From mailer@bialko.llnl.gov Mon Jul 22 18:46:38 2002 Date: Mon, 22 Jul 2002 18:46:33 -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 Jul 22 18:19:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_309125_13473 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160SS007_1 Current information on models submitted in prediction T0160SS007 MODEL_INDEX PIN CODE DATE E-mail T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 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: 128 # Number of residues with nonzero confidence: 128 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0160 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-29531.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-3445//target-align-3445.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 103.334 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-29531.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc44.10113/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 22 11:33:40 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-3445//target-align-3445.a2m METHOD METHOD guide seq name: seed-seqs-29531.a2m(1), 128 bases, 5D2B61A6 checksum. METHOD ###end 0 MODEL 1 G C 0.69 S C 0.591 H C 0.589 M C 0.613 A C 0.622 K C 0.639 H C 0.669 E C 0.633 Q C 0.586 I C 0.436 L E 0.486 V E 0.542 L E 0.518 D C 0.513 P C 0.655 P C 0.633 S C 0.532 D E 0.401 L E 0.548 K E 0.586 F E 0.552 K C 0.462 G C 0.547 P C 0.634 F C 0.643 T C 0.662 D C 0.616 V C 0.508 V E 0.462 T E 0.533 T E 0.576 N E 0.614 L E 0.642 K E 0.648 L E 0.63 Q E 0.54 N C 0.53 P C 0.667 S C 0.683 D C 0.649 R C 0.558 K E 0.49 V E 0.625 C E 0.659 F E 0.689 K E 0.677 V E 0.671 K E 0.612 T C 0.448 T C 0.641 A C 0.728 P C 0.696 R C 0.583 R E 0.443 Y E 0.549 C E 0.573 V E 0.514 R C 0.595 P C 0.712 N C 0.677 S C 0.59 G C 0.536 V E 0.493 I E 0.486 D C 0.62 P C 0.683 G C 0.693 S C 0.588 I E 0.44 V E 0.586 Y E 0.649 V E 0.696 S E 0.701 V E 0.688 M E 0.629 L E 0.516 Q C 0.502 P C 0.612 F C 0.626 D C 0.619 Y C 0.598 D C 0.621 P C 0.61 N C 0.587 E C 0.572 K C 0.584 S C 0.616 K C 0.583 H C 0.474 K E 0.558 F E 0.67 M E 0.701 V E 0.707 Q E 0.683 T E 0.642 I E 0.589 F E 0.499 A C 0.541 P C 0.683 P C 0.688 N C 0.682 I H 0.463 S H 0.49 D H 0.591 M H 0.665 E H 0.691 A H 0.692 V H 0.684 W H 0.707 K H 0.708 E H 0.665 A H 0.538 K C 0.544 P C 0.582 D C 0.605 E C 0.558 L C 0.374 M E 0.491 D E 0.521 S E 0.534 K E 0.564 P E 0.599 R E 0.611 C E 0.653 V E 0.652 F E 0.602 E C 0.482 M C 0.683 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:35:07 2002 Date: Wed, 14 Aug 2002 03:35:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 03:07:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_202758_23054 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS007_1 Current information on models submitted in prediction T0160TS007 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 casp5@bialko.llnl.gov T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1MSP_A # Loading PARENT structure: 1msp (chain: A) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 120 # Total number of atoms in model: 120 # Number of atoms with 1.0 occupancy: 120 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 120 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1MSP_A ATOM 7 CA GLN 6 7.268 -11.569 14.027 1.00 1.00 ATOM 8 CA ILE 7 9.681 -10.543 16.750 1.00 1.00 ATOM 9 CA LEU 8 12.517 -8.216 16.732 1.00 1.00 ATOM 10 CA VAL 9 15.625 -8.207 18.831 1.00 1.00 ATOM 11 CA LEU 10 17.155 -5.006 20.169 1.00 1.00 ATOM 12 CA ASP 11 20.281 -4.270 22.063 1.00 1.00 ATOM 13 CA PRO 12 20.089 -3.145 24.862 1.00 1.00 ATOM 14 CA PRO 13 17.248 -5.506 25.282 1.00 1.00 ATOM 15 CA SER 14 15.149 -3.717 27.913 1.00 1.00 ATOM 16 CA ASP 15 16.221 -0.165 28.340 1.00 1.00 ATOM 17 CA LEU 16 18.609 2.531 27.690 1.00 1.00 ATOM 18 CA LYS 17 20.728 4.613 30.082 1.00 1.00 ATOM 19 CA PHE 18 22.008 8.056 29.588 1.00 1.00 ATOM 20 CA LYS 19 24.836 9.000 31.918 1.00 1.00 ATOM 21 CA GLY 20 25.589 12.482 33.345 1.00 1.00 ATOM 22 CA PRO 21 27.070 14.987 32.604 1.00 1.00 ATOM 23 CA PHE 22 24.200 16.494 30.531 1.00 1.00 ATOM 24 CA THR 23 25.925 19.523 29.066 1.00 1.00 ATOM 25 CA ASP 24 27.035 17.836 26.000 1.00 1.00 ATOM 26 CA VAL 25 25.162 16.244 23.111 1.00 1.00 ATOM 27 CA VAL 26 25.424 12.552 23.955 1.00 1.00 ATOM 28 CA THR 27 24.825 10.160 20.994 1.00 1.00 ATOM 29 CA THR 28 24.332 6.439 21.978 1.00 1.00 ATOM 30 CA ASN 29 23.419 3.627 19.525 1.00 1.00 ATOM 31 CA LEU 30 20.885 0.829 19.167 1.00 1.00 ATOM 32 CA LYS 31 20.904 -2.378 17.228 1.00 1.00 ATOM 33 CA LEU 32 17.758 -3.699 15.741 1.00 1.00 ATOM 34 CA GLN 33 17.413 -6.976 14.264 1.00 1.00 ATOM 35 CA ASN 34 14.570 -8.646 12.440 1.00 1.00 ATOM 36 CA PRO 35 14.097 -11.954 14.233 1.00 1.00 ATOM 37 CA SER 36 11.179 -12.995 12.094 1.00 1.00 ATOM 38 CA ASP 37 10.459 -14.864 8.851 1.00 1.00 ATOM 39 CA ARG 38 9.135 -11.917 6.780 1.00 1.00 ATOM 40 CA LYS 39 10.236 -8.479 5.791 1.00 1.00 ATOM 41 CA VAL 40 8.951 -5.778 8.017 1.00 1.00 ATOM 42 CA CYS 41 8.977 -1.978 8.112 1.00 1.00 ATOM 43 CA PHE 42 9.502 -0.120 11.251 1.00 1.00 ATOM 44 CA LYS 43 9.411 3.348 12.528 1.00 1.00 ATOM 45 CA VAL 44 10.353 5.047 15.848 1.00 1.00 ATOM 46 CA LYS 45 8.773 7.499 18.170 1.00 1.00 ATOM 47 CA THR 46 10.256 9.292 21.213 1.00 1.00 ATOM 48 CA THR 47 8.702 10.996 24.182 1.00 1.00 ATOM 49 CA ALA 48 10.603 14.223 23.513 1.00 1.00 ATOM 50 CA PRO 49 10.869 15.604 20.037 1.00 1.00 ATOM 51 CA ARG 50 13.088 18.412 21.424 1.00 1.00 ATOM 52 CA ARG 51 15.398 16.553 23.735 1.00 1.00 ATOM 53 CA TYR 52 15.502 13.108 21.888 1.00 1.00 ATOM 54 CA CYS 53 16.447 12.340 18.351 1.00 1.00 ATOM 55 CA VAL 54 16.839 9.233 16.189 1.00 1.00 ATOM 56 CA ARG 55 18.393 8.419 12.968 1.00 1.00 ATOM 57 CA PRO 56 17.416 6.774 10.980 1.00 1.00 ATOM 58 CA ASN 57 13.757 7.125 11.978 1.00 1.00 ATOM 59 CA SER 58 12.201 4.322 9.931 1.00 1.00 ATOM 60 CA GLY 59 12.930 1.673 7.442 1.00 1.00 ATOM 61 CA VAL 60 12.584 -1.907 6.189 1.00 1.00 ATOM 62 CA ILE 61 14.562 -5.052 7.290 1.00 1.00 ATOM 63 CA ASP 62 14.471 -8.382 5.619 1.00 1.00 ATOM 64 CA PRO 63 14.506 -11.321 7.978 1.00 1.00 ATOM 65 CA GLY 64 17.637 -11.558 10.172 1.00 1.00 ATOM 66 CA SER 65 18.760 -8.203 8.843 1.00 1.00 ATOM 67 CA ILE 66 19.927 -5.639 11.258 1.00 1.00 ATOM 68 CA VAL 67 20.237 -2.027 11.584 1.00 1.00 ATOM 69 CA TYR 68 22.254 0.295 13.738 1.00 1.00 ATOM 70 CA VAL 69 20.481 3.378 14.681 1.00 1.00 ATOM 71 CA SER 70 21.387 6.547 16.466 1.00 1.00 ATOM 72 CA VAL 71 19.813 8.033 19.589 1.00 1.00 ATOM 73 CA MET 72 20.843 11.522 20.776 1.00 1.00 ATOM 74 CA LEU 73 20.390 13.749 23.738 1.00 1.00 ATOM 75 CA GLN 74 20.471 17.602 23.877 1.00 1.00 ATOM 76 CA PRO 75 21.865 19.568 26.660 1.00 1.00 ATOM 77 CA PHE 76 19.431 20.094 29.448 1.00 1.00 ATOM 78 CA ASP 77 18.976 20.626 33.215 1.00 1.00 ATOM 79 CA TYR 78 18.074 17.552 35.166 1.00 1.00 ATOM 80 CA ASP 79 17.531 19.443 38.393 1.00 1.00 ATOM 81 CA PRO 80 14.231 20.715 37.146 1.00 1.00 ATOM 82 CA ASN 81 12.823 18.443 34.494 1.00 1.00 ATOM 83 CA GLU 82 11.114 15.151 34.240 1.00 1.00 ATOM 84 CA LYS 83 13.320 12.143 33.934 1.00 1.00 ATOM 85 CA SER 84 11.293 9.284 35.210 1.00 1.00 ATOM 86 CA LYS 85 9.086 9.377 32.028 1.00 1.00 ATOM 87 CA HIS 86 10.905 9.323 28.641 1.00 1.00 ATOM 88 CA LYS 87 10.889 6.383 26.197 1.00 1.00 ATOM 89 CA PHE 88 11.631 5.177 22.716 1.00 1.00 ATOM 90 CA MET 89 8.992 3.115 20.849 1.00 1.00 ATOM 91 CA VAL 90 9.616 0.873 17.979 1.00 1.00 ATOM 92 CA GLN 91 6.550 0.080 15.968 1.00 1.00 ATOM 93 CA THR 92 6.613 -2.483 13.295 1.00 1.00 ATOM 94 CA ILE 93 4.551 -4.559 10.915 1.00 1.00 ATOM 95 CA PHE 94 4.997 -7.086 8.079 1.00 1.00 ATOM 96 CA ALA 95 5.486 -5.420 4.738 1.00 1.00 ATOM 97 CA PRO 96 2.974 -6.218 2.044 1.00 1.00 ATOM 98 CA PRO 97 3.590 -8.816 -0.695 1.00 1.00 ATOM 99 CA ASN 98 5.403 -7.204 -3.595 1.00 1.00 ATOM 100 CA ILE 99 6.621 -4.076 -1.617 1.00 1.00 ATOM 101 CA SER 100 9.881 -2.189 -2.091 1.00 1.00 ATOM 102 CA ASP 101 12.658 -1.372 0.271 1.00 1.00 ATOM 103 CA MET 102 11.357 1.995 1.183 1.00 1.00 ATOM 104 CA GLU 103 9.244 2.750 4.090 1.00 1.00 ATOM 105 CA ALA 104 5.641 3.807 3.522 1.00 1.00 ATOM 106 CA VAL 105 3.626 5.019 6.466 1.00 1.00 ATOM 107 CA TRP 106 0.417 3.736 4.972 1.00 1.00 ATOM 108 CA LYS 107 1.459 0.211 5.917 1.00 1.00 ATOM 109 CA GLU 108 0.454 1.136 9.457 1.00 1.00 ATOM 110 CA ALA 109 -2.909 2.661 8.500 1.00 1.00 ATOM 111 CA LYS 110 -4.284 -0.276 6.610 1.00 1.00 ATOM 112 CA PRO 111 -6.120 -3.235 7.742 1.00 1.00 ATOM 113 CA ASP 112 -3.869 -5.295 9.853 1.00 1.00 ATOM 114 CA GLU 113 -1.668 -5.516 12.995 1.00 1.00 ATOM 115 CA LEU 114 1.090 -3.284 14.311 1.00 1.00 ATOM 116 CA MET 115 3.555 -4.556 16.910 1.00 1.00 ATOM 117 CA ASP 116 5.099 -2.287 19.508 1.00 1.00 ATOM 118 CA SER 117 8.248 -2.269 21.714 1.00 1.00 ATOM 119 CA LYS 118 9.186 0.311 24.120 1.00 1.00 ATOM 120 CA PRO 119 12.682 0.968 25.457 1.00 1.00 ATOM 121 CA ARG 120 12.489 3.270 28.370 1.00 1.00 ATOM 122 CA CYS 121 15.177 5.969 29.029 1.00 1.00 ATOM 123 CA VAL 122 16.933 5.856 32.321 1.00 1.00 ATOM 124 CA PHE 123 18.899 8.870 33.339 1.00 1.00 ATOM 125 CA GLU 124 21.963 8.190 35.489 1.00 1.00 ATOM 126 CA MET 125 23.108 11.223 37.430 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:41:29 2002 Date: Wed, 14 Aug 2002 03:41:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 03:13:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_265345_23074 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS007_3 Current information on models submitted in prediction T0160TS007 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_3 PIN_265345_23074 6269-7633-6117 08/14/02 03:13:36 casp5@bialko.llnl.gov T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 casp5@bialko.llnl.gov T0160TS007_3 PIN_265345_23074 6269-7633-6117 08/14/02 03:13:36 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1GRW_B # Loading PARENT structure: 1grw (chain: B) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1GRW_B ATOM 5 CA HIS 4 25.407 -10.195 13.135 1.00 1.00 ATOM 6 CA GLU 5 27.587 -9.219 16.072 1.00 1.00 ATOM 7 CA GLN 6 26.720 -11.393 19.049 1.00 1.00 ATOM 8 CA ILE 7 25.932 -9.840 22.407 1.00 1.00 ATOM 9 CA LEU 8 28.328 -8.810 25.097 1.00 1.00 ATOM 10 CA VAL 9 27.842 -8.512 28.848 1.00 1.00 ATOM 11 CA LEU 10 28.676 -5.369 30.780 1.00 1.00 ATOM 12 CA ASP 11 29.168 -4.770 34.512 1.00 1.00 ATOM 13 CA PRO 12 27.418 -2.703 35.517 1.00 1.00 ATOM 14 CA PRO 13 24.695 -4.167 33.268 1.00 1.00 ATOM 15 CA SER 14 22.270 -1.263 32.536 1.00 1.00 ATOM 16 CA ASP 15 23.777 1.978 33.848 1.00 1.00 ATOM 17 CA LEU 16 26.589 3.485 35.920 1.00 1.00 ATOM 18 CA LYS 17 25.980 5.698 38.966 1.00 1.00 ATOM 19 CA PHE 18 28.454 8.401 39.997 1.00 1.00 ATOM 20 CA LYS 19 28.349 9.374 43.669 1.00 1.00 ATOM 21 CA GLY 20 28.946 12.971 44.931 1.00 1.00 ATOM 22 CA PRO 21 31.027 14.827 45.882 1.00 1.00 ATOM 23 CA PHE 22 32.113 15.997 42.419 1.00 1.00 ATOM 24 CA THR 23 35.018 18.263 43.339 1.00 1.00 ATOM 25 CA ASP 24 37.800 15.926 42.244 1.00 1.00 ATOM 26 CA VAL 25 38.171 13.683 39.194 1.00 1.00 ATOM 27 CA VAL 26 36.791 10.276 40.004 1.00 1.00 ATOM 28 CA THR 27 37.491 7.218 37.937 1.00 1.00 ATOM 29 CA THR 28 34.992 4.399 37.610 1.00 1.00 ATOM 30 CA ASN 29 35.416 1.079 35.859 1.00 1.00 ATOM 31 CA LEU 30 33.242 -0.912 33.416 1.00 1.00 ATOM 32 CA LYS 31 33.786 -4.583 32.587 1.00 1.00 ATOM 33 CA LEU 32 32.938 -5.516 28.977 1.00 1.00 ATOM 34 CA GLN 33 32.835 -9.234 28.240 1.00 1.00 ATOM 35 CA ASN 34 32.605 -10.733 24.794 1.00 1.00 ATOM 36 CA PRO 35 30.131 -13.556 25.407 1.00 1.00 ATOM 37 CA SER 36 29.775 -14.191 21.667 1.00 1.00 ATOM 38 CA ASP 37 31.431 -16.925 19.721 1.00 1.00 ATOM 39 CA ARG 38 33.360 -14.572 17.509 1.00 1.00 ATOM 40 CA LYS 39 36.201 -12.129 17.952 1.00 1.00 ATOM 41 CA VAL 40 34.810 -8.581 18.061 1.00 1.00 ATOM 42 CA CYS 41 36.266 -5.096 17.730 1.00 1.00 ATOM 43 CA PHE 42 34.762 -2.474 20.030 1.00 1.00 ATOM 44 CA LYS 43 34.586 1.316 20.211 1.00 1.00 ATOM 45 CA VAL 44 33.557 3.439 23.239 1.00 1.00 ATOM 46 CA LYS 45 32.018 6.956 23.082 1.00 1.00 ATOM 47 CA THR 46 30.486 9.354 25.597 1.00 1.00 ATOM 48 CA THR 47 28.012 12.219 25.488 1.00 1.00 ATOM 49 CA ALA 48 30.426 14.607 27.279 1.00 1.00 ATOM 50 CA PRO 49 33.975 14.739 25.876 1.00 1.00 ATOM 51 CA ARG 50 34.716 17.691 28.159 1.00 1.00 ATOM 52 CA ARG 51 33.835 15.953 31.471 1.00 1.00 ATOM 53 CA TYR 52 33.941 12.260 30.580 1.00 1.00 ATOM 54 CA CYS 53 36.718 10.064 29.169 1.00 1.00 ATOM 55 CA VAL 54 37.060 6.298 28.645 1.00 1.00 ATOM 56 CA ARG 55 40.228 4.236 28.296 1.00 1.00 ATOM 57 CA PRO 56 40.814 2.221 26.384 1.00 1.00 ATOM 58 CA ASN 57 38.555 3.928 23.851 1.00 1.00 ATOM 59 CA SER 58 38.776 0.942 21.494 1.00 1.00 ATOM 60 CA GLY 59 40.158 -2.590 21.243 1.00 1.00 ATOM 61 CA VAL 60 39.555 -6.207 20.324 1.00 1.00 ATOM 62 CA ILE 61 38.169 -9.074 22.389 1.00 1.00 ATOM 63 CA ASP 62 38.414 -12.804 21.610 1.00 1.00 ATOM 64 CA PRO 63 35.414 -14.999 22.402 1.00 1.00 ATOM 65 CA GLY 64 34.934 -15.056 26.189 1.00 1.00 ATOM 66 CA SER 65 37.673 -12.468 26.753 1.00 1.00 ATOM 67 CA ILE 66 36.983 -9.445 28.969 1.00 1.00 ATOM 68 CA VAL 67 38.313 -5.934 29.319 1.00 1.00 ATOM 69 CA TYR 68 38.093 -3.401 32.145 1.00 1.00 ATOM 70 CA VAL 69 37.422 0.162 31.074 1.00 1.00 ATOM 71 CA SER 70 38.263 3.287 33.001 1.00 1.00 ATOM 72 CA VAL 71 35.589 5.914 32.946 1.00 1.00 ATOM 73 CA MET 72 36.804 9.249 34.279 1.00 1.00 ATOM 74 CA LEU 73 34.545 12.014 35.514 1.00 1.00 ATOM 75 CA GLN 74 36.241 15.441 35.795 1.00 1.00 ATOM 76 CA PRO 75 35.259 17.760 38.651 1.00 1.00 ATOM 77 CA PHE 76 32.234 19.915 37.879 1.00 1.00 ATOM 78 CA ASP 77 29.558 22.145 39.469 1.00 1.00 ATOM 79 CA TYR 78 26.623 19.872 40.001 1.00 1.00 ATOM 80 CA ASP 79 23.668 22.278 40.110 1.00 1.00 ATOM 81 CA PRO 80 24.903 24.453 37.219 1.00 1.00 ATOM 82 CA ASN 81 25.498 21.632 34.736 1.00 1.00 ATOM 83 CA GLU 82 23.582 19.315 32.497 1.00 1.00 ATOM 84 CA LYS 83 23.467 15.955 34.291 1.00 1.00 ATOM 85 CA SER 84 20.287 14.544 32.870 1.00 1.00 ATOM 86 CA LYS 85 21.760 13.390 29.577 1.00 1.00 ATOM 87 CA HIS 86 25.070 11.587 30.052 1.00 1.00 ATOM 88 CA LYS 87 25.758 8.100 28.838 1.00 1.00 ATOM 89 CA PHE 88 28.534 5.775 27.665 1.00 1.00 ATOM 90 CA MET 89 28.084 3.844 24.414 1.00 1.00 ATOM 91 CA VAL 90 29.770 0.561 23.571 1.00 1.00 ATOM 92 CA GLN 91 29.813 -0.051 19.761 1.00 1.00 ATOM 93 CA THR 92 30.985 -3.386 18.396 1.00 1.00 ATOM 94 CA ILE 93 31.126 -5.619 15.344 1.00 1.00 ATOM 95 CA PHE 94 32.662 -9.007 14.401 1.00 1.00 ATOM 96 CA ALA 95 36.305 -8.672 13.244 1.00 1.00 ATOM 97 CA PRO 96 36.911 -9.530 9.583 1.00 1.00 ATOM 98 CA PRO 97 38.179 -12.994 8.786 1.00 1.00 ATOM 99 CA ASN 98 41.932 -13.395 9.232 1.00 1.00 ATOM 100 CA ILE 99 43.299 -10.037 10.469 1.00 1.00 ATOM 101 CA SER 100 45.062 -9.155 13.690 1.00 1.00 ATOM 102 CA MET 102 44.216 -7.930 17.122 1.00 1.00 ATOM 103 CA GLU 103 44.686 -4.229 16.294 1.00 1.00 ATOM 104 CA ALA 104 41.437 -2.249 16.088 1.00 1.00 ATOM 105 CA VAL 105 40.686 -0.675 12.728 1.00 1.00 ATOM 106 CA TRP 106 38.082 2.101 12.378 1.00 1.00 ATOM 107 CA LYS 107 37.470 0.620 8.904 1.00 1.00 ATOM 108 CA GLU 108 35.508 -2.298 10.375 1.00 1.00 ATOM 109 CA ALA 109 32.688 0.113 11.307 1.00 1.00 ATOM 110 CA LYS 110 32.999 1.825 7.989 1.00 1.00 ATOM 111 CA PRO 111 32.738 -0.999 5.431 1.00 1.00 ATOM 112 CA ASP 112 29.670 -3.037 4.535 1.00 1.00 ATOM 113 CA GLU 113 28.078 -4.732 7.493 1.00 1.00 ATOM 114 CA LEU 114 26.524 -4.457 10.889 1.00 1.00 ATOM 115 CA MET 115 27.294 -2.497 14.028 1.00 1.00 ATOM 116 CA ASP 116 25.741 -3.257 17.414 1.00 1.00 ATOM 117 CA SER 117 25.508 -0.826 20.299 1.00 1.00 ATOM 118 CA LYS 118 24.804 -0.832 23.996 1.00 1.00 ATOM 120 CA PRO 119 24.964 2.736 29.599 1.00 1.00 ATOM 121 CA ARG 120 23.344 5.928 30.918 1.00 1.00 ATOM 122 CA CYS 121 25.292 7.807 33.589 1.00 1.00 ATOM 123 CA VAL 122 23.118 8.600 36.651 1.00 1.00 ATOM 124 CA PHE 123 24.310 11.070 39.277 1.00 1.00 ATOM 125 CA GLU 124 23.738 10.495 43.010 1.00 1.00 ATOM 126 CA MET 125 24.234 13.783 44.777 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:35:17 2002 Date: Wed, 14 Aug 2002 03:35:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 03:07:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_204626_23055 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS007_4 Current information on models submitted in prediction T0160TS007 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1GRW_C # Loading PARENT structure: 1grw (chain: C) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1GRW_C ATOM 5 CA HIS 4 19.040 -7.340 13.150 1.00 1.00 ATOM 6 CA GLU 5 17.787 -5.202 10.258 1.00 1.00 ATOM 7 CA GLN 6 17.017 -7.220 7.103 1.00 1.00 ATOM 8 CA ILE 7 18.671 -6.468 3.753 1.00 1.00 ATOM 9 CA LEU 8 17.826 -3.796 1.204 1.00 1.00 ATOM 10 CA VAL 9 18.256 -3.783 -2.577 1.00 1.00 ATOM 11 CA LEU 10 19.826 -0.812 -4.366 1.00 1.00 ATOM 12 CA ASP 11 19.953 0.252 -8.011 1.00 1.00 ATOM 13 CA PRO 12 22.668 0.516 -9.031 1.00 1.00 ATOM 14 CA PRO 13 23.541 -2.475 -6.829 1.00 1.00 ATOM 15 CA SER 14 27.322 -2.061 -6.459 1.00 1.00 ATOM 16 CA ASP 15 28.539 1.389 -7.289 1.00 1.00 ATOM 17 CA LEU 16 27.553 4.418 -9.316 1.00 1.00 ATOM 18 CA LYS 17 29.503 5.936 -12.169 1.00 1.00 ATOM 19 CA PHE 18 29.634 9.666 -12.885 1.00 1.00 ATOM 20 CA LYS 19 30.409 10.468 -16.547 1.00 1.00 ATOM 21 CA GLY 20 32.407 13.553 -17.623 1.00 1.00 ATOM 22 CA PRO 21 32.094 16.323 -18.380 1.00 1.00 ATOM 23 CA PHE 22 32.167 17.784 -14.855 1.00 1.00 ATOM 24 CA THR 23 31.742 21.437 -15.647 1.00 1.00 ATOM 25 CA ASP 24 28.117 21.615 -14.567 1.00 1.00 ATOM 26 CA VAL 25 26.126 20.253 -11.667 1.00 1.00 ATOM 27 CA VAL 26 24.988 16.754 -12.429 1.00 1.00 ATOM 28 CA THR 27 22.220 14.942 -10.627 1.00 1.00 ATOM 29 CA THR 28 22.166 11.143 -10.482 1.00 1.00 ATOM 30 CA ASN 29 19.552 8.870 -8.930 1.00 1.00 ATOM 31 CA LEU 30 19.712 5.822 -6.621 1.00 1.00 ATOM 32 CA LYS 31 16.797 3.523 -5.916 1.00 1.00 ATOM 33 CA LEU 32 16.719 2.079 -2.402 1.00 1.00 ATOM 34 CA GLN 33 14.257 -0.782 -1.918 1.00 1.00 ATOM 35 CA ASN 34 13.304 -2.168 1.476 1.00 1.00 ATOM 36 CA PRO 35 13.099 -5.904 0.673 1.00 1.00 ATOM 37 CA SER 36 12.940 -6.824 4.388 1.00 1.00 ATOM 38 CA ASP 37 9.650 -7.676 6.082 1.00 1.00 ATOM 39 CA ARG 38 9.815 -4.784 8.530 1.00 1.00 ATOM 40 CA LYS 39 9.718 -1.032 8.482 1.00 1.00 ATOM 41 CA VAL 40 13.202 0.517 8.507 1.00 1.00 ATOM 42 CA CYS 41 14.563 3.991 9.016 1.00 1.00 ATOM 43 CA PHE 42 17.531 5.027 6.869 1.00 1.00 ATOM 44 CA LYS 43 20.253 7.647 6.766 1.00 1.00 ATOM 45 CA VAL 44 22.464 8.517 3.783 1.00 1.00 ATOM 46 CA LYS 45 26.005 9.907 3.954 1.00 1.00 ATOM 47 CA THR 46 28.673 10.712 1.332 1.00 1.00 ATOM 48 CA THR 47 32.435 11.346 1.588 1.00 1.00 ATOM 49 CA ALA 48 32.447 14.832 0.039 1.00 1.00 ATOM 50 CA PRO 49 29.804 17.076 1.591 1.00 1.00 ATOM 51 CA ARG 50 31.162 19.926 -0.534 1.00 1.00 ATOM 52 CA ARG 51 30.830 18.261 -3.945 1.00 1.00 ATOM 53 CA TYR 52 28.203 15.587 -3.234 1.00 1.00 ATOM 54 CA CYS 53 24.774 15.815 -1.650 1.00 1.00 ATOM 55 CA VAL 54 21.887 13.379 -1.379 1.00 1.00 ATOM 56 CA ARG 55 18.139 14.069 -1.082 1.00 1.00 ATOM 57 CA PRO 56 16.375 12.916 0.772 1.00 1.00 ATOM 58 CA ASN 57 19.207 12.429 3.341 1.00 1.00 ATOM 59 CA SER 58 17.134 10.213 5.615 1.00 1.00 ATOM 60 CA GLY 59 13.668 8.646 5.768 1.00 1.00 ATOM 61 CA VAL 60 11.479 5.611 6.560 1.00 1.00 ATOM 62 CA ILE 61 10.558 2.736 4.248 1.00 1.00 ATOM 63 CA ASP 62 7.690 0.363 4.868 1.00 1.00 ATOM 64 CA PRO 63 8.302 -3.245 3.840 1.00 1.00 ATOM 65 CA GLY 64 8.642 -3.594 0.040 1.00 1.00 ATOM 66 CA SER 65 8.553 0.233 -0.303 1.00 1.00 ATOM 67 CA ILE 66 11.130 2.071 -2.363 1.00 1.00 ATOM 68 CA VAL 67 12.614 5.519 -2.452 1.00 1.00 ATOM 69 CA TYR 68 14.509 7.236 -5.231 1.00 1.00 ATOM 70 CA VAL 69 17.359 9.331 -3.918 1.00 1.00 ATOM 71 CA SER 70 18.897 12.253 -5.747 1.00 1.00 ATOM 72 CA VAL 71 22.706 12.338 -5.688 1.00 1.00 ATOM 73 CA MET 72 24.067 15.740 -6.737 1.00 1.00 ATOM 74 CA LEU 73 27.570 16.226 -8.052 1.00 1.00 ATOM 75 CA GLN 74 28.763 19.828 -8.277 1.00 1.00 ATOM 76 CA PRO 75 31.046 21.037 -11.041 1.00 1.00 ATOM 77 CA PHE 76 34.680 20.439 -10.161 1.00 1.00 ATOM 78 CA ASP 77 38.125 20.452 -11.769 1.00 1.00 ATOM 79 CA TYR 78 38.853 16.764 -12.289 1.00 1.00 ATOM 80 CA ASP 79 42.473 15.870 -11.453 1.00 1.00 ATOM 81 CA PRO 80 42.842 19.062 -9.388 1.00 1.00 ATOM 82 CA ASN 81 40.606 17.278 -6.929 1.00 1.00 ATOM 83 CA GLU 82 40.822 13.932 -5.200 1.00 1.00 ATOM 84 CA LYS 83 38.277 11.708 -6.920 1.00 1.00 ATOM 85 CA SER 84 39.486 8.288 -5.820 1.00 1.00 ATOM 86 CA LYS 85 37.638 8.155 -2.539 1.00 1.00 ATOM 87 CA HIS 86 34.041 9.072 -3.085 1.00 1.00 ATOM 88 CA LYS 87 31.295 6.777 -1.831 1.00 1.00 ATOM 89 CA PHE 88 27.676 6.995 -0.802 1.00 1.00 ATOM 90 CA MET 89 26.631 5.181 2.372 1.00 1.00 ATOM 91 CA VAL 90 23.220 3.815 3.144 1.00 1.00 ATOM 92 CA GLN 91 22.642 3.099 6.850 1.00 1.00 ATOM 93 CA THR 92 19.478 1.578 8.232 1.00 1.00 ATOM 94 CA ILE 93 17.805 -0.029 11.213 1.00 1.00 ATOM 95 CA PHE 94 14.371 -1.485 11.999 1.00 1.00 ATOM 96 CA ALA 95 11.982 1.162 13.395 1.00 1.00 ATOM 97 CA PRO 96 10.781 0.698 16.952 1.00 1.00 ATOM 98 CA PRO 97 7.366 -0.452 17.949 1.00 1.00 ATOM 99 CA ASN 98 4.446 1.993 17.818 1.00 1.00 ATOM 100 CA ILE 99 6.485 4.412 15.781 1.00 1.00 ATOM 101 CA SER 100 5.387 6.950 13.277 1.00 1.00 ATOM 102 CA MET 102 6.724 7.124 9.741 1.00 1.00 ATOM 103 CA GLU 103 9.037 10.059 10.489 1.00 1.00 ATOM 104 CA ALA 104 12.777 9.473 10.747 1.00 1.00 ATOM 105 CA VAL 105 14.492 9.877 14.112 1.00 1.00 ATOM 106 CA TRP 106 18.303 10.244 14.557 1.00 1.00 ATOM 107 CA LYS 107 17.701 8.482 17.929 1.00 1.00 ATOM 108 CA GLU 108 17.052 5.149 16.251 1.00 1.00 ATOM 109 CA ALA 109 20.774 4.955 15.434 1.00 1.00 ATOM 110 CA LYS 110 21.894 6.021 18.898 1.00 1.00 ATOM 111 CA PRO 111 19.943 3.797 21.236 1.00 1.00 ATOM 112 CA ASP 112 20.497 0.118 21.946 1.00 1.00 ATOM 113 CA GLU 113 20.461 -2.077 18.844 1.00 1.00 ATOM 114 CA LEU 114 21.835 -2.738 15.374 1.00 1.00 ATOM 115 CA MET 115 22.787 -0.540 12.428 1.00 1.00 ATOM 116 CA ASP 116 23.345 -2.018 8.937 1.00 1.00 ATOM 117 CA SER 117 25.420 -0.286 6.278 1.00 1.00 ATOM 118 CA LYS 118 25.810 -0.499 2.503 1.00 1.00 ATOM 120 CA PRO 119 28.189 2.490 -2.947 1.00 1.00 ATOM 121 CA ARG 120 31.569 3.743 -4.232 1.00 1.00 ATOM 122 CA CYS 121 31.478 6.617 -6.710 1.00 1.00 ATOM 123 CA VAL 122 33.473 5.839 -9.855 1.00 1.00 ATOM 124 CA PHE 123 34.511 8.636 -12.222 1.00 1.00 ATOM 125 CA GLU 124 34.530 7.973 -15.996 1.00 1.00 ATOM 126 CA MET 125 36.369 10.857 -17.596 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:41:08 2002 Date: Wed, 14 Aug 2002 03:41:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 03:12:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_257643_23072 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS007_5 Current information on models submitted in prediction T0160TS007 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1GRW_D # Loading PARENT structure: 1grw (chain: D) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1GRW_D ATOM 5 CA HIS 4 42.600 11.945 -43.763 1.00 1.00 ATOM 6 CA GLU 5 40.244 13.497 -41.234 1.00 1.00 ATOM 7 CA GLN 6 42.173 14.590 -38.112 1.00 1.00 ATOM 8 CA ILE 7 41.307 13.387 -34.634 1.00 1.00 ATOM 9 CA LEU 8 38.643 14.348 -32.192 1.00 1.00 ATOM 10 CA VAL 9 38.352 14.238 -28.442 1.00 1.00 ATOM 11 CA LEU 10 35.180 13.066 -26.707 1.00 1.00 ATOM 12 CA ASP 11 34.017 13.337 -23.084 1.00 1.00 ATOM 13 CA PRO 12 33.808 10.745 -21.798 1.00 1.00 ATOM 14 CA PRO 13 36.743 9.437 -23.896 1.00 1.00 ATOM 15 CA SER 14 36.421 5.654 -23.836 1.00 1.00 ATOM 16 CA ASP 15 32.890 4.655 -23.098 1.00 1.00 ATOM 17 CA LEU 16 29.684 5.814 -21.421 1.00 1.00 ATOM 18 CA LYS 17 28.121 4.173 -18.422 1.00 1.00 ATOM 19 CA PHE 18 24.365 3.973 -17.922 1.00 1.00 ATOM 20 CA LYS 19 23.458 3.597 -14.235 1.00 1.00 ATOM 21 CA GLY 20 20.193 1.796 -13.225 1.00 1.00 ATOM 22 CA PRO 21 17.360 2.089 -12.426 1.00 1.00 ATOM 23 CA PHE 22 16.082 1.792 -16.054 1.00 1.00 ATOM 24 CA THR 23 12.451 2.719 -15.304 1.00 1.00 ATOM 25 CA ASP 24 12.499 6.048 -17.066 1.00 1.00 ATOM 26 CA VAL 25 13.969 7.830 -20.026 1.00 1.00 ATOM 27 CA VAL 26 17.502 8.786 -18.906 1.00 1.00 ATOM 28 CA THR 27 19.330 11.474 -20.922 1.00 1.00 ATOM 29 CA THR 28 23.151 11.397 -21.073 1.00 1.00 ATOM 30 CA ASN 29 25.511 13.868 -22.717 1.00 1.00 ATOM 31 CA LEU 30 28.701 13.363 -24.687 1.00 1.00 ATOM 32 CA LYS 31 30.911 16.274 -25.662 1.00 1.00 ATOM 33 CA LEU 32 32.644 15.962 -29.059 1.00 1.00 ATOM 34 CA GLN 33 35.518 18.347 -29.709 1.00 1.00 ATOM 35 CA ASN 34 37.104 18.906 -33.095 1.00 1.00 ATOM 36 CA PRO 35 40.798 18.987 -32.163 1.00 1.00 ATOM 37 CA SER 36 41.865 19.000 -35.860 1.00 1.00 ATOM 38 CA ASP 37 42.913 22.057 -37.859 1.00 1.00 ATOM 39 CA ARG 38 40.186 21.324 -40.426 1.00 1.00 ATOM 40 CA LYS 39 36.411 21.775 -40.420 1.00 1.00 ATOM 41 CA VAL 40 34.700 18.447 -40.158 1.00 1.00 ATOM 42 CA CYS 41 31.268 17.043 -40.782 1.00 1.00 ATOM 43 CA PHE 42 30.061 14.405 -38.316 1.00 1.00 ATOM 44 CA LYS 43 27.316 11.799 -38.008 1.00 1.00 ATOM 45 CA VAL 44 26.236 9.801 -34.909 1.00 1.00 ATOM 46 CA LYS 45 24.887 6.221 -34.971 1.00 1.00 ATOM 47 CA THR 46 23.808 3.787 -32.206 1.00 1.00 ATOM 48 CA THR 47 23.283 0.026 -32.012 1.00 1.00 ATOM 49 CA ALA 48 19.766 0.228 -30.729 1.00 1.00 ATOM 50 CA PRO 49 17.580 2.793 -32.437 1.00 1.00 ATOM 51 CA ARG 50 14.688 1.356 -30.459 1.00 1.00 ATOM 52 CA ARG 51 16.122 2.197 -27.002 1.00 1.00 ATOM 53 CA TYR 52 18.821 4.759 -27.850 1.00 1.00 ATOM 54 CA CYS 53 18.550 8.194 -29.449 1.00 1.00 ATOM 55 CA VAL 54 21.135 10.911 -30.203 1.00 1.00 ATOM 56 CA ARG 55 20.637 14.604 -30.777 1.00 1.00 ATOM 57 CA PRO 56 21.875 16.203 -32.784 1.00 1.00 ATOM 58 CA ASN 57 22.459 13.179 -35.056 1.00 1.00 ATOM 59 CA SER 58 24.766 15.051 -37.422 1.00 1.00 ATOM 60 CA GLY 59 26.514 18.406 -37.552 1.00 1.00 ATOM 61 CA VAL 60 29.553 20.435 -38.601 1.00 1.00 ATOM 62 CA ILE 61 32.413 21.574 -36.341 1.00 1.00 ATOM 63 CA ASP 62 34.957 24.237 -37.223 1.00 1.00 ATOM 64 CA PRO 63 38.503 23.621 -35.959 1.00 1.00 ATOM 65 CA GLY 64 38.574 23.532 -32.148 1.00 1.00 ATOM 66 CA SER 65 34.727 23.801 -31.974 1.00 1.00 ATOM 67 CA ILE 66 32.741 21.566 -29.699 1.00 1.00 ATOM 68 CA VAL 67 29.300 20.136 -29.544 1.00 1.00 ATOM 69 CA TYR 68 27.370 18.624 -26.611 1.00 1.00 ATOM 70 CA VAL 69 25.309 15.641 -27.758 1.00 1.00 ATOM 71 CA SER 70 22.259 14.285 -25.957 1.00 1.00 ATOM 72 CA VAL 71 22.029 10.541 -25.670 1.00 1.00 ATOM 73 CA MET 72 18.622 9.299 -24.601 1.00 1.00 ATOM 74 CA LEU 73 18.002 5.896 -23.210 1.00 1.00 ATOM 75 CA GLN 74 14.425 4.726 -22.943 1.00 1.00 ATOM 76 CA PRO 75 13.104 2.679 -20.057 1.00 1.00 ATOM 77 CA PHE 76 13.705 -1.064 -20.653 1.00 1.00 ATOM 78 CA ASP 77 13.793 -4.389 -18.764 1.00 1.00 ATOM 79 CA TYR 78 17.355 -5.074 -17.782 1.00 1.00 ATOM 80 CA ASP 79 17.400 -8.870 -17.443 1.00 1.00 ATOM 81 CA PRO 80 15.229 -9.004 -20.556 1.00 1.00 ATOM 82 CA ASN 81 17.414 -7.626 -23.461 1.00 1.00 ATOM 83 CA GLU 82 20.855 -7.620 -25.260 1.00 1.00 ATOM 84 CA LYS 83 22.789 -5.146 -23.044 1.00 1.00 ATOM 85 CA SER 84 26.170 -6.509 -24.195 1.00 1.00 ATOM 86 CA LYS 85 26.534 -5.097 -27.690 1.00 1.00 ATOM 87 CA HIS 86 25.451 -1.446 -27.350 1.00 1.00 ATOM 88 CA LYS 87 27.524 1.502 -28.462 1.00 1.00 ATOM 89 CA PHE 88 27.575 4.993 -29.936 1.00 1.00 ATOM 90 CA MET 89 29.553 5.710 -33.089 1.00 1.00 ATOM 91 CA VAL 90 30.862 9.134 -34.090 1.00 1.00 ATOM 92 CA GLN 91 31.772 9.174 -37.815 1.00 1.00 ATOM 93 CA THR 92 33.520 12.187 -39.402 1.00 1.00 ATOM 94 CA ILE 93 35.246 13.551 -42.512 1.00 1.00 ATOM 95 CA PHE 94 36.814 16.860 -43.580 1.00 1.00 ATOM 96 CA ALA 95 34.165 19.104 -45.126 1.00 1.00 ATOM 97 CA PRO 96 34.726 19.316 -48.909 1.00 1.00 ATOM 98 CA PRO 97 36.214 22.248 -50.701 1.00 1.00 ATOM 99 CA ASN 98 33.664 25.030 -50.695 1.00 1.00 ATOM 100 CA ILE 99 30.855 23.742 -48.533 1.00 1.00 ATOM 101 CA SER 100 28.741 25.773 -46.123 1.00 1.00 ATOM 102 CA MET 102 28.368 24.771 -42.513 1.00 1.00 ATOM 103 CA GLU 103 25.389 22.482 -43.062 1.00 1.00 ATOM 104 CA ALA 104 25.859 18.715 -42.977 1.00 1.00 ATOM 105 CA VAL 105 25.248 16.811 -46.208 1.00 1.00 ATOM 106 CA TRP 106 24.846 13.048 -46.184 1.00 1.00 ATOM 107 CA LYS 107 26.736 13.093 -49.479 1.00 1.00 ATOM 108 CA GLU 108 30.094 13.899 -47.827 1.00 1.00 ATOM 109 CA ALA 109 30.276 10.295 -46.638 1.00 1.00 ATOM 110 CA LYS 110 29.481 8.959 -50.055 1.00 1.00 ATOM 111 CA PRO 111 31.813 10.617 -52.551 1.00 1.00 ATOM 112 CA ASP 112 35.415 9.613 -52.965 1.00 1.00 ATOM 113 CA GLU 113 37.284 10.046 -49.731 1.00 1.00 ATOM 114 CA LEU 114 37.929 9.019 -46.177 1.00 1.00 ATOM 115 CA MET 115 35.651 8.544 -43.210 1.00 1.00 ATOM 116 CA ASP 116 36.922 8.231 -39.649 1.00 1.00 ATOM 117 CA SER 117 35.142 6.526 -36.771 1.00 1.00 ATOM 118 CA LYS 118 35.341 6.437 -32.986 1.00 1.00 ATOM 120 CA PRO 119 31.998 4.672 -27.381 1.00 1.00 ATOM 121 CA ARG 120 30.649 1.388 -25.951 1.00 1.00 ATOM 122 CA CYS 121 27.601 1.705 -23.726 1.00 1.00 ATOM 123 CA VAL 122 28.223 -0.106 -20.398 1.00 1.00 ATOM 124 CA PHE 123 25.294 -0.869 -18.108 1.00 1.00 ATOM 125 CA GLU 124 25.768 -0.522 -14.344 1.00 1.00 ATOM 126 CA MET 125 22.797 -2.272 -12.848 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:44:29 2002 Date: Wed, 14 Aug 2002 03:44:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 03:16:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_295054_23083 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS007_2 Current information on models submitted in prediction T0160TS007 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_2 PIN_295054_23083 6269-7633-6117 08/14/02 03:16:33 casp5@bialko.llnl.gov T0160TS007_3 PIN_265345_23074 6269-7633-6117 08/14/02 03:13:36 casp5@bialko.llnl.gov T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS007_1 PIN_202758_23054 6269-7633-6117 08/14/02 03:07:11 casp5@bialko.llnl.gov T0160TS007_2 PIN_295054_23083 6269-7633-6117 08/14/02 03:16:33 casp5@bialko.llnl.gov T0160TS007_3 PIN_265345_23074 6269-7633-6117 08/14/02 03:13:36 casp5@bialko.llnl.gov T0160TS007_4 PIN_204626_23055 6269-7633-6117 08/14/02 03:07:29 casp5@bialko.llnl.gov T0160TS007_5 PIN_257643_23072 6269-7633-6117 08/14/02 03:12:59 casp5@bialko.llnl.gov T0160SS007_1 PIN_309125_13473 6269-7633-6117 07/22/02 18:19:15 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 T0160 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1GRW_A # Loading PARENT structure: 1grw (chain: A) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1GRW_A ATOM 5 CA HIS 4 20.673 18.403 71.122 1.00 1.00 ATOM 6 CA GLU 5 23.298 17.721 68.499 1.00 1.00 ATOM 7 CA GLN 6 22.790 19.779 65.345 1.00 1.00 ATOM 8 CA ILE 7 22.538 18.705 61.726 1.00 1.00 ATOM 9 CA LEU 8 25.220 17.474 59.451 1.00 1.00 ATOM 10 CA VAL 9 25.286 17.381 55.689 1.00 1.00 ATOM 11 CA LEU 10 26.448 14.363 53.786 1.00 1.00 ATOM 12 CA ASP 11 27.569 13.860 50.172 1.00 1.00 ATOM 13 CA PRO 12 26.012 11.830 48.858 1.00 1.00 ATOM 14 CA PRO 13 22.953 12.974 50.823 1.00 1.00 ATOM 15 CA SER 14 20.460 10.037 50.866 1.00 1.00 ATOM 16 CA ASP 15 22.267 6.905 49.855 1.00 1.00 ATOM 17 CA LEU 16 25.387 5.556 48.219 1.00 1.00 ATOM 18 CA LYS 17 25.342 3.411 45.115 1.00 1.00 ATOM 19 CA PHE 18 27.999 0.757 44.537 1.00 1.00 ATOM 20 CA LYS 19 28.457 -0.233 40.905 1.00 1.00 ATOM 21 CA GLY 20 29.482 -3.753 39.775 1.00 1.00 ATOM 22 CA PRO 21 31.817 -5.427 38.979 1.00 1.00 ATOM 23 CA PHE 22 31.962 -6.886 42.502 1.00 1.00 ATOM 24 CA THR 23 35.001 -9.101 41.996 1.00 1.00 ATOM 25 CA ASP 24 37.390 -6.448 43.274 1.00 1.00 ATOM 26 CA VAL 25 37.397 -4.250 46.351 1.00 1.00 ATOM 27 CA VAL 26 35.950 -0.849 45.518 1.00 1.00 ATOM 28 CA THR 27 36.629 2.146 47.790 1.00 1.00 ATOM 29 CA THR 28 33.999 4.898 47.835 1.00 1.00 ATOM 30 CA ASN 29 34.008 8.238 49.633 1.00 1.00 ATOM 31 CA LEU 30 31.394 10.061 51.667 1.00 1.00 ATOM 32 CA LYS 31 31.765 13.668 52.702 1.00 1.00 ATOM 33 CA LEU 32 30.487 14.501 56.210 1.00 1.00 ATOM 34 CA GLN 33 30.123 18.193 57.043 1.00 1.00 ATOM 35 CA ASN 34 29.339 19.556 60.503 1.00 1.00 ATOM 36 CA PRO 35 26.871 22.303 59.594 1.00 1.00 ATOM 37 CA SER 36 25.990 23.036 63.242 1.00 1.00 ATOM 38 CA ASP 37 27.363 25.707 65.531 1.00 1.00 ATOM 39 CA ARG 38 28.985 23.208 67.933 1.00 1.00 ATOM 40 CA LYS 39 31.840 20.708 67.943 1.00 1.00 ATOM 41 CA VAL 40 30.595 17.157 67.405 1.00 1.00 ATOM 42 CA CYS 41 32.080 13.668 67.840 1.00 1.00 ATOM 43 CA PHE 42 30.911 11.037 65.366 1.00 1.00 ATOM 44 CA LYS 43 31.026 7.278 64.950 1.00 1.00 ATOM 45 CA VAL 44 30.348 5.328 61.769 1.00 1.00 ATOM 46 CA LYS 45 28.768 1.866 61.636 1.00 1.00 ATOM 47 CA THR 46 27.934 -0.589 58.870 1.00 1.00 ATOM 48 CA THR 47 25.542 -3.544 58.590 1.00 1.00 ATOM 49 CA ALA 48 28.210 -5.812 57.150 1.00 1.00 ATOM 50 CA PRO 49 31.581 -5.735 58.879 1.00 1.00 ATOM 51 CA ARG 50 32.854 -8.605 56.677 1.00 1.00 ATOM 52 CA ARG 51 32.224 -6.831 53.346 1.00 1.00 ATOM 53 CA TYR 52 32.081 -3.203 54.473 1.00 1.00 ATOM 54 CA CYS 53 34.694 -0.983 56.071 1.00 1.00 ATOM 55 CA VAL 54 34.787 2.708 56.940 1.00 1.00 ATOM 56 CA ARG 55 37.809 4.846 57.658 1.00 1.00 ATOM 57 CA PRO 56 38.066 6.823 59.748 1.00 1.00 ATOM 58 CA ASN 57 35.401 5.021 61.773 1.00 1.00 ATOM 59 CA SER 58 35.094 7.876 64.280 1.00 1.00 ATOM 60 CA GLY 59 36.363 11.426 64.686 1.00 1.00 ATOM 61 CA VAL 60 35.641 15.003 65.802 1.00 1.00 ATOM 62 CA ILE 61 34.438 17.897 63.620 1.00 1.00 ATOM 63 CA ASP 62 34.612 21.545 64.598 1.00 1.00 ATOM 64 CA PRO 63 31.740 23.757 63.470 1.00 1.00 ATOM 65 CA GLY 64 31.756 23.906 59.649 1.00 1.00 ATOM 66 CA SER 65 34.574 21.341 59.345 1.00 1.00 ATOM 67 CA ILE 66 34.271 18.381 56.978 1.00 1.00 ATOM 68 CA VAL 67 35.817 14.941 56.819 1.00 1.00 ATOM 69 CA TYR 68 36.086 12.579 53.817 1.00 1.00 ATOM 70 CA VAL 69 35.428 8.968 54.723 1.00 1.00 ATOM 71 CA SER 70 36.505 5.949 52.843 1.00 1.00 ATOM 72 CA VAL 71 33.897 3.265 52.527 1.00 1.00 ATOM 73 CA MET 72 35.322 0.061 51.139 1.00 1.00 ATOM 74 CA LEU 73 33.321 -2.822 49.688 1.00 1.00 ATOM 75 CA GLN 74 35.201 -6.105 49.395 1.00 1.00 ATOM 76 CA PRO 75 34.860 -8.391 46.391 1.00 1.00 ATOM 77 CA PHE 76 31.853 -10.719 47.005 1.00 1.00 ATOM 78 CA ASP 77 29.430 -12.904 45.021 1.00 1.00 ATOM 79 CA TYR 78 26.561 -10.541 44.468 1.00 1.00 ATOM 80 CA ASP 79 24.841 -13.162 42.343 1.00 1.00 ATOM 81 CA PRO 80 24.342 -15.429 45.361 1.00 1.00 ATOM 82 CA ASN 81 24.006 -13.165 48.401 1.00 1.00 ATOM 83 CA GLU 82 21.651 -10.777 50.157 1.00 1.00 ATOM 84 CA LYS 83 22.119 -7.179 49.112 1.00 1.00 ATOM 85 CA SER 84 18.859 -5.430 49.947 1.00 1.00 ATOM 86 CA LYS 85 20.029 -4.718 53.521 1.00 1.00 ATOM 87 CA HIS 86 23.262 -2.776 53.694 1.00 1.00 ATOM 88 CA LYS 87 23.556 0.660 55.168 1.00 1.00 ATOM 89 CA PHE 88 26.162 3.016 56.541 1.00 1.00 ATOM 90 CA MET 89 25.193 4.799 59.770 1.00 1.00 ATOM 91 CA VAL 90 26.572 8.144 60.911 1.00 1.00 ATOM 92 CA GLN 91 26.063 8.712 64.646 1.00 1.00 ATOM 93 CA THR 92 27.024 11.928 66.426 1.00 1.00 ATOM 94 CA ILE 93 26.755 14.038 69.534 1.00 1.00 ATOM 95 CA PHE 94 27.896 17.469 70.802 1.00 1.00 ATOM 96 CA ALA 95 31.343 17.105 72.397 1.00 1.00 ATOM 97 CA PRO 96 31.312 17.795 76.144 1.00 1.00 ATOM 98 CA PRO 97 32.779 20.969 77.521 1.00 1.00 ATOM 99 CA ASN 98 36.555 21.193 77.494 1.00 1.00 ATOM 100 CA ILE 99 37.137 17.807 75.973 1.00 1.00 ATOM 101 CA SER 100 40.011 17.080 73.631 1.00 1.00 ATOM 102 CA MET 102 39.648 16.770 69.821 1.00 1.00 ATOM 103 CA GLU 103 39.978 12.963 70.272 1.00 1.00 ATOM 104 CA ALA 104 37.003 10.643 70.154 1.00 1.00 ATOM 105 CA VAL 105 35.767 8.851 73.267 1.00 1.00 ATOM 106 CA TRP 106 33.170 6.112 73.037 1.00 1.00 ATOM 107 CA LYS 107 31.969 7.508 76.376 1.00 1.00 ATOM 108 CA GLU 108 30.412 10.546 74.741 1.00 1.00 ATOM 109 CA ALA 109 27.716 8.145 73.480 1.00 1.00 ATOM 110 CA LYS 110 27.192 6.260 76.724 1.00 1.00 ATOM 111 CA PRO 111 26.781 8.960 79.371 1.00 1.00 ATOM 112 CA ASP 112 23.778 11.160 79.873 1.00 1.00 ATOM 113 CA GLU 113 22.984 12.844 76.587 1.00 1.00 ATOM 114 CA LEU 114 21.634 12.793 73.075 1.00 1.00 ATOM 115 CA MET 115 22.892 10.784 70.129 1.00 1.00 ATOM 116 CA ASP 116 21.739 11.662 66.624 1.00 1.00 ATOM 117 CA SER 117 21.866 9.365 63.618 1.00 1.00 ATOM 118 CA LYS 118 21.669 9.472 59.849 1.00 1.00 ATOM 120 CA PRO 119 22.800 6.082 54.258 1.00 1.00 ATOM 121 CA ARG 120 21.491 2.842 52.726 1.00 1.00 ATOM 122 CA CYS 121 23.755 1.095 50.257 1.00 1.00 ATOM 123 CA VAL 122 22.222 0.410 46.833 1.00 1.00 ATOM 124 CA PHE 123 23.768 -2.060 44.470 1.00 1.00 ATOM 125 CA GLU 124 23.912 -1.378 40.723 1.00 1.00 ATOM 126 CA MET 125 24.784 -4.665 39.047 1.00 1.00 TER END ################################ # # # END # # # ################################