54.278 1.00 1.00 ATOM 50 CA LEU 44 14.795 -6.788 50.899 1.00 1.00 ATOM 51 CA VAL 45 14.599 -10.128 49.179 1.00 1.00 ATOM 52 CA ARG 46 16.875 -10.993 46.246 1.00 1.00 ATOM 53 CA THR 47 15.585 -12.854 43.200 1.00 1.00 ATOM 54 CA GLY 48 18.963 -14.015 41.850 1.00 1.00 ATOM 55 CA VAL 49 17.846 -12.517 38.477 1.00 1.00 ATOM 56 CA ALA 50 18.471 -9.375 36.444 1.00 1.00 ATOM 57 CA VAL 51 16.657 -8.285 33.330 1.00 1.00 ATOM 58 CA ALA 52 17.505 -5.691 30.714 1.00 1.00 ATOM 59 CA VAL 53 14.337 -4.573 29.015 1.00 1.00 ATOM 61 CA PRO 54 13.215 -0.954 24.760 1.00 1.00 ATOM 62 CA PHE 55 12.295 2.522 26.130 1.00 1.00 ATOM 63 CA GLY 56 8.669 2.012 25.167 1.00 1.00 ATOM 64 CA MET 57 8.364 -0.805 27.746 1.00 1.00 ATOM 65 CA VAL 58 8.618 -1.036 31.525 1.00 1.00 ATOM 66 CA GLY 59 7.913 -3.582 34.201 1.00 1.00 ATOM 67 CA LEU 60 5.812 -3.169 37.321 1.00 1.00 ATOM 68 CA VAL 61 6.252 -5.347 40.405 1.00 1.00 ATOM 69 CA HIS 62 3.021 -6.036 42.319 1.00 1.00 ATOM 70 CA PRO 63 2.071 -8.015 45.424 1.00 1.00 ATOM 71 CA ARG 64 0.584 -11.448 44.940 1.00 1.00 ATOM 72 CA SER 65 -3.148 -11.190 45.513 1.00 1.00 ATOM 73 CA GLY 66 -3.491 -14.009 48.032 1.00 1.00 ATOM 74 CA LEU 67 -0.432 -13.103 49.971 1.00 1.00 ATOM 75 CA ALA 68 -1.612 -9.547 50.161 1.00 1.00 ATOM 76 CA THR 69 -5.243 -10.149 51.000 1.00 1.00 ATOM 77 CA ARG 70 -5.019 -13.268 53.140 1.00 1.00 ATOM 78 CA VAL 71 -1.618 -12.781 54.716 1.00 1.00 ATOM 79 CA GLY 72 -0.807 -9.049 54.642 1.00 1.00 ATOM 80 CA LEU 73 2.424 -9.695 52.701 1.00 1.00 ATOM 81 CA SER 74 2.856 -6.917 50.164 1.00 1.00 ATOM 82 CA ILE 75 5.609 -4.625 48.801 1.00 1.00 ATOM 83 CA VAL 76 7.272 -1.946 50.914 1.00 1.00 ATOM 84 CA ASN 77 7.298 0.439 47.946 1.00 1.00 ATOM 85 CA SER 78 3.729 -0.765 47.102 1.00 1.00 ATOM 86 CA PRO 79 4.430 -1.031 43.325 1.00 1.00 ATOM 87 CA GLY 80 8.003 -1.313 41.972 1.00 1.00 ATOM 88 CA THR 81 8.819 0.220 38.580 1.00 1.00 ATOM 89 CA ILE 82 11.631 -1.289 36.491 1.00 1.00 ATOM 90 CA ASP 83 12.975 1.056 33.814 1.00 1.00 ATOM 91 CA ALA 84 14.135 -0.088 30.398 1.00 1.00 ATOM 92 CA GLY 85 17.748 0.705 31.287 1.00 1.00 ATOM 93 CA TYR 86 17.796 -0.972 34.737 1.00 1.00 ATOM 94 CA ARG 87 20.258 -3.875 34.640 1.00 1.00 ATOM 95 CA GLY 88 20.855 -4.560 38.314 1.00 1.00 ATOM 96 CA GLU 89 19.413 -7.429 40.305 1.00 1.00 ATOM 97 CA ILE 90 15.629 -7.470 40.705 1.00 1.00 ATOM 98 CA LYS 91 15.074 -7.000 44.438 1.00 1.00 ATOM 99 CA VAL 92 11.707 -7.310 46.189 1.00 1.00 ATOM 100 CA ALA 93 10.812 -5.020 49.055 1.00 1.00 ATOM 101 CA LEU 94 8.603 -7.304 51.156 1.00 1.00 ATOM 102 CA ILE 95 6.467 -5.621 53.826 1.00 1.00 ATOM 103 CA ASN 96 4.188 -7.256 56.422 1.00 1.00 ATOM 104 CA LEU 97 1.244 -4.825 56.510 1.00 1.00 ATOM 105 CA ASP 98 -0.801 -7.109 58.736 1.00 1.00 ATOM 106 CA PRO 99 -0.915 -8.443 62.263 1.00 1.00 ATOM 107 CA ALA 101 0.527 -11.910 61.835 1.00 1.00 ATOM 108 CA PRO 102 4.181 -12.912 61.520 1.00 1.00 ATOM 109 CA ILE 103 5.034 -14.606 58.207 1.00 1.00 ATOM 110 CA VAL 104 8.080 -16.559 57.170 1.00 1.00 ATOM 111 CA VAL 105 9.299 -16.260 53.642 1.00 1.00 ATOM 112 CA HIS 106 10.665 -19.624 52.563 1.00 1.00 ATOM 113 CA ARG 107 13.545 -19.983 50.091 1.00 1.00 ATOM 114 CA GLY 108 12.072 -20.319 46.626 1.00 1.00 ATOM 115 CA ASP 109 8.628 -19.070 47.610 1.00 1.00 ATOM 116 CA ARG 110 6.649 -16.975 45.134 1.00 1.00 ATOM 117 CA ILE 111 6.465 -13.520 46.791 1.00 1.00 ATOM 118 CA ALA 112 5.602 -10.950 44.089 1.00 1.00 ATOM 119 CA GLN 113 4.514 -10.700 40.465 1.00 1.00 ATOM 120 CA LEU 114 5.836 -8.705 37.563 1.00 1.00 ATOM 121 CA LEU 115 3.955 -7.329 34.562 1.00 1.00 ATOM 122 CA VAL 116 5.376 -5.708 31.393 1.00 1.00 ATOM 123 CA GLN 117 3.480 -2.655 30.187 1.00 1.00 ATOM 124 CA ARG 118 4.016 -0.132 27.403 1.00 1.00 ATOM 125 CA VAL 119 5.027 3.274 28.634 1.00 1.00 ATOM 126 CA GLU 120 5.142 6.706 27.082 1.00 1.00 ATOM 127 CA LEU 121 7.593 9.537 27.802 1.00 1.00 ATOM 128 CA VAL 122 5.896 12.906 28.082 1.00 1.00 ATOM 129 CA GLU 123 7.285 15.815 26.036 1.00 1.00 ATOM 130 CA LEU 124 5.887 18.708 28.065 1.00 1.00 ATOM 131 CA VAL 125 4.237 21.671 26.286 1.00 1.00 ATOM 132 CA GLU 126 4.255 24.635 28.673 1.00 1.00 ATOM 133 CA VAL 127 0.981 26.574 28.666 1.00 1.00 ATOM 134 CA ALA 133 -0.239 29.248 31.009 1.00 1.00 ATOM 135 CA GLY 134 -3.895 28.255 30.662 1.00 1.00 ATOM 136 CA LEU 135 -5.442 25.080 29.311 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:59:18 2002 Date: Tue, 30 Jul 2002 05:59:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:31:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_440497_17392 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS007_3 Current information on models submitted in prediction T0153TS007 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_3 PIN_440497_17392 6269-7633-6117 07/30/02 05:31:47 casp5@bialko.llnl.gov T0153TS007_2 PIN_332335_17360 6269-7633-6117 07/30/02 05:20:59 casp5@bialko.llnl.gov T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 casp5@bialko.llnl.gov T0153TS007_2 PIN_332335_17360 6269-7633-6117 07/30/02 05:20:59 casp5@bialko.llnl.gov T0153TS007_3 PIN_440497_17392 6269-7633-6117 07/30/02 05:31:47 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1F7D_B # Loading PARENT structure: 1f7d (chain: B) # Number of residues in PARENT structure: 117 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue F 130 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 117 # Total number of atoms in model: 117 # Number of atoms with 1.0 occupancy: 117 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 117 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1F7D_B ATOM 201 CA VAL 8 -11.292 30.884 53.846 1.00 1.00 ATOM 202 CA ARG 9 -14.521 29.316 52.700 1.00 1.00 ATOM 203 CA LEU 10 -14.659 28.717 48.938 1.00 1.00 ATOM 204 CA ASP 11 -16.789 26.930 46.319 1.00 1.00 ATOM 205 CA PRO 12 -15.417 25.321 43.139 1.00 1.00 ATOM 206 CA GLY 13 -12.335 23.301 42.234 1.00 1.00 ATOM 207 CA LEU 14 -10.664 26.024 40.201 1.00 1.00 ATOM 208 CA PRO 15 -8.564 27.313 43.110 1.00 1.00 ATOM 209 CA LEU 16 -5.672 25.260 44.533 1.00 1.00 ATOM 210 CA PRO 17 -4.207 25.172 48.016 1.00 1.00 ATOM 211 CA SER 18 -0.755 26.676 48.476 1.00 1.00 ATOM 212 CA ARG 19 2.456 26.038 50.442 1.00 1.00 ATOM 213 CA ALA 20 2.992 28.355 53.383 1.00 1.00 ATOM 214 CA HIS 21 6.138 29.672 51.732 1.00 1.00 ATOM 215 CA ASP 24 4.216 30.683 48.653 1.00 1.00 ATOM 216 CA ALA 25 2.354 33.918 48.214 1.00 1.00 ATOM 217 CA GLY 26 -0.666 32.871 46.211 1.00 1.00 ATOM 218 CA VAL 27 -3.174 30.247 45.168 1.00 1.00 ATOM 219 CA ASP 28 -3.304 28.895 41.603 1.00 1.00 ATOM 220 CA LEU 29 -6.454 29.751 39.640 1.00 1.00 ATOM 221 CA TYR 30 -7.578 27.406 36.864 1.00 1.00 ATOM 222 CA SER 31 -9.611 27.957 33.687 1.00 1.00 ATOM 223 CA ALA 32 -13.119 26.544 33.881 1.00 1.00 ATOM 224 CA GLU 33 -13.425 26.416 30.088 1.00 1.00 ATOM 225 CA ASP 34 -11.239 26.210 26.945 1.00 1.00 ATOM 226 CA VAL 35 -10.820 29.745 25.615 1.00 1.00 ATOM 227 CA GLU 36 -9.375 31.067 22.345 1.00 1.00 ATOM 228 CA LEU 37 -7.677 34.466 22.215 1.00 1.00 ATOM 229 CA ALA 38 -6.695 36.343 19.045 1.00 1.00 ATOM 230 CA PRO 39 -3.733 38.754 19.300 1.00 1.00 ATOM 231 CA GLY 40 -5.033 41.816 21.160 1.00 1.00 ATOM 232 CA ARG 41 -8.251 40.117 22.280 1.00 1.00 ATOM 233 CA ARG 42 -9.416 40.294 25.875 1.00 1.00 ATOM 234 CA ALA 43 -11.722 37.765 27.442 1.00 1.00 ATOM 235 CA LEU 44 -12.929 37.195 31.006 1.00 1.00 ATOM 236 CA VAL 45 -11.736 33.647 31.764 1.00 1.00 ATOM 237 CA ARG 46 -14.118 31.936 34.163 1.00 1.00 ATOM 238 CA THR 47 -12.714 29.919 37.067 1.00 1.00 ATOM 239 CA GLY 48 -15.915 28.548 38.628 1.00 1.00 ATOM 240 CA VAL 49 -14.602 29.712 41.983 1.00 1.00 ATOM 241 CA ALA 50 -16.396 31.734 44.635 1.00 1.00 ATOM 242 CA VAL 51 -14.988 32.637 47.978 1.00 1.00 ATOM 243 CA ALA 52 -15.372 34.493 51.240 1.00 1.00 ATOM 244 CA VAL 53 -12.246 36.606 51.667 1.00 1.00 ATOM 245 CA PRO 54 -11.184 37.004 55.308 1.00 1.00 ATOM 246 CA PHE 55 -12.480 40.209 56.911 1.00 1.00 ATOM 247 CA GLY 56 -10.176 43.182 56.363 1.00 1.00 ATOM 248 CA MET 57 -8.451 41.678 53.313 1.00 1.00 ATOM 249 CA VAL 58 -8.891 41.890 49.496 1.00 1.00 ATOM 250 CA GLY 59 -7.726 39.568 46.720 1.00 1.00 ATOM 251 CA LEU 60 -5.121 40.407 44.067 1.00 1.00 ATOM 252 CA VAL 61 -5.329 38.450 40.833 1.00 1.00 ATOM 253 CA HIS 62 -1.863 38.445 39.290 1.00 1.00 ATOM 254 CA PRO 63 -0.122 36.563 36.495 1.00 1.00 ATOM 255 CA ARG 64 1.760 33.356 36.811 1.00 1.00 ATOM 256 CA SER 65 5.332 33.606 35.587 1.00 1.00 ATOM 257 CA GLY 66 4.782 30.548 33.428 1.00 1.00 ATOM 258 CA LEU 67 1.755 32.080 31.691 1.00 1.00 ATOM 259 CA ALA 68 3.159 35.608 31.342 1.00 1.00 ATOM 260 CA THR 69 6.161 34.028 29.627 1.00 1.00 ATOM 261 CA ARG 70 3.777 33.017 26.821 1.00 1.00 ATOM 262 CA VAL 71 2.564 36.557 26.165 1.00 1.00 ATOM 263 CA ILE 75 -0.649 36.614 28.209 1.00 1.00 ATOM 264 CA VAL 76 -1.362 39.354 30.703 1.00 1.00 ATOM 265 CA ASN 77 -3.823 39.719 33.560 1.00 1.00 ATOM 266 CA SER 78 -5.822 42.956 33.370 1.00 1.00 ATOM 267 CA PRO 79 -7.614 44.556 36.293 1.00 1.00 ATOM 268 CA GLY 80 -6.879 42.297 39.210 1.00 1.00 ATOM 269 CA THR 81 -9.005 43.441 42.143 1.00 1.00 ATOM 270 CA ILE 82 -11.378 41.213 44.091 1.00 1.00 ATOM 271 CA ASP 83 -13.119 43.278 46.766 1.00 1.00 ATOM 272 CA ALA 84 -13.554 41.835 50.259 1.00 1.00 ATOM 273 CA GLY 85 -17.302 41.585 49.779 1.00 1.00 ATOM 274 CA TYR 86 -17.379 39.984 46.328 1.00 1.00 ATOM 275 CA ARG 87 -19.148 36.591 46.524 1.00 1.00 ATOM 276 CA GLY 88 -19.721 35.901 42.801 1.00 1.00 ATOM 277 CA GLU 89 -17.677 33.736 40.475 1.00 1.00 ATOM 278 CA ILE 90 -14.079 34.773 39.990 1.00 1.00 ATOM 279 CA LYS 91 -13.208 35.726 36.412 1.00 1.00 ATOM 280 CA VAL 92 -9.646 36.429 35.242 1.00 1.00 ATOM 281 CA ALA 93 -9.461 39.168 32.650 1.00 1.00 ATOM 282 CA LEU 94 -6.824 38.039 30.184 1.00 1.00 ATOM 283 CA ILE 95 -5.356 39.527 27.073 1.00 1.00 ATOM 284 CA ASN 96 -3.169 37.972 24.416 1.00 1.00 ATOM 285 CA LEU 97 -0.412 40.540 23.845 1.00 1.00 ATOM 286 CA ASP 98 1.673 38.179 21.725 1.00 1.00 ATOM 287 CA PRO 99 1.507 38.171 17.928 1.00 1.00 ATOM 288 CA ALA 101 -0.117 34.749 17.533 1.00 1.00 ATOM 289 CA PRO 102 -3.469 33.301 18.611 1.00 1.00 ATOM 290 CA ILE 103 -3.419 31.350 21.853 1.00 1.00 ATOM 291 CA VAL 104 -5.744 28.705 23.241 1.00 1.00 ATOM 292 CA VAL 105 -6.114 28.388 27.028 1.00 1.00 ATOM 293 CA HIS 106 -7.114 24.836 27.957 1.00 1.00 ATOM 294 CA ARG 107 -9.720 23.852 30.498 1.00 1.00 ATOM 295 CA GLY 108 -8.064 23.318 33.893 1.00 1.00 ATOM 296 CA ASP 109 -4.838 25.046 33.005 1.00 1.00 ATOM 297 CA ARG 110 -3.229 27.452 35.452 1.00 1.00 ATOM 298 CA ILE 111 -4.082 30.998 34.386 1.00 1.00 ATOM 299 CA ALA 112 -3.227 33.260 37.371 1.00 1.00 ATOM 300 CA GLN 113 -2.833 33.308 41.143 1.00 1.00 ATOM 301 CA LEU 114 -4.803 34.869 43.977 1.00 1.00 ATOM 302 CA LEU 115 -2.884 36.728 46.713 1.00 1.00 ATOM 303 CA VAL 116 -4.670 37.952 49.838 1.00 1.00 ATOM 304 CA GLN 117 -3.655 41.439 50.897 1.00 1.00 ATOM 305 CA ARG 118 -4.678 43.651 53.811 1.00 1.00 ATOM 306 CA VAL 119 -7.208 46.443 53.389 1.00 1.00 ATOM 307 CA GLU 120 -6.743 50.108 54.287 1.00 1.00 ATOM 308 CA LEU 121 -9.772 52.246 54.448 1.00 1.00 ATOM 309 CA VAL 122 -9.338 56.002 54.705 1.00 1.00 ATOM 310 CA GLU 123 -12.078 58.584 54.440 1.00 1.00 ATOM 311 CA LEU 124 -11.123 61.225 51.854 1.00 1.00 ATOM 312 CA VAL 125 -10.833 64.858 53.047 1.00 1.00 ATOM 313 CA GLU 126 -10.234 67.823 50.734 1.00 1.00 ATOM 314 CA VAL 127 -7.394 70.044 51.982 1.00 1.00 ATOM 315 CA SER 128 -4.032 71.393 50.816 1.00 1.00 ATOM 316 CA SER 129 -1.182 69.179 49.702 1.00 1.00 ATOM 317 CA PHE 130 2.312 70.555 50.255 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:47:07 2002 Date: Tue, 30 Jul 2002 05:47:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:19:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_317459_17354 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS007_4 Current information on models submitted in prediction T0153TS007 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1F7K_A # Loading PARENT structure: 1f7k (chain: A) # Number of residues in PARENT structure: 117 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue F 130 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 117 # Total number of atoms in model: 117 # Number of atoms with 1.0 occupancy: 117 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 117 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1F7K_A ATOM 1 CA VAL 8 7.058 16.439 43.305 1.00 1.00 ATOM 2 CA ARG 9 9.513 18.843 41.688 1.00 1.00 ATOM 3 CA LEU 10 9.264 19.361 37.950 1.00 1.00 ATOM 4 CA ASP 11 10.867 21.700 35.436 1.00 1.00 ATOM 5 CA PRO 12 8.985 23.091 32.477 1.00 1.00 ATOM 6 CA GLY 13 5.426 23.979 31.580 1.00 1.00 ATOM 7 CA LEU 14 4.719 20.961 29.438 1.00 1.00 ATOM 8 CA PRO 15 2.847 19.121 32.192 1.00 1.00 ATOM 9 CA LEU 16 -0.446 20.202 33.765 1.00 1.00 ATOM 10 CA PRO 17 -1.839 20.033 37.310 1.00 1.00 ATOM 11 CA SER 18 -4.681 17.502 37.625 1.00 1.00 ATOM 12 CA ARG 19 -7.723 17.236 39.871 1.00 1.00 ATOM 13 CA ALA 20 -7.805 14.746 42.694 1.00 1.00 ATOM 14 CA HIS 21 -10.233 12.604 40.712 1.00 1.00 ATOM 15 CA ASP 24 -8.022 12.221 37.645 1.00 1.00 ATOM 16 CA ALA 25 -5.465 9.468 37.252 1.00 1.00 ATOM 17 CA GLY 26 -2.849 11.309 35.263 1.00 1.00 ATOM 18 CA VAL 27 -1.254 14.597 34.327 1.00 1.00 ATOM 19 CA ASP 28 -1.759 15.873 30.779 1.00 1.00 ATOM 20 CA LEU 29 1.462 16.184 28.778 1.00 1.00 ATOM 21 CA TYR 30 1.869 18.863 26.075 1.00 1.00 ATOM 22 CA SER 31 3.710 18.763 22.782 1.00 1.00 ATOM 23 CA ALA 32 6.658 21.202 22.856 1.00 1.00 ATOM 24 CA GLU 33 6.507 21.805 19.123 1.00 1.00 ATOM 25 CA ASP 34 4.423 21.125 16.073 1.00 1.00 ATOM 26 CA VAL 35 4.684 17.615 14.727 1.00 1.00 ATOM 27 CA GLU 36 3.603 16.135 11.452 1.00 1.00 ATOM 28 CA LEU 37 3.233 12.363 11.117 1.00 1.00 ATOM 29 CA ALA 38 2.602 10.426 7.928 1.00 1.00 ATOM 30 CA PRO 39 0.934 7.020 8.155 1.00 1.00 ATOM 31 CA GLY 40 3.340 4.590 9.767 1.00 1.00 ATOM 32 CA ARG 41 5.727 7.304 10.962 1.00 1.00 ATOM 33 CA ARG 42 7.362 7.154 14.418 1.00 1.00 ATOM 34 CA ALA 43 8.622 10.312 16.110 1.00 1.00 ATOM 35 CA LEU 44 9.790 11.121 19.621 1.00 1.00 ATOM 36 CA VAL 45 7.774 14.213 20.571 1.00 1.00 ATOM 37 CA ARG 46 9.442 16.524 23.117 1.00 1.00 ATOM 38 CA THR 47 7.543 17.963 26.057 1.00 1.00 ATOM 39 CA GLY 48 10.214 20.100 27.668 1.00 1.00 ATOM 40 CA VAL 49 9.463 18.808 31.151 1.00 1.00 ATOM 41 CA ALA 50 11.792 17.105 33.590 1.00 1.00 ATOM 42 CA VAL 51 10.755 15.617 36.919 1.00 1.00 ATOM 43 CA ALA 52 12.020 14.102 40.146 1.00 1.00 ATOM 44 CA VAL 53 9.633 11.240 40.608 1.00 1.00 ATOM 45 CA PRO 54 9.089 10.416 44.276 1.00 1.00 ATOM 46 CA PHE 55 11.131 7.566 45.721 1.00 1.00 ATOM 47 CA GLY 56 9.321 4.269 45.366 1.00 1.00 ATOM 48 CA MET 57 7.383 5.143 42.210 1.00 1.00 ATOM 49 CA VAL 58 7.856 5.140 38.420 1.00 1.00 ATOM 50 CA GLY 59 5.948 7.024 35.772 1.00 1.00 ATOM 51 CA LEU 60 3.750 5.562 33.056 1.00 1.00 ATOM 52 CA VAL 61 3.040 7.522 29.845 1.00 1.00 ATOM 53 CA HIS 62 -0.259 6.372 28.440 1.00 1.00 ATOM 54 CA PRO 63 -2.608 7.629 25.739 1.00 1.00 ATOM 55 CA ARG 64 -5.523 10.034 25.828 1.00 1.00 ATOM 56 CA SER 65 -8.808 8.997 24.225 1.00 1.00 ATOM 57 CA GLY 66 -8.972 12.049 21.958 1.00 1.00 ATOM 58 CA LEU 67 -5.671 11.393 20.205 1.00 1.00 ATOM 59 CA ALA 68 -6.013 7.660 20.400 1.00 1.00 ATOM 60 CA THR 69 -9.330 7.804 18.586 1.00 1.00 ATOM 61 CA ARG 70 -7.361 9.452 15.794 1.00 1.00 ATOM 62 CA VAL 71 -5.138 6.438 15.233 1.00 1.00 ATOM 63 CA ILE 75 -2.116 7.611 17.227 1.00 1.00 ATOM 64 CA VAL 76 -0.477 5.303 19.763 1.00 1.00 ATOM 65 CA ASN 77 2.092 5.779 22.489 1.00 1.00 ATOM 66 CA SER 78 5.080 3.370 22.519 1.00 1.00 ATOM 67 CA PRO 79 7.513 2.748 25.335 1.00 1.00 ATOM 68 CA GLY 80 6.250 4.868 28.223 1.00 1.00 ATOM 69 CA THR 81 8.223 3.853 31.294 1.00 1.00 ATOM 70 CA ILE 82 9.759 6.707 33.239 1.00 1.00 ATOM 71 CA ASP 83 12.194 5.338 35.789 1.00 1.00 ATOM 72 CA ALA 84 12.460 6.947 39.225 1.00 1.00 ATOM 73 CA GLY 85 16.085 7.807 38.614 1.00 1.00 ATOM 74 CA TYR 86 15.582 9.518 35.256 1.00 1.00 ATOM 75 CA ARG 87 16.330 13.228 35.184 1.00 1.00 ATOM 76 CA GLY 88 16.330 13.905 31.493 1.00 1.00 ATOM 77 CA GLU 89 13.503 15.534 29.598 1.00 1.00 ATOM 78 CA ILE 90 10.437 13.367 29.070 1.00 1.00 ATOM 79 CA LYS 91 9.717 12.334 25.534 1.00 1.00 ATOM 80 CA VAL 92 6.596 10.750 24.135 1.00 1.00 ATOM 81 CA ALA 93 7.143 8.138 21.443 1.00 1.00 ATOM 82 CA LEU 94 4.204 8.442 18.991 1.00 1.00 ATOM 83 CA ILE 95 3.270 6.514 15.830 1.00 1.00 ATOM 84 CA ASN 96 0.537 7.239 13.365 1.00 1.00 ATOM 85 CA LEU 97 -0.938 3.745 12.919 1.00 1.00 ATOM 86 CA ASP 98 -3.927 5.115 11.034 1.00 1.00 ATOM 87 CA PRO 99 -4.236 5.611 7.278 1.00 1.00 ATOM 88 CA ALA 101 -4.340 9.370 7.207 1.00 1.00 ATOM 89 CA PRO 102 -1.876 12.170 7.923 1.00 1.00 ATOM 90 CA ILE 103 -2.013 14.048 11.205 1.00 1.00 ATOM 91 CA VAL 104 -0.535 17.224 12.626 1.00 1.00 ATOM 92 CA VAL 105 -0.243 17.845 16.364 1.00 1.00 ATOM 93 CA HIS 106 -0.166 21.542 17.219 1.00 1.00 ATOM 94 CA ARG 107 2.350 23.125 19.525 1.00 1.00 ATOM 95 CA GLY 108 1.318 22.663 23.139 1.00 1.00 ATOM 96 CA ASP 109 -1.412 20.171 22.251 1.00 1.00 ATOM 97 CA ARG 110 -2.327 17.424 24.733 1.00 1.00 ATOM 98 CA ILE 111 -0.745 14.222 23.412 1.00 1.00 ATOM 99 CA ALA 112 -0.564 11.933 26.427 1.00 1.00 ATOM 100 CA GLN 113 -0.898 11.355 30.165 1.00 1.00 ATOM 101 CA LEU 114 1.526 10.593 32.983 1.00 1.00 ATOM 102 CA LEU 115 0.360 8.294 35.779 1.00 1.00 ATOM 103 CA VAL 116 2.376 7.668 38.922 1.00 1.00 ATOM 104 CA GLN 117 2.443 4.062 40.053 1.00 1.00 ATOM 105 CA ARG 118 4.261 2.073 42.832 1.00 1.00 ATOM 106 CA VAL 119 7.556 0.210 42.501 1.00 1.00 ATOM 107 CA GLU 120 8.029 -3.436 43.397 1.00 1.00 ATOM 108 CA LEU 121 11.601 -4.666 43.495 1.00 1.00 ATOM 109 CA VAL 122 12.122 -8.413 43.830 1.00 1.00 ATOM 110 CA GLU 123 15.321 -10.430 43.845 1.00 1.00 ATOM 111 CA LEU 124 15.615 -13.009 41.081 1.00 1.00 ATOM 112 CA VAL 125 16.031 -16.551 42.451 1.00 1.00 ATOM 113 CA GLU 126 16.828 -19.217 39.875 1.00 1.00 ATOM 114 CA VAL 127 14.703 -22.200 40.823 1.00 1.00 ATOM 115 CA SER 128 12.056 -24.428 39.295 1.00 1.00 ATOM 116 CA SER 129 8.563 -22.977 39.091 1.00 1.00 ATOM 117 CA PHE 130 5.933 -25.541 39.932 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:47:18 2002 Date: Tue, 30 Jul 2002 05:47:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:19:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_319160_17355 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS007_5 Current information on models submitted in prediction T0153TS007 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS007_1 PIN_268411_17338 6269-7633-6117 07/30/02 05:14:20 casp5@bialko.llnl.gov T0153TS007_4 PIN_317459_17354 6269-7633-6117 07/30/02 05:19:17 casp5@bialko.llnl.gov T0153TS007_5 PIN_319160_17355 6269-7633-6117 07/30/02 05:19:34 casp5@bialko.llnl.gov T0153SS007_1 PIN_128752_12168 6269-7633-6117 07/16/02 08:01:21 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 T0153 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1F7K_B # Loading PARENT structure: 1f7k (chain: B) # Number of residues in PARENT structure: 117 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue F 130 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 117 # Total number of atoms in model: 117 # Number of atoms with 1.0 occupancy: 117 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 117 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1F7K_B ATOM 201 CA VAL 8 -9.925 30.884 53.654 1.00 1.00 ATOM 202 CA ARG 9 -13.097 29.442 52.203 1.00 1.00 ATOM 203 CA LEU 10 -13.136 28.728 48.489 1.00 1.00 ATOM 204 CA ASP 11 -15.379 27.009 45.995 1.00 1.00 ATOM 205 CA PRO 12 -13.690 25.560 42.934 1.00 1.00 ATOM 206 CA GLY 13 -10.883 23.589 41.261 1.00 1.00 ATOM 207 CA LEU 14 -9.128 26.591 39.763 1.00 1.00 ATOM 208 CA PRO 15 -6.901 27.722 42.607 1.00 1.00 ATOM 209 CA LEU 16 -3.927 25.840 44.094 1.00 1.00 ATOM 210 CA PRO 17 -2.519 25.964 47.610 1.00 1.00 ATOM 211 CA SER 18 0.892 27.621 48.054 1.00 1.00 ATOM 212 CA ARG 19 3.954 27.196 50.218 1.00 1.00 ATOM 213 CA ALA 20 4.468 29.895 52.812 1.00 1.00 ATOM 214 CA HIS 21 7.509 31.160 50.914 1.00 1.00 ATOM 215 CA ASP 24 5.333 32.091 47.978 1.00 1.00 ATOM 216 CA ALA 25 3.397 35.269 47.463 1.00 1.00 ATOM 217 CA GLY 26 0.251 34.038 45.794 1.00 1.00 ATOM 218 CA VAL 27 -1.980 31.204 44.675 1.00 1.00 ATOM 219 CA ASP 28 -1.805 29.735 41.179 1.00 1.00 ATOM 220 CA LEU 29 -4.972 30.281 39.119 1.00 1.00 ATOM 221 CA TYR 30 -5.946 27.687 36.494 1.00 1.00 ATOM 222 CA SER 31 -8.014 28.141 33.321 1.00 1.00 ATOM 223 CA ALA 32 -11.432 26.421 33.340 1.00 1.00 ATOM 224 CA GLU 33 -11.736 26.267 29.586 1.00 1.00 ATOM 225 CA ASP 34 -9.595 26.125 26.444 1.00 1.00 ATOM 226 CA VAL 35 -9.216 29.668 25.149 1.00 1.00 ATOM 227 CA GLU 36 -7.913 31.047 21.894 1.00 1.00 ATOM 228 CA LEU 37 -6.602 34.622 21.717 1.00 1.00 ATOM 229 CA ALA 38 -5.703 36.439 18.519 1.00 1.00 ATOM 230 CA PRO 39 -3.129 39.216 18.660 1.00 1.00 ATOM 231 CA GLY 40 -4.745 42.214 20.311 1.00 1.00 ATOM 232 CA ARG 41 -7.759 40.185 21.430 1.00 1.00 ATOM 233 CA ARG 42 -9.103 40.550 24.956 1.00 1.00 ATOM 234 CA ALA 43 -10.859 37.675 26.603 1.00 1.00 ATOM 235 CA LEU 44 -12.102 37.044 30.098 1.00 1.00 ATOM 236 CA VAL 45 -10.840 33.577 31.080 1.00 1.00 ATOM 237 CA ARG 46 -12.965 31.746 33.711 1.00 1.00 ATOM 238 CA THR 47 -11.280 29.945 36.589 1.00 1.00 ATOM 239 CA GLY 48 -14.322 28.423 38.164 1.00 1.00 ATOM 240 CA VAL 49 -13.499 29.684 41.618 1.00 1.00 ATOM 241 CA ALA 50 -15.223 32.022 44.040 1.00 1.00 ATOM 242 CA VAL 51 -13.867 32.958 47.443 1.00 1.00 ATOM 243 CA ALA 52 -14.737 34.567 50.727 1.00 1.00 ATOM 244 CA VAL 53 -11.849 36.983 51.156 1.00 1.00 ATOM 245 CA PRO 54 -10.929 37.829 54.786 1.00 1.00 ATOM 246 CA PHE 55 -12.318 41.049 56.213 1.00 1.00 ATOM 247 CA GLY 56 -10.134 44.035 55.451 1.00 1.00 ATOM 248 CA MET 57 -8.380 42.315 52.565 1.00 1.00 ATOM 249 CA VAL 58 -8.606 42.323 48.788 1.00 1.00 ATOM 250 CA GLY 59 -7.174 39.999 46.154 1.00 1.00 ATOM 251 CA LEU 60 -4.756 41.190 43.480 1.00 1.00 ATOM 252 CA VAL 61 -4.639 39.222 40.235 1.00 1.00 ATOM 253 CA HIS 62 -1.146 39.475 38.763 1.00 1.00 ATOM 254 CA PRO 63 0.790 37.595 36.100 1.00 1.00 ATOM 255 CA ARG 64 3.100 34.595 36.245 1.00 1.00 ATOM 256 CA SER 65 6.463 34.786 34.513 1.00 1.00 ATOM 257 CA GLY 66 5.677 31.870 32.237 1.00 1.00 ATOM 258 CA LEU 67 2.730 33.341 30.394 1.00 1.00 ATOM 259 CA ALA 68 4.141 36.821 30.747 1.00 1.00 ATOM 260 CA THR 69 7.180 35.811 28.706 1.00 1.00 ATOM 261 CA ARG 70 4.672 34.549 26.162 1.00 1.00 ATOM 262 CA VAL 71 3.329 38.033 25.554 1.00 1.00 ATOM 263 CA ILE 75 0.106 37.749 27.507 1.00 1.00 ATOM 264 CA VAL 76 -0.793 40.555 29.849 1.00 1.00 ATOM 265 CA ASN 77 -3.215 40.571 32.741 1.00 1.00 ATOM 266 CA SER 78 -5.710 43.456 32.876 1.00 1.00 ATOM 267 CA PRO 79 -8.011 44.649 35.645 1.00 1.00 ATOM 268 CA GLY 80 -7.018 42.613 38.656 1.00 1.00 ATOM 269 CA THR 81 -8.874 43.796 41.688 1.00 1.00 ATOM 270 CA ILE 82 -10.976 41.291 43.560 1.00 1.00 ATOM 271 CA ASP 83 -13.101 43.219 46.088 1.00 1.00 ATOM 272 CA ALA 84 -13.682 41.955 49.618 1.00 1.00 ATOM 273 CA GLY 85 -17.428 41.782 49.054 1.00 1.00 ATOM 274 CA TYR 86 -17.104 39.989 45.728 1.00 1.00 ATOM 275 CA ARG 87 -18.599 36.503 45.921 1.00 1.00 ATOM 276 CA GLY 88 -19.081 35.391 42.349 1.00 1.00 ATOM 277 CA GLU 89 -16.629 33.525 40.163 1.00 1.00 ATOM 278 CA ILE 90 -13.196 35.036 39.752 1.00 1.00 ATOM 279 CA LYS 91 -12.206 35.987 36.245 1.00 1.00 ATOM 280 CA VAL 92 -8.883 36.893 34.656 1.00 1.00 ATOM 281 CA ALA 93 -8.907 39.502 31.886 1.00 1.00 ATOM 282 CA LEU 94 -6.219 38.667 29.351 1.00 1.00 ATOM 283 CA ILE 95 -4.916 40.213 26.156 1.00 1.00 ATOM 284 CA ASN 96 -2.509 38.811 23.605 1.00 1.00 ATOM 285 CA LEU 97 -0.105 41.695 23.206 1.00 1.00 ATOM 286 CA ASP 98 2.072 39.540 20.997 1.00 1.00 ATOM 287 CA PRO 99 2.227 39.120 17.234 1.00 1.00 ATOM 288 CA ALA 101 1.682 35.369 17.504 1.00 1.00 ATOM 289 CA PRO 102 -1.775 33.916 18.058 1.00 1.00 ATOM 290 CA ILE 103 -2.016 31.724 21.197 1.00 1.00 ATOM 291 CA VAL 104 -4.124 29.037 22.865 1.00 1.00 ATOM 292 CA VAL 105 -4.409 28.404 26.595 1.00 1.00 ATOM 293 CA HIS 106 -5.326 24.862 27.627 1.00 1.00 ATOM 294 CA ARG 107 -7.727 23.829 30.336 1.00 1.00 ATOM 295 CA GLY 108 -6.152 23.682 33.791 1.00 1.00 ATOM 296 CA ASP 109 -3.123 25.593 32.537 1.00 1.00 ATOM 297 CA ARG 110 -1.720 28.117 35.000 1.00 1.00 ATOM 298 CA ILE 111 -2.704 31.582 33.770 1.00 1.00 ATOM 299 CA ALA 112 -2.372 33.950 36.705 1.00 1.00 ATOM 300 CA GLN 113 -1.657 34.340 40.389 1.00 1.00 ATOM 301 CA LEU 114 -3.718 35.575 43.336 1.00 1.00 ATOM 302 CA LEU 115 -2.215 37.574 46.153 1.00 1.00 ATOM 303 CA VAL 116 -4.038 38.692 49.276 1.00 1.00 ATOM 304 CA GLN 117 -3.296 42.271 50.337 1.00 1.00 ATOM 305 CA ARG 118 -4.651 44.573 53.082 1.00 1.00 ATOM 306 CA VAL 119 -6.885 47.451 52.093 1.00 1.00 ATOM 307 CA GLU 120 -7.047 50.856 53.749 1.00 1.00 ATOM 308 CA LEU 121 -10.370 52.656 53.916 1.00 1.00 ATOM 309 CA VAL 122 -10.203 56.391 54.308 1.00 1.00 ATOM 310 CA GLU 123 -12.932 59.033 54.236 1.00 1.00 ATOM 311 CA LEU 124 -12.488 61.466 51.409 1.00 1.00 ATOM 312 CA VAL 125 -12.268 64.981 52.772 1.00 1.00 ATOM 313 CA GLU 126 -12.357 67.837 50.271 1.00 1.00 ATOM 314 CA VAL 127 -9.715 70.430 51.094 1.00 1.00 ATOM 315 CA SER 128 -6.517 71.932 49.707 1.00 1.00 ATOM 316 CA SER 129 -3.400 69.827 49.222 1.00 1.00 ATOM 317 CA PHE 130 -0.399 71.302 50.949 1.00 1.00 TER END ################################ # # # END # # # ################################