From mailer@bialko.llnl.gov Wed Jun 26 12:01:08 2002 Date: Wed, 26 Jun 2002 12:01:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:34:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_457666_10962 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141SS007_1 Current information on models submitted in prediction T0141SS007 MODEL_INDEX PIN CODE DATE E-mail T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0141 MODEL_INDEX PIN CODE DATE E-mail T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0141 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: 187 # Number of residues with nonzero confidence: 187 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0141 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-8537.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-813//target-align-813.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 58.5336 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-8537.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc73.7283/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 Jun 24 16:18:20 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-813//target-align-813.a2m METHOD METHOD guide seq name: seed-seqs-8537.a2m(1), 187 bases, E7113F6F checksum. METHOD ###end 0 MODEL 1 M C 0.681 L C 0.562 L C 0.569 D C 0.59 E C 0.575 G C 0.537 W C 0.454 L C 0.359 A C 0.37 E C 0.366 A E 0.348 R E 0.388 R E 0.399 V C 0.508 P C 0.615 S C 0.699 P C 0.692 H C 0.665 Y C 0.619 D C 0.635 C C 0.617 R C 0.677 P C 0.694 D C 0.672 D C 0.642 E C 0.641 N C 0.632 P C 0.532 S E 0.417 L E 0.657 L E 0.736 V E 0.746 V E 0.707 H E 0.568 N C 0.477 I C 0.561 S C 0.603 L C 0.632 P C 0.662 P C 0.552 G C 0.5 E C 0.454 F C 0.418 G C 0.429 G C 0.46 P H 0.41 W H 0.403 I H 0.439 D H 0.432 A H 0.415 L H 0.382 F C 0.363 T C 0.466 G C 0.53 T C 0.542 I C 0.557 D C 0.645 P C 0.589 N C 0.541 A C 0.464 H C 0.428 P H 0.472 Y H 0.461 F H 0.474 A H 0.438 G H 0.424 I C 0.466 A C 0.568 H C 0.548 L C 0.548 R C 0.498 V C 0.412 S E 0.416 A E 0.497 H E 0.547 C E 0.653 L E 0.668 I E 0.622 R C 0.417 R C 0.6 D C 0.682 G C 0.664 E C 0.425 I E 0.598 V E 0.604 Q E 0.592 Y E 0.555 V E 0.442 P C 0.524 F H 0.511 D H 0.553 K H 0.605 R H 0.576 A H 0.584 W H 0.554 H H 0.515 A H 0.431 G C 0.499 V C 0.504 S C 0.485 S C 0.485 Y C 0.504 Q C 0.537 G C 0.602 R C 0.539 E C 0.53 R C 0.513 C C 0.514 N C 0.615 D C 0.547 F C 0.457 S E 0.478 I E 0.553 G E 0.571 I E 0.624 E E 0.623 L E 0.62 E E 0.543 G C 0.536 T C 0.67 D C 0.702 T C 0.672 L C 0.654 A C 0.657 Y C 0.617 T C 0.622 D H 0.699 A H 0.746 Q H 0.75 Y H 0.771 Q H 0.785 Q H 0.791 L H 0.8 A H 0.808 A H 0.807 V H 0.806 T H 0.805 N H 0.812 A H 0.799 L H 0.781 I H 0.754 T H 0.719 R H 0.684 Y H 0.444 P C 0.66 A C 0.652 I C 0.631 A H 0.454 N H 0.494 N H 0.462 M E 0.339 T E 0.381 G C 0.466 H C 0.504 C C 0.514 N C 0.53 I C 0.562 A C 0.67 P C 0.667 E C 0.62 R C 0.601 K C 0.538 T C 0.59 D C 0.78 P C 0.747 G C 0.705 P C 0.656 S C 0.603 F C 0.62 D C 0.655 W H 0.683 A H 0.715 R H 0.723 F H 0.716 R H 0.727 A H 0.717 L H 0.659 V H 0.567 T C 0.507 P C 0.567 S C 0.568 S C 0.594 H C 0.616 K C 0.685 E C 0.733 M C 0.758 T C 0.853 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:31:18 2002 Date: Thu, 25 Jul 2002 08:31:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:03:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_158316_14535 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS007_1 Current information on models submitted in prediction T0141TS007 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 casp5@bialko.llnl.gov T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1LBA # Loading PARENT structure: 1lba (chain: ) # Number of residues in PARENT structure: 146 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue W 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue P 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue T 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue P 167 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue W 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue R 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue A 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue T 179 # IMPORTANT NOTE! Not complete main chain atoms for residue P 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 145 # Total number of atoms in model: 145 # Number of atoms with 1.0 occupancy: 145 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 145 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1LBA ATOM 6 CA LEU 2 -16.262 8.960 0.488 1.00 1.00 ATOM 7 CA LEU 3 -15.640 7.608 4.037 1.00 1.00 ATOM 8 CA ASP 4 -13.286 4.709 4.915 1.00 1.00 ATOM 9 CA GLU 5 -14.591 1.168 5.294 1.00 1.00 ATOM 10 CA GLY 6 -12.298 0.323 8.207 1.00 1.00 ATOM 11 CA TRP 7 -9.523 1.872 10.366 1.00 1.00 ATOM 12 CA LEU 8 -6.751 -0.584 10.717 1.00 1.00 ATOM 13 CA ALA 9 -4.127 1.991 11.685 1.00 1.00 ATOM 14 CA LEU 30 -3.237 5.455 12.971 1.00 1.00 ATOM 15 CA LEU 31 -0.097 6.671 11.159 1.00 1.00 ATOM 16 CA VAL 32 2.148 9.377 12.581 1.00 1.00 ATOM 17 CA VAL 33 4.032 11.792 10.267 1.00 1.00 ATOM 18 CA HIS 34 5.963 15.089 10.565 1.00 1.00 ATOM 19 CA ASN 35 5.535 18.023 8.084 1.00 1.00 ATOM 20 CA ILE 36 9.324 18.161 7.392 1.00 1.00 ATOM 21 CA SER 37 9.657 21.790 8.472 1.00 1.00 ATOM 22 CA LEU 38 12.219 23.628 10.564 1.00 1.00 ATOM 23 CA PRO 39 11.857 24.977 14.191 1.00 1.00 ATOM 24 CA PRO 40 11.108 28.546 13.087 1.00 1.00 ATOM 25 CA GLY 41 8.233 27.361 10.991 1.00 1.00 ATOM 26 CA GLU 42 5.347 27.927 13.258 1.00 1.00 ATOM 27 CA PHE 43 2.706 26.631 10.852 1.00 1.00 ATOM 28 CA GLY 44 -0.647 24.736 11.011 1.00 1.00 ATOM 29 CA GLY 45 -3.471 23.476 8.696 1.00 1.00 ATOM 30 CA PRO 46 -4.052 26.863 6.960 1.00 1.00 ATOM 31 CA TRP 47 -0.545 26.665 5.446 1.00 1.00 ATOM 32 CA ILE 48 -0.152 22.858 4.921 1.00 1.00 ATOM 33 CA ASP 49 -3.648 22.709 3.247 1.00 1.00 ATOM 34 CA ALA 50 -2.441 25.465 0.887 1.00 1.00 ATOM 35 CA TYR 63 0.812 23.601 0.170 1.00 1.00 ATOM 36 CA PHE 64 -0.990 20.335 -0.592 1.00 1.00 ATOM 37 CA ALA 65 -3.474 21.951 -2.945 1.00 1.00 ATOM 38 CA GLY 66 -0.655 23.776 -4.834 1.00 1.00 ATOM 39 CA ILE 67 0.737 20.214 -5.348 1.00 1.00 ATOM 40 CA ALA 68 -2.562 19.073 -6.972 1.00 1.00 ATOM 41 CA HIS 69 -4.481 17.344 -4.163 1.00 1.00 ATOM 42 CA LEU 70 -7.972 18.199 -3.136 1.00 1.00 ATOM 43 CA ARG 71 -7.299 19.080 0.538 1.00 1.00 ATOM 44 CA VAL 72 -4.867 18.539 3.394 1.00 1.00 ATOM 45 CA SER 73 -4.098 14.766 3.425 1.00 1.00 ATOM 46 CA ALA 74 -3.971 14.468 7.253 1.00 1.00 ATOM 47 CA HIS 75 -6.854 14.042 9.624 1.00 1.00 ATOM 48 CA CYS 76 -5.005 15.920 12.485 1.00 1.00 ATOM 49 CA LEU 77 -2.147 18.518 12.691 1.00 1.00 ATOM 50 CA ILE 78 -0.390 19.215 16.004 1.00 1.00 ATOM 51 CA ARG 79 1.128 22.756 15.923 1.00 1.00 ATOM 52 CA ARG 80 4.337 23.464 17.905 1.00 1.00 ATOM 53 CA ASP 81 2.565 25.007 20.886 1.00 1.00 ATOM 54 CA GLY 82 0.567 21.686 21.260 1.00 1.00 ATOM 55 CA GLU 83 -2.718 22.900 19.568 1.00 1.00 ATOM 56 CA ILE 84 -4.287 20.025 17.611 1.00 1.00 ATOM 57 CA VAL 85 -6.220 21.199 14.538 1.00 1.00 ATOM 58 CA GLN 86 -8.430 19.025 12.423 1.00 1.00 ATOM 59 CA TYR 87 -7.684 18.499 8.737 1.00 1.00 ATOM 60 CA VAL 88 -9.786 16.087 6.717 1.00 1.00 ATOM 61 CA PRO 89 -12.895 14.716 8.369 1.00 1.00 ATOM 62 CA PHE 90 -11.975 12.050 10.864 1.00 1.00 ATOM 63 CA ASP 91 -13.927 9.442 8.868 1.00 1.00 ATOM 64 CA LYS 92 -12.710 10.258 5.308 1.00 1.00 ATOM 65 CA ARG 93 -9.984 8.803 3.101 1.00 1.00 ATOM 66 CA ALA 94 -7.023 11.172 3.265 1.00 1.00 ATOM 67 CA TRP 95 -3.705 11.242 1.351 1.00 1.00 ATOM 68 CA HIS 96 -0.788 10.589 3.707 1.00 1.00 ATOM 69 CA ALA 97 0.481 7.044 3.308 1.00 1.00 ATOM 70 CA GLY 98 -0.079 5.582 -0.173 1.00 1.00 ATOM 71 CA VAL 99 -1.554 2.176 -0.287 1.00 1.00 ATOM 72 CA SER 100 -2.932 2.864 3.185 1.00 1.00 ATOM 73 CA SER 101 -5.136 5.836 2.659 1.00 1.00 ATOM 74 CA TYR 102 -8.089 3.526 2.357 1.00 1.00 ATOM 75 CA GLN 103 -8.031 2.263 5.960 1.00 1.00 ATOM 76 CA GLY 104 -6.205 4.665 8.355 1.00 1.00 ATOM 77 CA ARG 105 -5.939 7.974 10.284 1.00 1.00 ATOM 78 CA GLU 106 -2.974 10.212 9.477 1.00 1.00 ATOM 79 CA ARG 107 -1.599 12.466 12.211 1.00 1.00 ATOM 80 CA CYS 108 1.005 15.143 11.511 1.00 1.00 ATOM 81 CA PHE 111 3.572 16.835 13.783 1.00 1.00 ATOM 82 CA SER 112 4.878 20.264 12.679 1.00 1.00 ATOM 83 CA ILE 113 8.650 19.903 12.513 1.00 1.00 ATOM 84 CA GLY 114 10.998 17.136 11.405 1.00 1.00 ATOM 85 CA ILE 115 14.069 18.798 9.872 1.00 1.00 ATOM 86 CA GLU 116 16.851 21.071 10.906 1.00 1.00 ATOM 87 CA LEU 117 18.326 24.052 9.025 1.00 1.00 ATOM 88 CA GLU 118 20.564 21.777 6.975 1.00 1.00 ATOM 89 CA GLY 119 17.501 19.937 5.636 1.00 1.00 ATOM 90 CA THR 120 18.342 16.724 7.533 1.00 1.00 ATOM 91 CA ASP 121 15.701 14.784 9.514 1.00 1.00 ATOM 92 CA THR 122 15.726 15.739 13.197 1.00 1.00 ATOM 93 CA LEU 123 13.280 14.950 16.067 1.00 1.00 ATOM 94 CA ALA 124 12.865 18.578 17.041 1.00 1.00 ATOM 95 CA TYR 125 9.337 18.371 18.413 1.00 1.00 ATOM 96 CA THR 126 8.392 20.419 21.445 1.00 1.00 ATOM 97 CA ASP 127 7.346 18.901 24.934 1.00 1.00 ATOM 98 CA ALA 128 3.900 20.339 24.362 1.00 1.00 ATOM 99 CA GLN 129 3.468 18.665 20.940 1.00 1.00 ATOM 100 CA TYR 130 4.413 15.277 22.364 1.00 1.00 ATOM 101 CA GLN 131 1.996 15.692 25.293 1.00 1.00 ATOM 102 CA GLN 132 -0.903 16.503 22.982 1.00 1.00 ATOM 103 CA LEU 133 0.068 13.646 20.689 1.00 1.00 ATOM 104 CA ALA 134 -0.034 11.058 23.495 1.00 1.00 ATOM 105 CA ALA 135 -3.675 11.967 24.602 1.00 1.00 ATOM 106 CA VAL 136 -4.957 12.199 20.951 1.00 1.00 ATOM 107 CA THR 137 -3.542 8.719 20.299 1.00 1.00 ATOM 108 CA ASN 138 -4.920 7.131 23.557 1.00 1.00 ATOM 109 CA ALA 139 -8.287 8.646 22.469 1.00 1.00 ATOM 110 CA LEU 140 -7.954 7.349 18.911 1.00 1.00 ATOM 111 CA ILE 141 -6.793 3.844 19.793 1.00 1.00 ATOM 112 CA THR 142 -9.748 3.574 22.066 1.00 1.00 ATOM 113 CA ARG 143 -12.354 4.639 19.625 1.00 1.00 ATOM 114 CA TYR 144 -11.160 2.603 16.624 1.00 1.00 ATOM 115 CA PRO 145 -11.457 -0.782 18.006 1.00 1.00 ATOM 116 CA ALA 146 -8.564 -2.954 16.881 1.00 1.00 ATOM 117 CA ILE 147 -6.524 -0.143 15.153 1.00 1.00 ATOM 118 CA ALA 148 -2.739 -0.390 15.399 1.00 1.00 ATOM 119 CA MET 151 -0.387 2.573 15.961 1.00 1.00 ATOM 120 CA THR 152 2.243 3.074 13.171 1.00 1.00 ATOM 121 CA GLY 153 5.075 5.319 12.093 1.00 1.00 ATOM 122 CA HIS 154 5.159 6.053 8.313 1.00 1.00 ATOM 123 CA CYS 155 8.840 4.894 8.097 1.00 1.00 ATOM 124 CA ASN 156 7.802 1.315 8.992 1.00 1.00 ATOM 125 CA ILE 157 5.921 0.879 5.735 1.00 1.00 ATOM 126 CA ALA 158 7.680 3.260 3.224 1.00 1.00 ATOM 127 CA PRO 159 11.380 4.064 2.494 1.00 1.00 ATOM 128 CA GLU 160 11.193 7.413 4.402 1.00 1.00 ATOM 129 CA ARG 161 12.625 8.909 7.619 1.00 1.00 ATOM 130 CA LYS 162 9.170 10.384 8.445 1.00 1.00 ATOM 131 CA THR 163 8.235 11.003 11.342 1.00 1.00 ATOM 132 CA ASP 164 12.002 11.479 12.200 1.00 1.00 ATOM 133 CA PRO 165 11.841 9.689 15.554 1.00 1.00 ATOM 134 CA GLY 166 11.533 6.223 16.889 1.00 1.00 ATOM 135 CA PRO 167 7.785 5.841 17.656 1.00 1.00 ATOM 136 CA SER 168 8.062 2.664 19.778 1.00 1.00 ATOM 137 CA PHE 169 10.726 4.132 22.137 1.00 1.00 ATOM 138 CA ASP 170 8.811 7.379 22.685 1.00 1.00 ATOM 139 CA TRP 171 5.403 5.582 23.139 1.00 1.00 ATOM 140 CA ALA 172 6.999 3.201 25.658 1.00 1.00 ATOM 141 CA ARG 173 9.730 5.059 27.529 1.00 1.00 ATOM 142 CA PHE 174 8.781 8.670 26.785 1.00 1.00 ATOM 143 CA ARG 175 12.267 9.165 25.266 1.00 1.00 ATOM 144 CA ALA 176 12.453 11.172 22.006 1.00 1.00 ATOM 145 CA LEU 177 15.409 10.234 19.776 1.00 1.00 ATOM 146 CA VAL 178 16.074 11.151 16.171 1.00 1.00 ATOM 147 CA THR 179 15.499 8.128 13.935 1.00 1.00 ATOM 148 CA PRO 180 14.677 6.793 10.549 1.00 1.00 ATOM 149 CA SER 181 13.445 3.517 12.045 1.00 1.00 ATOM 150 CA SER 182 11.262 2.617 15.036 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:31:29 2002 Date: Thu, 25 Jul 2002 08:31:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:03:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_158513_14536 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS007_2 Current information on models submitted in prediction T0141TS007 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1ARO_L # Loading PARENT structure: 1aro (chain: L) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue N 149 # IMPORTANT NOTE! Not complete main chain atoms for residue N 150 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue P 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue T 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue W 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue R 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue A 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0141 # Total number of residues in target: 187 # 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 T0141 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1ARO_L ATOM 1009 CA GLU 26 19.205 72.198 24.503 1.00 1.00 ATOM 1010 CA ASN 27 15.476 72.500 25.260 1.00 1.00 ATOM 1011 CA PRO 28 12.027 70.921 24.873 1.00 1.00 ATOM 1012 CA SER 29 9.347 73.264 23.504 1.00 1.00 ATOM 1013 CA LEU 30 6.845 70.935 21.791 1.00 1.00 ATOM 1014 CA LEU 31 5.503 67.360 22.127 1.00 1.00 ATOM 1015 CA VAL 32 4.278 65.886 18.815 1.00 1.00 ATOM 1016 CA VAL 33 1.890 63.002 18.170 1.00 1.00 ATOM 1017 CA HIS 34 2.396 61.172 14.825 1.00 1.00 ATOM 1018 CA ASN 35 0.955 57.768 13.669 1.00 1.00 ATOM 1019 CA ILE 36 2.265 54.788 11.755 1.00 1.00 ATOM 1020 CA SER 37 0.263 53.973 8.633 1.00 1.00 ATOM 1021 CA LEU 38 -0.423 50.488 9.993 1.00 1.00 ATOM 1022 CA PRO 39 -3.772 48.670 10.052 1.00 1.00 ATOM 1023 CA PRO 40 -5.655 47.274 13.129 1.00 1.00 ATOM 1024 CA GLY 41 -4.284 43.784 12.427 1.00 1.00 ATOM 1025 CA GLU 42 -0.638 44.780 12.900 1.00 1.00 ATOM 1026 CA PHE 43 0.473 44.611 16.540 1.00 1.00 ATOM 1027 CA GLY 44 3.776 46.354 15.758 1.00 1.00 ATOM 1028 CA GLY 45 6.026 48.076 18.236 1.00 1.00 ATOM 1029 CA PRO 46 9.393 49.658 18.742 1.00 1.00 ATOM 1030 CA TRP 47 11.107 46.525 17.423 1.00 1.00 ATOM 1031 CA ASN 59 9.223 46.615 14.137 1.00 1.00 ATOM 1032 CA ALA 60 9.153 50.468 13.907 1.00 1.00 ATOM 1033 CA HIS 61 12.914 50.429 14.298 1.00 1.00 ATOM 1034 CA PRO 62 13.331 47.963 11.456 1.00 1.00 ATOM 1035 CA TYR 63 11.474 50.347 9.117 1.00 1.00 ATOM 1036 CA PHE 64 13.826 53.149 10.223 1.00 1.00 ATOM 1037 CA ALA 65 16.998 51.071 9.916 1.00 1.00 ATOM 1038 CA GLY 66 15.782 50.627 6.336 1.00 1.00 ATOM 1039 CA ILE 67 14.964 54.388 6.310 1.00 1.00 ATOM 1040 CA ALA 68 18.776 54.484 7.053 1.00 1.00 ATOM 1041 CA HIS 69 18.995 55.318 10.790 1.00 1.00 ATOM 1042 CA LEU 70 21.153 54.191 13.759 1.00 1.00 ATOM 1043 CA ARG 71 17.963 54.052 15.888 1.00 1.00 ATOM 1044 CA VAL 72 14.199 54.639 16.012 1.00 1.00 ATOM 1045 CA SER 73 13.302 58.305 15.544 1.00 1.00 ATOM 1046 CA ALA 74 10.633 58.461 18.199 1.00 1.00 ATOM 1047 CA HIS 75 10.888 58.714 22.002 1.00 1.00 ATOM 1048 CA CYS 76 7.847 56.756 23.062 1.00 1.00 ATOM 1049 CA LEU 77 5.509 54.594 20.984 1.00 1.00 ATOM 1050 CA ILE 78 2.124 53.227 22.133 1.00 1.00 ATOM 1051 CA ARG 79 1.163 49.659 21.154 1.00 1.00 ATOM 1052 CA ARG 80 -2.432 48.776 20.113 1.00 1.00 ATOM 1053 CA ASP 81 -2.173 46.921 23.401 1.00 1.00 ATOM 1054 CA GLY 82 -1.809 49.962 25.667 1.00 1.00 ATOM 1055 CA GLU 83 1.855 49.404 26.366 1.00 1.00 ATOM 1056 CA ILE 84 4.124 52.446 26.220 1.00 1.00 ATOM 1057 CA VAL 85 7.468 51.298 24.851 1.00 1.00 ATOM 1058 CA GLN 86 10.360 53.686 25.384 1.00 1.00 ATOM 1059 CA TYR 87 12.339 54.627 22.255 1.00 1.00 ATOM 1060 CA VAL 88 15.288 57.041 22.130 1.00 1.00 ATOM 1061 CA PRO 89 16.323 58.623 25.387 1.00 1.00 ATOM 1062 CA PHE 90 13.704 61.172 26.533 1.00 1.00 ATOM 1063 CA ASP 91 16.167 64.047 26.284 1.00 1.00 ATOM 1064 CA LYS 92 17.647 63.358 22.890 1.00 1.00 ATOM 1065 CA ARG 93 17.633 64.951 19.490 1.00 1.00 ATOM 1066 CA ALA 94 15.308 62.595 17.636 1.00 1.00 ATOM 1067 CA TRP 95 14.213 62.036 14.060 1.00 1.00 ATOM 1068 CA HIS 96 10.468 62.492 14.090 1.00 1.00 ATOM 1069 CA ALA 97 9.155 66.010 13.200 1.00 1.00 ATOM 1070 CA GLU 106 11.564 67.765 10.879 1.00 1.00 ATOM 1071 CA ARG 107 12.995 71.188 11.411 1.00 1.00 ATOM 1072 CA CYS 108 11.746 70.435 14.914 1.00 1.00 ATOM 1073 CA ASN 109 13.813 67.429 15.961 1.00 1.00 ATOM 1074 CA ASP 110 16.295 69.602 17.794 1.00 1.00 ATOM 1075 CA PHE 111 13.682 70.501 20.385 1.00 1.00 ATOM 1076 CA SER 112 10.697 68.236 21.066 1.00 1.00 ATOM 1077 CA ILE 113 9.463 64.773 22.008 1.00 1.00 ATOM 1078 CA GLY 114 7.724 62.631 19.394 1.00 1.00 ATOM 1079 CA ILE 115 5.093 60.000 20.190 1.00 1.00 ATOM 1080 CA GLU 116 4.002 57.468 17.496 1.00 1.00 ATOM 1081 CA LEU 117 0.543 55.832 18.056 1.00 1.00 ATOM 1082 CA GLU 118 0.412 52.310 16.642 1.00 1.00 ATOM 1083 CA GLY 119 -2.377 52.346 14.070 1.00 1.00 ATOM 1084 CA THR 120 -4.002 55.122 12.014 1.00 1.00 ATOM 1091 CA ASP 121 -6.430 57.882 7.669 1.00 1.00 ATOM 1092 CA THR 122 -8.844 56.499 10.288 1.00 1.00 ATOM 1093 CA LEU 123 -8.686 57.380 14.017 1.00 1.00 ATOM 1094 CA ALA 124 -9.109 53.743 15.041 1.00 1.00 ATOM 1095 CA TYR 125 -6.868 53.890 18.099 1.00 1.00 ATOM 1096 CA THR 126 -7.941 51.785 21.071 1.00 1.00 ATOM 1097 CA ASP 127 -9.585 53.471 24.078 1.00 1.00 ATOM 1098 CA ALA 128 -7.002 51.665 26.217 1.00 1.00 ATOM 1099 CA GLN 129 -4.395 53.176 23.965 1.00 1.00 ATOM 1100 CA TYR 130 -5.850 56.634 24.390 1.00 1.00 ATOM 1101 CA GLN 131 -5.720 56.598 28.200 1.00 1.00 ATOM 1102 CA GLN 132 -2.069 55.711 27.903 1.00 1.00 ATOM 1103 CA LEU 133 -1.451 58.724 25.768 1.00 1.00 ATOM 1104 CA ALA 134 -3.504 60.821 28.253 1.00 1.00 ATOM 1105 CA ALA 135 -1.409 60.111 31.377 1.00 1.00 ATOM 1106 CA VAL 136 1.900 60.265 29.425 1.00 1.00 ATOM 1107 CA THR 137 0.924 63.681 28.062 1.00 1.00 ATOM 1108 CA ASN 138 -0.004 65.165 31.443 1.00 1.00 ATOM 1109 CA ALA 139 3.346 63.941 32.840 1.00 1.00 ATOM 1110 CA LEU 140 5.425 65.362 29.989 1.00 1.00 ATOM 1111 CA ILE 141 3.567 68.727 29.926 1.00 1.00 ATOM 1112 CA THR 142 4.138 69.035 33.690 1.00 1.00 ATOM 1113 CA ARG 143 7.816 68.076 33.556 1.00 1.00 ATOM 1114 CA TYR 144 8.569 70.593 30.790 1.00 1.00 ATOM 1115 CA ILE 147 6.843 73.805 31.895 1.00 1.00 ATOM 1116 CA ALA 148 6.021 75.785 28.784 1.00 1.00 ATOM 1117 CA ASN 149 6.138 72.782 26.515 1.00 1.00 ATOM 1118 CA ASN 150 3.304 72.740 23.999 1.00 1.00 ATOM 1119 CA MET 151 1.195 69.807 22.709 1.00 1.00 ATOM 1120 CA THR 152 1.138 69.643 18.840 1.00 1.00 ATOM 1121 CA GLY 153 0.364 67.368 15.857 1.00 1.00 ATOM 1122 CA HIS 154 2.379 66.611 12.735 1.00 1.00 ATOM 1123 CA CYS 155 -0.525 67.334 10.376 1.00 1.00 ATOM 1124 CA ASN 156 -0.217 70.834 11.867 1.00 1.00 ATOM 1125 CA ILE 157 3.104 71.600 10.187 1.00 1.00 ATOM 1126 CA ALA 158 3.115 68.905 7.521 1.00 1.00 ATOM 1127 CA PRO 159 1.157 68.104 4.316 1.00 1.00 ATOM 1128 CA LYS 162 0.618 64.630 5.848 1.00 1.00 ATOM 1129 CA THR 163 -2.196 63.022 7.882 1.00 1.00 ATOM 1130 CA ASP 164 -0.481 62.267 11.192 1.00 1.00 ATOM 1131 CA PRO 165 -1.649 61.563 13.822 1.00 1.00 ATOM 1132 CA SER 168 -4.637 61.323 11.420 1.00 1.00 ATOM 1133 CA PHE 169 -7.118 62.668 14.034 1.00 1.00 ATOM 1134 CA ASP 170 -8.251 65.988 15.442 1.00 1.00 ATOM 1135 CA TRP 171 -6.092 66.248 18.552 1.00 1.00 ATOM 1136 CA ALA 172 -7.327 69.415 20.284 1.00 1.00 ATOM 1137 CA ARG 173 -10.786 67.933 20.235 1.00 1.00 ATOM 1138 CA PHE 174 -9.663 64.655 21.732 1.00 1.00 ATOM 1139 CA ARG 175 -7.605 66.515 24.257 1.00 1.00 ATOM 1140 CA ALA 176 -10.214 69.043 25.374 1.00 1.00 ATOM 1141 CA LEU 177 -13.125 66.604 25.018 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:31:39 2002 Date: Thu, 25 Jul 2002 08:31:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:04:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_158889_14537 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS007_4 Current information on models submitted in prediction T0141TS007 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JTH_A # Loading PARENT structure: 1jth (chain: A) # Number of residues in PARENT structure: 62 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 52 # Total number of atoms in model: 52 # Number of atoms with 1.0 occupancy: 52 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 52 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JTH_A ATOM 14 CA PHE 90 14.131 -2.804 -22.923 1.00 1.00 ATOM 15 CA ASP 91 13.674 -6.080 -21.056 1.00 1.00 ATOM 16 CA LYS 92 17.464 -6.058 -21.141 1.00 1.00 ATOM 17 CA ARG 93 17.659 -2.691 -19.362 1.00 1.00 ATOM 18 CA ALA 94 14.958 -3.471 -16.804 1.00 1.00 ATOM 19 CA TRP 95 16.853 -6.654 -15.949 1.00 1.00 ATOM 20 CA HIS 96 20.092 -4.706 -15.642 1.00 1.00 ATOM 21 CA ALA 97 18.518 -2.181 -13.269 1.00 1.00 ATOM 22 CA GLY 98 16.893 -4.939 -11.270 1.00 1.00 ATOM 23 CA VAL 99 20.258 -6.655 -10.884 1.00 1.00 ATOM 24 CA SER 100 21.866 -3.359 -9.818 1.00 1.00 ATOM 25 CA SER 101 19.074 -2.734 -7.306 1.00 1.00 ATOM 26 CA TYR 102 19.687 -6.179 -5.853 1.00 1.00 ATOM 27 CA GLN 103 23.464 -5.789 -5.597 1.00 1.00 ATOM 28 CA GLY 104 22.892 -2.393 -3.955 1.00 1.00 ATOM 29 CA ARG 105 20.526 -3.970 -1.463 1.00 1.00 ATOM 30 CA GLU 106 23.041 -6.717 -0.657 1.00 1.00 ATOM 31 CA ARG 107 25.813 -4.161 -0.174 1.00 1.00 ATOM 32 CA CYS 108 23.490 -2.235 2.157 1.00 1.00 ATOM 33 CA ASN 109 22.866 -5.435 4.109 1.00 1.00 ATOM 34 CA ASP 110 26.639 -5.833 4.581 1.00 1.00 ATOM 35 CA PHE 111 27.098 -2.265 5.764 1.00 1.00 ATOM 36 CA SER 112 24.166 -2.529 8.148 1.00 1.00 ATOM 37 CA ILE 113 25.516 -5.762 9.597 1.00 1.00 ATOM 38 CA GLY 114 28.890 -4.224 10.476 1.00 1.00 ATOM 39 CA ILE 115 27.087 -1.142 11.781 1.00 1.00 ATOM 40 CA GLU 116 24.998 -3.309 14.117 1.00 1.00 ATOM 41 CA LEU 117 28.097 -5.046 15.465 1.00 1.00 ATOM 42 CA GLU 118 29.658 -1.655 16.225 1.00 1.00 ATOM 43 CA GLY 119 26.375 -0.445 17.686 1.00 1.00 ATOM 44 CA THR 120 26.283 -3.448 19.997 1.00 1.00 ATOM 45 CA ASP 121 29.915 -3.017 21.091 1.00 1.00 ATOM 46 CA THR 122 29.308 0.698 21.690 1.00 1.00 ATOM 47 CA LEU 123 26.195 0.233 23.781 1.00 1.00 ATOM 48 CA ALA 124 27.934 -2.422 25.866 1.00 1.00 ATOM 49 CA TYR 125 30.871 -0.066 26.422 1.00 1.00 ATOM 50 CA THR 126 28.539 2.788 27.399 1.00 1.00 ATOM 51 CA ASP 127 26.773 0.563 29.937 1.00 1.00 ATOM 52 CA ALA 128 30.157 -0.391 31.389 1.00 1.00 ATOM 53 CA GLN 129 31.251 3.236 31.371 1.00 1.00 ATOM 54 CA TYR 130 28.058 4.167 33.175 1.00 1.00 ATOM 55 CA GLN 131 28.935 1.877 36.049 1.00 1.00 ATOM 56 CA GLN 132 32.468 3.211 36.261 1.00 1.00 ATOM 57 CA LEU 133 31.252 6.782 36.372 1.00 1.00 ATOM 58 CA ALA 134 28.941 5.852 39.259 1.00 1.00 ATOM 59 CA ALA 135 31.932 4.515 41.193 1.00 1.00 ATOM 60 CA VAL 136 33.948 7.574 40.250 1.00 1.00 ATOM 61 CA THR 137 31.162 9.775 41.655 1.00 1.00 ATOM 62 CA ASN 138 30.861 7.800 44.912 1.00 1.00 ATOM 63 CA ALA 139 34.622 7.960 45.220 1.00 1.00 ATOM 64 CA LEU 140 34.780 11.719 44.828 1.00 1.00 ATOM 65 CA ILE 141 32.131 11.990 47.543 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:31:50 2002 Date: Thu, 25 Jul 2002 08:31:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:04:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_160457_14538 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS007_3 Current information on models submitted in prediction T0141TS007 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_3 PIN_160457_14538 6269-7633-6117 07/25/02 08:04:18 casp5@bialko.llnl.gov T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_3 PIN_160457_14538 6269-7633-6117 07/25/02 08:04:18 casp5@bialko.llnl.gov T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QPP_A # Loading PARENT structure: 1qpp (chain: A) # Number of residues in PARENT structure: 207 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 53 # Total number of atoms in model: 53 # Number of atoms with 1.0 occupancy: 53 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 53 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QPP_A ATOM 145 CA ASN 59 98.345 19.041 22.275 1.00 1.00 ATOM 146 CA ALA 60 101.272 19.586 19.889 1.00 1.00 ATOM 147 CA HIS 61 99.971 16.945 17.432 1.00 1.00 ATOM 148 CA PRO 62 98.183 17.588 14.148 1.00 1.00 ATOM 149 CA TYR 63 95.120 15.748 15.473 1.00 1.00 ATOM 150 CA PHE 64 92.083 16.421 17.651 1.00 1.00 ATOM 151 CA ALA 65 92.475 14.384 20.893 1.00 1.00 ATOM 152 CA GLY 66 89.392 13.568 22.990 1.00 1.00 ATOM 153 CA ILE 67 90.165 13.259 26.708 1.00 1.00 ATOM 154 CA ALA 68 87.501 11.378 28.709 1.00 1.00 ATOM 155 CA HIS 69 89.135 11.139 32.186 1.00 1.00 ATOM 156 CA LEU 70 91.932 12.385 34.450 1.00 1.00 ATOM 157 CA ARG 71 93.002 10.510 37.590 1.00 1.00 ATOM 158 CA VAL 72 95.636 9.997 40.252 1.00 1.00 ATOM 159 CA SER 73 95.704 6.264 39.451 1.00 1.00 ATOM 160 CA ALA 74 95.093 4.303 36.239 1.00 1.00 ATOM 161 CA HIS 75 91.650 3.115 37.322 1.00 1.00 ATOM 162 CA CYS 76 90.881 6.653 38.553 1.00 1.00 ATOM 163 CA LEU 77 91.219 8.012 35.012 1.00 1.00 ATOM 164 CA ILE 78 88.367 5.659 34.050 1.00 1.00 ATOM 165 CA ARG 79 85.708 6.448 36.639 1.00 1.00 ATOM 166 CA ARG 80 84.836 10.000 35.603 1.00 1.00 ATOM 167 CA ASP 81 81.262 10.474 34.398 1.00 1.00 ATOM 168 CA GLY 82 81.117 13.747 32.423 1.00 1.00 ATOM 169 CA GLU 83 84.827 14.642 32.185 1.00 1.00 ATOM 170 CA ILE 84 84.983 14.946 28.357 1.00 1.00 ATOM 171 CA VAL 85 87.358 17.543 26.933 1.00 1.00 ATOM 172 CA GLN 86 88.364 17.682 23.244 1.00 1.00 ATOM 173 CA TYR 87 91.602 19.434 22.301 1.00 1.00 ATOM 174 CA VAL 88 92.253 20.945 18.838 1.00 1.00 ATOM 175 CA PRO 89 95.484 20.175 16.973 1.00 1.00 ATOM 176 CA PHE 90 98.392 22.400 18.138 1.00 1.00 ATOM 177 CA ASP 91 96.437 24.028 20.947 1.00 1.00 ATOM 178 CA LYS 92 95.987 24.163 24.676 1.00 1.00 ATOM 179 CA ARG 93 92.957 24.115 26.984 1.00 1.00 ATOM 180 CA ALA 94 92.617 24.848 30.699 1.00 1.00 ATOM 181 CA TRP 95 90.592 22.056 32.350 1.00 1.00 ATOM 182 CA HIS 96 89.179 22.435 35.869 1.00 1.00 ATOM 183 CA ALA 97 90.703 19.510 37.777 1.00 1.00 ATOM 184 CA GLY 98 92.231 18.303 41.037 1.00 1.00 ATOM 185 CA VAL 99 96.037 18.343 41.303 1.00 1.00 ATOM 186 CA SER 100 97.367 14.783 41.165 1.00 1.00 ATOM 187 CA SER 101 100.904 13.630 41.987 1.00 1.00 ATOM 188 CA TYR 102 100.968 11.269 39.011 1.00 1.00 ATOM 189 CA GLN 103 98.182 12.135 36.578 1.00 1.00 ATOM 190 CA GLY 104 96.793 9.392 34.366 1.00 1.00 ATOM 191 CA ARG 105 94.881 10.484 31.300 1.00 1.00 ATOM 192 CA GLU 106 92.245 8.391 29.582 1.00 1.00 ATOM 193 CA ARG 107 91.384 9.015 25.912 1.00 1.00 ATOM 194 CA CYS 108 89.454 7.764 22.919 1.00 1.00 ATOM 195 CA ASN 109 91.549 6.471 19.985 1.00 1.00 ATOM 196 CA ASP 110 90.651 6.186 16.259 1.00 1.00 ATOM 197 CA PHE 111 88.760 2.888 16.530 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:32:08 2002 Date: Thu, 25 Jul 2002 08:32:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:04:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_163330_14539 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS007_5 Current information on models submitted in prediction T0141TS007 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_5 PIN_163330_14539 6269-7633-6117 07/25/02 08:04:32 casp5@bialko.llnl.gov T0141TS007_3 PIN_160457_14538 6269-7633-6117 07/25/02 08:04:18 casp5@bialko.llnl.gov T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS007_1 PIN_158316_14535 6269-7633-6117 07/25/02 08:03:35 casp5@bialko.llnl.gov T0141TS007_2 PIN_158513_14536 6269-7633-6117 07/25/02 08:03:49 casp5@bialko.llnl.gov T0141TS007_3 PIN_160457_14538 6269-7633-6117 07/25/02 08:04:18 casp5@bialko.llnl.gov T0141TS007_4 PIN_158889_14537 6269-7633-6117 07/25/02 08:04:03 casp5@bialko.llnl.gov T0141TS007_5 PIN_163330_14539 6269-7633-6117 07/25/02 08:04:32 casp5@bialko.llnl.gov T0141SS007_1 PIN_457666_10962 6269-7633-6117 06/26/02 11:34:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 2MCM # Loading PARENT structure: 2mcm (chain: ) # Number of residues in PARENT structure: 112 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue F 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue I 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 75 # Total number of atoms in model: 75 # Number of atoms with 1.0 occupancy: 75 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 75 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 2MCM ATOM 30 CA VAL 32 20.423 23.488 9.823 1.00 1.00 ATOM 31 CA VAL 33 19.158 20.041 8.784 1.00 1.00 ATOM 32 CA HIS 34 15.531 18.911 9.287 1.00 1.00 ATOM 33 CA ASN 35 15.497 15.328 10.712 1.00 1.00 ATOM 34 CA ILE 36 12.286 13.342 10.146 1.00 1.00 ATOM 35 CA SER 37 10.374 10.214 9.137 1.00 1.00 ATOM 36 CA LEU 38 8.934 10.477 5.608 1.00 1.00 ATOM 37 CA PRO 39 7.473 8.544 2.678 1.00 1.00 ATOM 38 CA PRO 40 6.550 9.226 -0.945 1.00 1.00 ATOM 39 CA GLY 41 2.841 9.980 -0.773 1.00 1.00 ATOM 40 CA GLU 42 2.581 10.779 -4.448 1.00 1.00 ATOM 41 CA PHE 43 5.141 10.552 -7.190 1.00 1.00 ATOM 42 CA GLY 44 7.367 13.594 -6.725 1.00 1.00 ATOM 43 CA GLY 45 5.736 14.461 -3.383 1.00 1.00 ATOM 44 CA PRO 46 7.328 13.519 -0.071 1.00 1.00 ATOM 45 CA TRP 47 5.245 13.768 3.109 1.00 1.00 ATOM 46 CA ILE 48 6.802 13.626 6.654 1.00 1.00 ATOM 47 CA ASP 49 5.635 13.466 10.334 1.00 1.00 ATOM 48 CA ALA 50 5.744 17.038 11.579 1.00 1.00 ATOM 49 CA LEU 51 5.068 15.872 15.172 1.00 1.00 ATOM 50 CA PHE 52 8.348 14.049 15.521 1.00 1.00 ATOM 51 CA THR 53 10.635 16.071 13.240 1.00 1.00 ATOM 52 CA GLY 54 13.379 18.168 14.718 1.00 1.00 ATOM 53 CA THR 55 16.088 20.631 13.529 1.00 1.00 ATOM 54 CA ILE 56 19.779 20.155 14.279 1.00 1.00 ATOM 55 CA ASP 57 22.745 22.319 13.135 1.00 1.00 ATOM 56 CA PRO 58 25.725 20.340 11.883 1.00 1.00 ATOM 57 CA ASN 59 28.868 20.844 13.964 1.00 1.00 ATOM 58 CA ALA 60 32.417 21.854 12.937 1.00 1.00 ATOM 59 CA HIS 61 33.116 18.236 11.931 1.00 1.00 ATOM 60 CA PRO 62 30.118 18.090 9.598 1.00 1.00 ATOM 61 CA TYR 63 28.224 15.659 11.808 1.00 1.00 ATOM 62 CA PHE 64 24.842 15.357 13.394 1.00 1.00 ATOM 63 CA ALA 65 23.762 12.620 15.836 1.00 1.00 ATOM 64 CA GLY 66 20.067 12.812 16.740 1.00 1.00 ATOM 65 CA ILE 67 17.326 10.762 18.338 1.00 1.00 ATOM 66 CA ALA 68 14.101 10.406 16.399 1.00 1.00 ATOM 67 CA HIS 69 10.894 8.711 17.573 1.00 1.00 ATOM 68 CA LEU 70 9.325 6.703 14.703 1.00 1.00 ATOM 69 CA ARG 71 5.801 5.399 14.253 1.00 1.00 ATOM 70 CA VAL 72 4.393 2.644 12.081 1.00 1.00 ATOM 71 CA SER 73 1.622 4.937 10.825 1.00 1.00 ATOM 72 CA ALA 74 1.721 8.764 10.885 1.00 1.00 ATOM 73 CA HIS 75 -0.144 11.803 9.553 1.00 1.00 ATOM 74 CA CYS 76 1.996 13.196 6.767 1.00 1.00 ATOM 75 CA LEU 77 2.352 16.906 5.990 1.00 1.00 ATOM 76 CA ILE 78 3.548 18.090 2.521 1.00 1.00 ATOM 77 CA ARG 79 5.178 21.274 1.204 1.00 1.00 ATOM 78 CA ARG 80 6.859 24.085 3.113 1.00 1.00 ATOM 79 CA ASP 81 3.731 25.304 4.872 1.00 1.00 ATOM 80 CA GLY 82 3.092 21.839 6.335 1.00 1.00 ATOM 81 CA GLU 83 -0.292 21.089 4.779 1.00 1.00 ATOM 82 CA ILE 84 -1.883 17.866 6.095 1.00 1.00 ATOM 83 CA VAL 85 -2.110 15.126 3.511 1.00 1.00 ATOM 84 CA GLN 86 -3.420 12.073 5.337 1.00 1.00 ATOM 85 CA TYR 87 -2.332 8.839 6.905 1.00 1.00 ATOM 86 CA VAL 88 0.763 6.920 5.859 1.00 1.00 ATOM 87 CA PRO 89 1.096 3.255 7.003 1.00 1.00 ATOM 88 CA PHE 90 4.766 2.182 6.932 1.00 1.00 ATOM 89 CA ASP 91 3.873 -1.500 6.973 1.00 1.00 ATOM 90 CA LYS 92 2.253 -0.981 3.503 1.00 1.00 ATOM 91 CA ARG 93 4.461 1.685 1.860 1.00 1.00 ATOM 92 CA ALA 94 8.189 2.260 2.266 1.00 1.00 ATOM 93 CA TRP 95 9.150 4.940 4.827 1.00 1.00 ATOM 94 CA HIS 96 12.535 6.387 5.709 1.00 1.00 ATOM 95 CA ALA 97 14.337 8.327 8.451 1.00 1.00 ATOM 96 CA GLY 98 16.883 10.907 7.299 1.00 1.00 ATOM 97 CA VAL 99 17.787 14.596 7.187 1.00 1.00 ATOM 98 CA SER 100 17.871 17.390 4.651 1.00 1.00 ATOM 99 CA SER 101 18.562 21.121 4.467 1.00 1.00 ATOM 100 CA TYR 102 16.444 23.815 2.787 1.00 1.00 ATOM 101 CA GLN 103 18.393 23.133 -0.439 1.00 1.00 ATOM 102 CA GLY 104 17.694 19.412 -0.443 1.00 1.00 ATOM 103 CA ARG 105 21.231 18.456 0.596 1.00 1.00 ATOM 104 CA GLU 106 21.034 15.353 2.922 1.00 1.00 TER END ################################ # # # END # # # ################################