From mailer@bialko.llnl.gov Fri Jul 5 11:14:18 2002 Date: Fri, 5 Jul 2002 11:14:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 5 10:47:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_589795_11786 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146SS007_1 Current information on models submitted in prediction T0146SS007 MODEL_INDEX PIN CODE DATE E-mail T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 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: 325 # Number of residues with nonzero confidence: 325 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0146 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-24373.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-16566//target-align-16566.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 36.8406 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-24373.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc43.23042/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Jul 3 17:56:43 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-16566//target-align-16566.a2m METHOD METHOD guide seq name: seed-seqs-24373.a2m(1), 325 bases, D1C9063A checksum. METHOD ###end 0 MODEL 1 A C 0.554 F C 0.505 T C 0.54 P C 0.599 F C 0.624 P C 0.649 P C 0.55 R C 0.48 Q H 0.436 P H 0.443 T H 0.434 A H 0.442 S H 0.434 A H 0.412 R C 0.436 L C 0.506 P C 0.546 L C 0.402 T E 0.427 L E 0.48 M E 0.463 T C 0.395 L C 0.472 D C 0.558 D C 0.536 W C 0.451 A E 0.435 L E 0.578 A E 0.625 T E 0.626 I E 0.583 T C 0.461 G C 0.658 A C 0.588 D C 0.469 S H 0.631 E H 0.674 K H 0.707 Y H 0.702 M H 0.699 Q H 0.655 G H 0.617 Q H 0.585 V H 0.547 T H 0.544 A H 0.538 D H 0.505 V H 0.572 S H 0.549 Q H 0.524 M H 0.424 A C 0.529 E C 0.553 D C 0.602 Q C 0.54 H E 0.387 L E 0.48 L E 0.514 A E 0.534 A E 0.551 H E 0.554 C E 0.496 D C 0.482 A C 0.553 K C 0.591 G C 0.59 K C 0.514 M E 0.512 W E 0.521 S E 0.448 N E 0.5 L E 0.564 R E 0.599 L E 0.609 F E 0.58 R E 0.509 D C 0.434 G C 0.636 D C 0.602 G C 0.4 F E 0.536 A E 0.587 W E 0.588 I E 0.549 E E 0.433 R C 0.552 R C 0.456 S H 0.519 V H 0.591 R H 0.607 E H 0.708 P H 0.733 Q H 0.74 L H 0.783 T H 0.796 E H 0.795 L H 0.78 K H 0.757 K H 0.742 Y H 0.666 A H 0.581 V H 0.476 F H 0.393 S C 0.413 K E 0.376 V E 0.474 T E 0.512 I E 0.514 A E 0.421 P C 0.417 D C 0.517 D C 0.532 E C 0.442 R H 0.432 V H 0.404 L E 0.408 L E 0.432 G H 0.44 V H 0.439 A C 0.391 G C 0.655 F C 0.512 Q H 0.509 A H 0.628 R H 0.683 A H 0.706 A H 0.701 L H 0.702 A H 0.678 N H 0.658 L H 0.605 F H 0.549 S H 0.514 E H 0.47 L C 0.502 P C 0.558 S C 0.507 K C 0.506 E C 0.503 K C 0.436 Q C 0.371 V E 0.349 V C 0.406 K C 0.492 E C 0.571 G C 0.598 A E 0.425 T E 0.564 T E 0.598 L E 0.551 L E 0.472 W C 0.52 F C 0.624 E C 0.622 H C 0.585 P C 0.614 A C 0.581 E C 0.584 R C 0.592 F E 0.441 L E 0.57 I E 0.601 V E 0.585 T E 0.444 D C 0.581 E H 0.454 A H 0.574 T H 0.621 A H 0.67 N H 0.697 M H 0.695 L H 0.682 T H 0.708 D H 0.719 K H 0.702 L H 0.659 R H 0.53 G C 0.527 E C 0.506 A C 0.497 E C 0.497 L C 0.497 N C 0.53 N C 0.562 S H 0.63 Q H 0.66 Q H 0.688 W H 0.696 L H 0.7 A H 0.718 L H 0.696 N H 0.686 I H 0.688 E H 0.68 A H 0.606 G C 0.6 F C 0.614 P C 0.573 V C 0.497 I C 0.511 D C 0.563 A C 0.478 A C 0.488 N C 0.514 S C 0.574 G C 0.529 Q C 0.511 F C 0.457 I C 0.492 P H 0.47 Q H 0.561 A H 0.599 T H 0.573 N H 0.465 L H 0.474 Q H 0.479 A H 0.453 L C 0.405 G C 0.505 G E 0.379 I E 0.465 S E 0.461 F E 0.414 K C 0.52 K C 0.57 G C 0.611 C C 0.558 Y C 0.493 T C 0.457 G C 0.463 Q H 0.499 E H 0.568 M H 0.597 V H 0.633 A H 0.661 R H 0.678 A H 0.68 K H 0.663 F H 0.635 R H 0.539 G C 0.498 A C 0.474 N C 0.438 K H 0.506 R H 0.477 A H 0.427 L E 0.466 W E 0.526 L E 0.526 L E 0.531 A E 0.469 G C 0.418 S C 0.573 A C 0.627 S C 0.642 R C 0.58 L C 0.594 P C 0.573 E C 0.58 A C 0.591 G C 0.644 E C 0.536 D C 0.372 L E 0.471 E E 0.479 L E 0.405 K C 0.403 M C 0.466 G C 0.508 E C 0.542 N C 0.645 W C 0.633 R C 0.554 R E 0.418 T E 0.523 G E 0.526 T E 0.583 V E 0.634 L E 0.587 A E 0.531 A E 0.442 V C 0.419 K C 0.489 L C 0.576 E C 0.605 D C 0.626 G C 0.613 Q C 0.502 V E 0.474 V E 0.544 V E 0.573 Q E 0.57 V E 0.577 V E 0.548 M E 0.433 N C 0.436 N C 0.482 D C 0.43 M C 0.45 E C 0.49 P C 0.548 D C 0.591 S C 0.555 I E 0.392 F E 0.512 R E 0.556 V E 0.5 R C 0.43 D C 0.602 D C 0.619 A C 0.499 N C 0.425 T E 0.526 L E 0.565 H E 0.571 I E 0.525 E C 0.408 P C 0.545 L C 0.576 P C 0.544 Y C 0.556 S C 0.612 L C 0.598 E C 0.614 E C 0.83 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:56:28 2002 Date: Thu, 25 Jul 2002 19:56:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0146 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 19:29:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_414706_15585 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146TS007_1 Current information on models submitted in prediction T0146TS007 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 casp5@bialko.llnl.gov T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1J9Y_A # Loading PARENT structure: 1j9y (chain: A) # Number of residues in PARENT structure: 337 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue F 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue E 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue K 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue R 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue F 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue P 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue W 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue H 155 # IMPORTANT NOTE! Not complete main chain atoms for residue P 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue E 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue F 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue D 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue T 168 # IMPORTANT NOTE! Not complete main chain atoms for residue A 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue M 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue N 183 # IMPORTANT NOTE! Not complete main chain atoms for residue N 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 186 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0146 # Total number of residues in target: 325 # Total number of residues in model: 126 # Total number of atoms in model: 126 # Number of atoms with 1.0 occupancy: 126 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 126 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0146 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1J9Y_A ATOM 197 CA ASP 63 33.911 6.452 27.452 1.00 1.00 ATOM 198 CA ALA 64 35.201 6.818 31.018 1.00 1.00 ATOM 199 CA LYS 65 32.286 4.844 32.498 1.00 1.00 ATOM 200 CA GLY 66 32.865 1.972 30.059 1.00 1.00 ATOM 201 CA LYS 67 29.824 2.860 27.912 1.00 1.00 ATOM 202 CA MET 68 29.975 2.728 24.119 1.00 1.00 ATOM 203 CA TRP 69 30.351 5.995 22.222 1.00 1.00 ATOM 204 CA SER 70 27.750 6.474 19.475 1.00 1.00 ATOM 205 CA ASN 71 29.070 6.984 15.945 1.00 1.00 ATOM 206 CA LEU 72 27.311 8.023 12.714 1.00 1.00 ATOM 207 CA ARG 73 28.899 5.513 10.309 1.00 1.00 ATOM 208 CA LEU 74 28.610 6.600 6.662 1.00 1.00 ATOM 209 CA PHE 75 29.000 3.794 4.134 1.00 1.00 ATOM 210 CA ARG 76 30.162 3.878 0.508 1.00 1.00 ATOM 211 CA ASP 77 29.660 7.593 -0.093 1.00 1.00 ATOM 212 CA GLY 78 29.609 9.366 -3.466 1.00 1.00 ATOM 215 CA ASP 79 29.839 8.779 -9.419 1.00 1.00 ATOM 216 CA GLY 80 32.462 6.323 -10.737 1.00 1.00 ATOM 217 CA PHE 81 35.655 7.422 -8.971 1.00 1.00 ATOM 218 CA ALA 82 35.358 4.755 -6.243 1.00 1.00 ATOM 219 CA TRP 83 35.276 0.953 -6.673 1.00 1.00 ATOM 220 CA ILE 84 31.699 0.837 -5.325 1.00 1.00 ATOM 221 CA GLU 85 30.532 3.462 -7.845 1.00 1.00 ATOM 222 CA ARG 86 27.876 3.570 -10.555 1.00 1.00 ATOM 223 CA ARG 87 30.065 2.152 -13.337 1.00 1.00 ATOM 224 CA SER 88 31.199 -0.598 -10.983 1.00 1.00 ATOM 225 CA VAL 89 27.795 -1.939 -9.966 1.00 1.00 ATOM 226 CA ARG 90 24.138 -2.056 -10.937 1.00 1.00 ATOM 227 CA GLU 91 21.864 -0.219 -8.476 1.00 1.00 ATOM 228 CA PRO 92 20.815 -3.587 -6.956 1.00 1.00 ATOM 229 CA GLN 93 24.445 -4.680 -6.519 1.00 1.00 ATOM 230 CA LEU 94 25.257 -1.408 -4.728 1.00 1.00 ATOM 231 CA THR 95 22.213 -1.825 -2.435 1.00 1.00 ATOM 232 CA GLU 96 23.392 -5.370 -1.678 1.00 1.00 ATOM 233 CA LEU 97 26.901 -4.103 -0.823 1.00 1.00 ATOM 234 CA LYS 98 25.464 -1.516 1.565 1.00 1.00 ATOM 235 CA LYS 99 22.928 -3.867 3.161 1.00 1.00 ATOM 236 CA TYR 100 25.412 -6.737 3.448 1.00 1.00 ATOM 237 CA ALA 101 27.904 -4.456 5.231 1.00 1.00 ATOM 238 CA VAL 102 25.330 -3.093 7.704 1.00 1.00 ATOM 239 CA PHE 103 24.061 -6.622 8.391 1.00 1.00 ATOM 240 CA SER 104 27.601 -7.936 8.888 1.00 1.00 ATOM 241 CA LYS 105 28.477 -5.198 11.389 1.00 1.00 ATOM 242 CA VAL 106 25.173 -5.296 13.261 1.00 1.00 ATOM 243 CA THR 107 24.325 -8.985 13.164 1.00 1.00 ATOM 244 CA ILE 108 27.529 -10.932 12.584 1.00 1.00 ATOM 245 CA ALA 109 29.761 -8.692 14.709 1.00 1.00 ATOM 246 CA PRO 110 27.209 -7.225 17.128 1.00 1.00 ATOM 247 CA ASP 111 27.878 -3.506 16.714 1.00 1.00 ATOM 248 CA ASP 112 25.354 -1.624 18.861 1.00 1.00 ATOM 249 CA ARG 114 26.681 1.940 18.774 1.00 1.00 ATOM 250 CA VAL 115 26.182 2.906 15.133 1.00 1.00 ATOM 251 CA LEU 116 23.668 5.036 13.280 1.00 1.00 ATOM 252 CA LEU 117 23.993 4.338 9.512 1.00 1.00 ATOM 253 CA GLY 118 24.233 7.110 6.919 1.00 1.00 ATOM 254 CA VAL 119 23.761 7.064 3.153 1.00 1.00 ATOM 255 CA ALA 120 25.303 9.821 1.029 1.00 1.00 ATOM 256 CA GLY 121 25.364 9.909 -2.781 1.00 1.00 ATOM 257 CA PHE 122 26.608 12.958 -4.678 1.00 1.00 ATOM 258 CA GLN 123 24.366 15.972 -5.201 1.00 1.00 ATOM 259 CA ALA 124 21.918 15.475 -8.073 1.00 1.00 ATOM 260 CA ARG 125 21.584 18.093 -10.828 1.00 1.00 ATOM 261 CA ALA 126 18.137 16.691 -11.623 1.00 1.00 ATOM 262 CA ALA 127 16.844 16.990 -8.059 1.00 1.00 ATOM 263 CA LEU 128 14.175 14.314 -7.766 1.00 1.00 ATOM 264 CA ALA 129 13.203 11.695 -5.191 1.00 1.00 ATOM 265 CA ASN 130 13.266 9.087 -7.969 1.00 1.00 ATOM 266 CA LEU 131 16.919 9.930 -8.676 1.00 1.00 ATOM 267 CA PHE 132 17.913 9.717 -4.990 1.00 1.00 ATOM 268 CA SER 133 16.050 6.406 -4.642 1.00 1.00 ATOM 269 CA GLU 134 17.835 4.637 -7.527 1.00 1.00 ATOM 270 CA LEU 135 20.763 3.462 -5.374 1.00 1.00 ATOM 271 CA PRO 136 19.161 4.079 -1.966 1.00 1.00 ATOM 272 CA SER 137 19.673 1.040 0.274 1.00 1.00 ATOM 273 CA LYS 138 16.197 1.338 1.827 1.00 1.00 ATOM 274 CA GLU 139 14.466 2.608 4.984 1.00 1.00 ATOM 275 CA LYS 140 15.331 -0.623 6.857 1.00 1.00 ATOM 276 CA GLN 141 19.035 0.044 6.282 1.00 1.00 ATOM 277 CA VAL 142 19.569 3.804 6.669 1.00 1.00 ATOM 278 CA VAL 143 19.115 6.146 9.639 1.00 1.00 ATOM 279 CA LYS 144 20.661 9.277 8.150 1.00 1.00 ATOM 280 CA GLU 145 19.971 10.678 4.665 1.00 1.00 ATOM 281 CA GLY 146 22.808 12.859 3.402 1.00 1.00 ATOM 282 CA ALA 147 24.661 13.829 0.263 1.00 1.00 ATOM 283 CA THR 148 28.131 15.091 -0.669 1.00 1.00 ATOM 284 CA THR 149 28.777 18.173 -2.822 1.00 1.00 ATOM 285 CA LEU 150 31.888 20.033 -3.989 1.00 1.00 ATOM 286 CA LEU 151 31.531 23.253 -5.963 1.00 1.00 ATOM 287 CA TRP 152 33.364 26.024 -7.768 1.00 1.00 ATOM 288 CA PHE 153 35.119 28.898 -5.998 1.00 1.00 ATOM 289 CA GLU 154 33.821 31.334 -8.616 1.00 1.00 ATOM 290 CA HIS 155 30.425 31.932 -10.216 1.00 1.00 ATOM 291 CA PRO 156 28.812 29.513 -7.772 1.00 1.00 ATOM 292 CA ALA 157 25.258 30.880 -7.488 1.00 1.00 ATOM 293 CA GLU 158 23.876 27.904 -9.432 1.00 1.00 ATOM 294 CA ARG 159 25.890 25.472 -7.308 1.00 1.00 ATOM 295 CA PHE 160 24.603 27.018 -4.054 1.00 1.00 ATOM 296 CA LEU 161 21.007 26.768 -5.323 1.00 1.00 ATOM 297 CA ILE 162 21.739 23.099 -6.045 1.00 1.00 ATOM 298 CA VAL 163 23.108 22.633 -2.493 1.00 1.00 ATOM 299 CA THR 164 19.865 24.053 -1.107 1.00 1.00 ATOM 300 CA ASP 165 17.738 21.941 -3.477 1.00 1.00 ATOM 301 CA GLU 166 19.458 18.683 -2.508 1.00 1.00 ATOM 302 CA ALA 167 19.236 19.551 1.215 1.00 1.00 ATOM 303 CA THR 168 15.523 20.338 0.787 1.00 1.00 ATOM 304 CA ALA 169 14.991 17.006 -0.955 1.00 1.00 ATOM 305 CA ASN 170 16.680 14.928 1.740 1.00 1.00 ATOM 306 CA MET 171 14.903 17.001 4.420 1.00 1.00 ATOM 307 CA LEU 172 11.480 16.262 2.892 1.00 1.00 ATOM 308 CA THR 173 12.301 12.569 2.402 1.00 1.00 ATOM 309 CA ASP 174 13.709 12.331 5.936 1.00 1.00 ATOM 310 CA LYS 175 10.502 13.701 7.442 1.00 1.00 ATOM 311 CA LEU 176 8.432 11.198 5.444 1.00 1.00 ATOM 312 CA ARG 177 10.693 8.269 6.336 1.00 1.00 ATOM 313 CA GLY 178 11.606 9.025 9.969 1.00 1.00 ATOM 314 CA GLU 179 15.264 9.740 9.167 1.00 1.00 ATOM 315 CA ALA 180 17.746 12.514 9.932 1.00 1.00 ATOM 316 CA GLU 181 18.614 14.675 6.904 1.00 1.00 ATOM 317 CA LEU 182 22.151 16.109 6.655 1.00 1.00 ATOM 318 CA ASN 183 24.738 17.554 4.271 1.00 1.00 ATOM 319 CA ASN 184 27.379 14.858 4.845 1.00 1.00 ATOM 320 CA SER 185 30.214 16.570 3.010 1.00 1.00 ATOM 321 CA GLN 186 30.408 20.020 1.447 1.00 1.00 ATOM 322 CA GLN 187 33.401 21.907 0.132 1.00 1.00 ATOM 323 CA TRP 188 35.102 23.653 -2.754 1.00 1.00 ATOM 332 CA PHE 197 41.547 30.444 -5.058 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:56:39 2002 Date: Thu, 25 Jul 2002 19:56:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0146 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 19:29:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_417681_15586 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146TS007_3 Current information on models submitted in prediction T0146TS007 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1IJA_A # Loading PARENT structure: 1ija (chain: A) # Number of residues in PARENT structure: 148 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 6 # IMPORTANT NOTE! Not complete main chain atoms for residue P 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 9 # IMPORTANT NOTE! Not complete main chain atoms for residue P 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue A 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue M 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue W 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue K 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue D 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue F 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue E 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue K 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue R 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue F 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue W 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue H 155 # IMPORTANT NOTE! Not complete main chain atoms for residue P 156 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0146 # Total number of residues in target: 325 # Total number of residues in model: 148 # Total number of atoms in model: 148 # Number of atoms with 1.0 occupancy: 148 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 148 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0146 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1IJA_A ATOM 1 CA ALA 1 17.714 2.318 13.633 1.00 1.00 ATOM 2 CA PHE 2 14.851 4.091 11.823 1.00 1.00 ATOM 3 CA THR 3 15.425 4.433 8.057 1.00 1.00 ATOM 4 CA PRO 4 15.943 7.908 6.538 1.00 1.00 ATOM 5 CA PHE 5 15.556 7.754 2.717 1.00 1.00 ATOM 6 CA PRO 6 14.534 10.745 0.541 1.00 1.00 ATOM 7 CA PRO 7 10.959 11.247 1.797 1.00 1.00 ATOM 8 CA ARG 8 9.773 14.745 0.609 1.00 1.00 ATOM 9 CA GLN 9 7.755 16.576 3.294 1.00 1.00 ATOM 10 CA PRO 10 5.717 17.814 0.308 1.00 1.00 ATOM 11 CA THR 11 2.586 15.657 0.660 1.00 1.00 ATOM 12 CA ALA 12 1.957 16.857 -2.932 1.00 1.00 ATOM 13 CA SER 13 5.025 15.190 -4.522 1.00 1.00 ATOM 14 CA ALA 14 5.501 11.648 -5.882 1.00 1.00 ATOM 15 CA ARG 15 7.647 9.742 -3.345 1.00 1.00 ATOM 16 CA LEU 16 7.534 6.493 -5.355 1.00 1.00 ATOM 17 CA PRO 17 5.402 4.466 -7.809 1.00 1.00 ATOM 18 CA LEU 18 3.634 1.096 -7.402 1.00 1.00 ATOM 19 CA THR 19 3.312 -1.095 -10.523 1.00 1.00 ATOM 20 CA LEU 20 1.493 -4.420 -11.020 1.00 1.00 ATOM 21 CA MET 21 0.535 -6.128 -14.358 1.00 1.00 ATOM 22 CA THR 22 -2.033 -8.592 -12.960 1.00 1.00 ATOM 23 CA LEU 23 -3.922 -5.400 -11.972 1.00 1.00 ATOM 24 CA ASP 24 -2.464 -3.088 -14.661 1.00 1.00 ATOM 25 CA ASP 25 -1.825 -0.635 -11.788 1.00 1.00 ATOM 26 CA TRP 26 0.734 2.197 -12.106 1.00 1.00 ATOM 27 CA ALA 27 0.159 5.071 -9.642 1.00 1.00 ATOM 28 CA LEU 28 2.322 7.398 -7.417 1.00 1.00 ATOM 29 CA ALA 29 2.325 7.435 -3.566 1.00 1.00 ATOM 30 CA THR 30 2.610 10.614 -1.417 1.00 1.00 ATOM 31 CA ILE 31 4.488 10.600 1.959 1.00 1.00 ATOM 32 CA THR 32 1.867 11.133 4.685 1.00 1.00 ATOM 33 CA GLY 33 -0.971 9.625 6.756 1.00 1.00 ATOM 34 CA ALA 34 -3.424 7.728 4.517 1.00 1.00 ATOM 35 CA ASP 35 -6.111 10.476 4.642 1.00 1.00 ATOM 36 CA SER 36 -9.270 10.591 2.429 1.00 1.00 ATOM 37 CA GLU 37 -8.844 14.227 1.330 1.00 1.00 ATOM 38 CA LYS 38 -5.305 13.273 0.219 1.00 1.00 ATOM 39 CA TYR 39 -5.590 9.761 -1.294 1.00 1.00 ATOM 40 CA MET 40 -8.256 11.486 -3.385 1.00 1.00 ATOM 41 CA GLN 41 -5.271 12.920 -5.253 1.00 1.00 ATOM 42 CA GLY 42 -3.850 9.397 -5.611 1.00 1.00 ATOM 43 CA GLN 43 -2.218 6.852 -3.241 1.00 1.00 ATOM 44 CA VAL 44 -0.170 7.352 -0.033 1.00 1.00 ATOM 45 CA THR 45 1.500 5.262 2.702 1.00 1.00 ATOM 46 CA ALA 46 -0.809 3.917 5.431 1.00 1.00 ATOM 47 CA ASP 47 1.080 5.999 8.043 1.00 1.00 ATOM 48 CA VAL 48 2.974 9.331 7.915 1.00 1.00 ATOM 49 CA SER 49 6.037 7.644 9.510 1.00 1.00 ATOM 50 CA GLN 50 6.263 5.166 6.616 1.00 1.00 ATOM 51 CA MET 51 9.384 5.262 4.427 1.00 1.00 ATOM 52 CA ALA 52 10.674 3.694 1.207 1.00 1.00 ATOM 53 CA GLU 53 12.715 1.337 3.411 1.00 1.00 ATOM 54 CA ASP 54 10.496 0.541 6.421 1.00 1.00 ATOM 55 CA GLN 55 10.902 -3.224 7.072 1.00 1.00 ATOM 56 CA HIS 56 7.124 -3.146 6.509 1.00 1.00 ATOM 57 CA LEU 57 5.622 -0.626 4.069 1.00 1.00 ATOM 58 CA LEU 58 1.816 -0.327 4.373 1.00 1.00 ATOM 59 CA ALA 59 0.011 1.510 1.526 1.00 1.00 ATOM 60 CA ALA 60 -3.595 2.679 1.084 1.00 1.00 ATOM 61 CA GLY 66 -5.234 3.180 -2.358 1.00 1.00 ATOM 62 CA LYS 67 -8.758 3.958 -3.616 1.00 1.00 ATOM 63 CA MET 68 -10.840 1.373 -5.547 1.00 1.00 ATOM 64 CA TRP 69 -13.778 2.681 -7.627 1.00 1.00 ATOM 65 CA SER 70 -15.776 -0.254 -9.040 1.00 1.00 ATOM 66 CA ASN 71 -16.950 2.077 -11.811 1.00 1.00 ATOM 67 CA LEU 72 -13.310 2.587 -12.827 1.00 1.00 ATOM 68 CA ARG 73 -11.528 -0.763 -13.552 1.00 1.00 ATOM 69 CA LEU 74 -8.332 1.303 -14.082 1.00 1.00 ATOM 70 CA PHE 75 -7.597 3.340 -10.909 1.00 1.00 ATOM 71 CA ARG 76 -5.457 3.070 -7.746 1.00 1.00 ATOM 72 CA ASP 77 -6.539 -0.040 -5.773 1.00 1.00 ATOM 73 CA GLY 78 -9.531 -0.807 -8.039 1.00 1.00 ATOM 74 CA ASP 79 -7.802 -3.594 -10.024 1.00 1.00 ATOM 75 CA GLY 80 -5.600 -4.740 -7.118 1.00 1.00 ATOM 76 CA PHE 81 -8.650 -6.785 -6.065 1.00 1.00 ATOM 77 CA ALA 82 -8.231 -8.543 -9.395 1.00 1.00 ATOM 78 CA TRP 83 -4.686 -9.503 -8.351 1.00 1.00 ATOM 79 CA ILE 84 -4.150 -12.983 -6.823 1.00 1.00 ATOM 80 CA GLU 85 -1.565 -14.844 -4.705 1.00 1.00 ATOM 81 CA ARG 86 1.829 -15.119 -6.460 1.00 1.00 ATOM 82 CA ARG 87 1.078 -11.739 -8.065 1.00 1.00 ATOM 83 CA SER 88 4.484 -10.045 -7.886 1.00 1.00 ATOM 84 CA VAL 89 4.833 -6.229 -7.755 1.00 1.00 ATOM 85 CA ARG 90 7.456 -3.474 -8.234 1.00 1.00 ATOM 86 CA GLU 91 7.817 -0.501 -5.852 1.00 1.00 ATOM 87 CA PRO 92 9.755 2.331 -7.528 1.00 1.00 ATOM 88 CA GLN 93 11.898 4.600 -5.321 1.00 1.00 ATOM 89 CA LEU 94 14.227 7.455 -6.358 1.00 1.00 ATOM 90 CA THR 95 16.366 5.832 -9.107 1.00 1.00 ATOM 91 CA GLU 96 15.787 2.127 -8.345 1.00 1.00 ATOM 92 CA LEU 97 12.943 -0.455 -8.348 1.00 1.00 ATOM 93 CA LYS 98 12.513 -3.334 -5.845 1.00 1.00 ATOM 94 CA LYS 99 10.208 -6.378 -6.270 1.00 1.00 ATOM 95 CA TYR 100 8.130 -8.675 -4.003 1.00 1.00 ATOM 96 CA ALA 101 6.033 -11.874 -4.331 1.00 1.00 ATOM 97 CA VAL 102 2.526 -12.159 -2.828 1.00 1.00 ATOM 98 CA PHE 103 2.509 -15.149 -0.432 1.00 1.00 ATOM 99 CA SER 104 -0.190 -14.447 2.191 1.00 1.00 ATOM 100 CA LYS 105 -3.585 -13.023 1.249 1.00 1.00 ATOM 101 CA VAL 106 -5.703 -11.776 4.216 1.00 1.00 ATOM 102 CA THR 107 -8.476 -9.877 2.350 1.00 1.00 ATOM 103 CA ILE 108 -10.559 -12.829 3.598 1.00 1.00 ATOM 104 CA ALA 109 -11.486 -12.217 7.246 1.00 1.00 ATOM 105 CA PRO 110 -10.317 -8.665 8.166 1.00 1.00 ATOM 106 CA ASP 111 -9.268 -9.610 11.725 1.00 1.00 ATOM 107 CA ASP 112 -6.111 -11.696 11.071 1.00 1.00 ATOM 108 CA GLU 113 -2.595 -11.784 12.564 1.00 1.00 ATOM 109 CA ARG 114 -1.539 -9.453 9.726 1.00 1.00 ATOM 110 CA VAL 115 -3.475 -6.173 10.005 1.00 1.00 ATOM 111 CA LEU 116 -0.080 -4.493 9.613 1.00 1.00 ATOM 112 CA LEU 117 2.495 -7.281 10.107 1.00 1.00 ATOM 113 CA GLY 118 4.996 -4.493 10.913 1.00 1.00 ATOM 114 CA VAL 119 5.545 -5.641 14.491 1.00 1.00 ATOM 115 CA ALA 120 6.426 -9.175 13.456 1.00 1.00 ATOM 116 CA GLY 121 10.107 -10.067 12.880 1.00 1.00 ATOM 117 CA PHE 122 10.439 -11.871 9.518 1.00 1.00 ATOM 118 CA GLN 123 11.850 -10.226 6.339 1.00 1.00 ATOM 119 CA ALA 124 10.915 -7.013 4.458 1.00 1.00 ATOM 120 CA ARG 125 7.208 -7.080 3.570 1.00 1.00 ATOM 121 CA ALA 126 4.556 -5.065 1.679 1.00 1.00 ATOM 122 CA ALA 127 1.163 -4.678 3.427 1.00 1.00 ATOM 123 CA LEU 128 -1.653 -3.593 1.062 1.00 1.00 ATOM 124 CA ALA 129 -4.828 -1.715 2.172 1.00 1.00 ATOM 125 CA ASN 130 -7.907 -0.483 0.226 1.00 1.00 ATOM 126 CA LEU 131 -9.745 2.816 0.908 1.00 1.00 ATOM 127 CA PHE 132 -13.345 3.441 -0.234 1.00 1.00 ATOM 128 CA SER 133 -16.638 4.502 1.380 1.00 1.00 ATOM 129 CA SER 137 -14.931 6.187 4.342 1.00 1.00 ATOM 130 CA LYS 138 -17.422 5.851 7.243 1.00 1.00 ATOM 131 CA GLU 139 -17.694 8.990 9.421 1.00 1.00 ATOM 132 CA LYS 140 -19.196 6.877 12.215 1.00 1.00 ATOM 133 CA GLN 141 -15.931 5.565 13.720 1.00 1.00 ATOM 134 CA VAL 142 -13.743 7.726 11.452 1.00 1.00 ATOM 135 CA VAL 143 -12.256 4.748 9.563 1.00 1.00 ATOM 136 CA LYS 144 -12.397 3.155 6.109 1.00 1.00 ATOM 137 CA GLU 145 -15.689 1.188 6.137 1.00 1.00 ATOM 138 CA GLY 146 -14.420 -1.825 4.137 1.00 1.00 ATOM 139 CA ALA 147 -10.703 -2.704 4.408 1.00 1.00 ATOM 140 CA THR 148 -9.428 -5.664 2.362 1.00 1.00 ATOM 141 CA THR 149 -5.719 -6.454 2.944 1.00 1.00 ATOM 142 CA LEU 150 -3.020 -8.409 1.097 1.00 1.00 ATOM 143 CA LEU 151 0.673 -8.950 2.045 1.00 1.00 ATOM 144 CA TRP 152 3.820 -10.163 0.244 1.00 1.00 ATOM 145 CA PHE 153 7.483 -10.757 1.195 1.00 1.00 ATOM 146 CA GLU 154 10.872 -10.131 -0.447 1.00 1.00 ATOM 147 CA HIS 155 11.818 -13.051 -2.738 1.00 1.00 ATOM 148 CA PRO 156 15.301 -14.551 -3.295 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:57:07 2002 Date: Thu, 25 Jul 2002 19:57:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0146 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 19:29:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_415229_15587 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146TS007_5 Current information on models submitted in prediction T0146TS007 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1KXJ_A # Loading PARENT structure: 1kxj (chain: A) # Number of residues in PARENT structure: 203 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue E 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue K 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue R 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue F 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue P 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue W 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue H 155 # IMPORTANT NOTE! Not complete main chain atoms for residue P 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue E 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue F 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue D 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue T 168 # IMPORTANT NOTE! Not complete main chain atoms for residue A 169 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0146 # Total number of residues in target: 325 # Total number of residues in model: 89 # Total number of atoms in model: 89 # Number of atoms with 1.0 occupancy: 89 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 89 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0146 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1KXJ_A ATOM 44 CA GLY 80 57.757 35.580 -19.683 1.00 1.00 ATOM 45 CA PHE 81 56.102 32.265 -18.752 1.00 1.00 ATOM 46 CA ALA 82 52.306 32.181 -18.246 1.00 1.00 ATOM 47 CA TRP 83 50.480 29.056 -16.996 1.00 1.00 ATOM 48 CA ILE 84 46.790 28.353 -17.585 1.00 1.00 ATOM 49 CA GLU 85 46.066 25.488 -15.172 1.00 1.00 ATOM 50 CA ARG 86 42.801 24.055 -13.918 1.00 1.00 ATOM 51 CA ARG 87 40.836 20.991 -12.934 1.00 1.00 ATOM 52 CA SER 88 37.150 20.737 -13.662 1.00 1.00 ATOM 53 CA VAL 89 34.587 21.477 -16.328 1.00 1.00 ATOM 54 CA ARG 90 35.448 23.174 -19.641 1.00 1.00 ATOM 55 CA GLU 91 32.688 25.800 -19.370 1.00 1.00 ATOM 56 CA PRO 92 33.579 26.741 -15.784 1.00 1.00 ATOM 57 CA GLN 93 37.156 27.300 -16.874 1.00 1.00 ATOM 58 CA LEU 94 36.218 29.679 -19.635 1.00 1.00 ATOM 59 CA THR 95 33.776 31.284 -17.188 1.00 1.00 ATOM 60 CA GLU 96 36.494 32.059 -14.575 1.00 1.00 ATOM 61 CA LEU 97 38.746 33.432 -17.307 1.00 1.00 ATOM 62 CA LYS 98 36.021 35.777 -18.616 1.00 1.00 ATOM 63 CA LYS 99 34.563 36.651 -15.179 1.00 1.00 ATOM 64 CA TYR 100 38.062 37.837 -14.272 1.00 1.00 ATOM 65 CA ALA 101 38.817 39.601 -17.561 1.00 1.00 ATOM 66 CA VAL 102 41.899 37.437 -18.287 1.00 1.00 ATOM 67 CA PHE 103 41.102 36.291 -21.878 1.00 1.00 ATOM 68 CA SER 104 42.595 39.339 -23.589 1.00 1.00 ATOM 69 CA LYS 105 45.432 39.232 -21.058 1.00 1.00 ATOM 70 CA VAL 106 46.408 35.751 -22.287 1.00 1.00 ATOM 71 CA THR 107 45.939 36.829 -25.874 1.00 1.00 ATOM 72 CA ILE 108 48.444 39.685 -25.415 1.00 1.00 ATOM 73 CA ALA 109 51.036 37.155 -24.238 1.00 1.00 ATOM 74 CA PRO 110 50.564 35.094 -27.392 1.00 1.00 ATOM 75 CA ASP 111 51.002 38.175 -29.611 1.00 1.00 ATOM 76 CA ASP 112 53.970 39.455 -27.630 1.00 1.00 ATOM 77 CA GLU 113 55.563 36.009 -27.991 1.00 1.00 ATOM 78 CA ARG 114 55.764 34.920 -24.360 1.00 1.00 ATOM 79 CA VAL 115 55.364 31.265 -23.424 1.00 1.00 ATOM 80 CA LEU 116 51.743 30.361 -22.698 1.00 1.00 ATOM 81 CA LEU 117 51.252 26.841 -21.415 1.00 1.00 ATOM 82 CA GLY 118 47.997 25.144 -20.494 1.00 1.00 ATOM 83 CA VAL 119 47.974 22.322 -17.958 1.00 1.00 ATOM 84 CA ALA 120 45.183 19.746 -17.543 1.00 1.00 ATOM 85 CA PHE 122 42.032 21.807 -18.047 1.00 1.00 ATOM 86 CA GLN 123 44.283 24.575 -19.277 1.00 1.00 ATOM 87 CA ALA 124 45.455 22.417 -22.175 1.00 1.00 ATOM 88 CA ARG 125 41.862 21.848 -23.325 1.00 1.00 ATOM 89 CA ALA 126 41.029 25.537 -22.931 1.00 1.00 ATOM 90 CA ALA 127 43.621 26.249 -25.616 1.00 1.00 ATOM 91 CA LEU 128 41.128 24.942 -28.169 1.00 1.00 ATOM 92 CA ALA 129 38.030 26.095 -30.004 1.00 1.00 ATOM 93 CA ASN 130 35.342 23.853 -28.688 1.00 1.00 ATOM 94 CA LEU 131 34.719 21.028 -26.252 1.00 1.00 ATOM 95 CA PHE 132 32.004 18.374 -26.221 1.00 1.00 ATOM 96 CA SER 133 31.810 19.020 -22.447 1.00 1.00 ATOM 97 CA GLU 134 30.597 22.657 -22.862 1.00 1.00 ATOM 98 CA LEU 135 28.035 22.579 -25.759 1.00 1.00 ATOM 99 CA PRO 136 27.631 26.259 -26.511 1.00 1.00 ATOM 100 CA SER 137 30.882 27.437 -24.934 1.00 1.00 ATOM 101 CA LYS 138 33.855 28.649 -26.969 1.00 1.00 ATOM 102 CA GLU 139 37.462 28.226 -25.847 1.00 1.00 ATOM 103 CA LYS 140 40.569 30.434 -25.965 1.00 1.00 ATOM 104 CA GLN 141 40.927 29.172 -29.580 1.00 1.00 ATOM 105 CA VAL 142 44.702 29.655 -29.623 1.00 1.00 ATOM 106 CA VAL 143 45.162 26.375 -31.579 1.00 1.00 ATOM 107 CA LYS 144 42.583 25.031 -34.021 1.00 1.00 ATOM 108 CA GLU 145 41.098 21.821 -32.765 1.00 1.00 ATOM 109 CA GLY 146 38.490 20.268 -30.508 1.00 1.00 ATOM 110 CA ALA 147 38.257 18.613 -27.159 1.00 1.00 ATOM 111 CA THR 148 36.179 15.408 -27.294 1.00 1.00 ATOM 112 CA THR 149 35.310 12.690 -24.740 1.00 1.00 ATOM 113 CA LEU 150 37.556 9.613 -24.530 1.00 1.00 ATOM 114 CA LEU 151 36.119 6.454 -26.166 1.00 1.00 ATOM 115 CA TRP 152 36.937 4.217 -23.192 1.00 1.00 ATOM 116 CA PHE 153 34.161 3.028 -20.912 1.00 1.00 ATOM 117 CA GLU 154 36.463 3.132 -17.879 1.00 1.00 ATOM 118 CA HIS 155 36.433 6.916 -17.193 1.00 1.00 ATOM 119 CA PRO 156 37.911 9.134 -15.964 1.00 1.00 ATOM 120 CA ALA 157 41.366 8.016 -17.116 1.00 1.00 ATOM 121 CA GLU 158 43.485 7.929 -13.982 1.00 1.00 ATOM 122 CA ARG 159 46.876 6.215 -13.474 1.00 1.00 ATOM 123 CA PHE 160 50.332 6.662 -14.953 1.00 1.00 ATOM 124 CA LEU 161 51.050 6.478 -18.678 1.00 1.00 ATOM 125 CA ILE 162 53.871 6.850 -21.167 1.00 1.00 ATOM 126 CA VAL 163 54.136 10.173 -22.995 1.00 1.00 ATOM 127 CA THR 164 56.327 10.133 -26.126 1.00 1.00 ATOM 128 CA ASP 165 57.415 13.679 -26.996 1.00 1.00 ATOM 129 CA GLU 166 58.596 14.700 -30.436 1.00 1.00 ATOM 130 CA ALA 167 61.551 16.744 -29.274 1.00 1.00 ATOM 131 CA THR 168 62.193 18.595 -26.091 1.00 1.00 ATOM 132 CA ALA 169 60.604 17.168 -23.044 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:58:18 2002 Date: Thu, 25 Jul 2002 19:58:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0146 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 19:30:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_436717_15592 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146TS007_4 Current information on models submitted in prediction T0146TS007 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_4 PIN_436717_15592 6269-7633-6117 07/25/02 19:30:46 casp5@bialko.llnl.gov T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_4 PIN_436717_15592 6269-7633-6117 07/25/02 19:30:46 casp5@bialko.llnl.gov T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1DAB_A # Loading PARENT structure: 1dab (chain: A) # Number of residues in PARENT structure: 539 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue K 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue D 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 C 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue F 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue H 155 # IMPORTANT NOTE! Not complete main chain atoms for residue P 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue E 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue F 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue D 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue T 168 # IMPORTANT NOTE! Not complete main chain atoms for residue A 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue M 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue N 183 # IMPORTANT NOTE! Not complete main chain atoms for residue N 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 186 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue E 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue D 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue A 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue P 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue T 213 # IMPORTANT NOTE! Not complete main chain atoms for residue N 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue G 219 # IMPORTANT NOTE! Not complete main chain atoms for residue G 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue F 223 # IMPORTANT NOTE! Not complete main chain atoms for residue K 224 # IMPORTANT NOTE! Not complete main chain atoms for residue K 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue C 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue T 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue M 233 # IMPORTANT NOTE! Not complete main chain atoms for residue V 234 # IMPORTANT NOTE! Not complete main chain atoms for residue A 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue F 239 # IMPORTANT NOTE! Not complete main chain atoms for residue R 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue N 243 # IMPORTANT NOTE! Not complete main chain atoms for residue K 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 245 # IMPORTANT NOTE! Not complete main chain atoms for residue A 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue W 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue L 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # IMPORTANT NOTE! Not complete main chain atoms for residue G 252 # IMPORTANT NOTE! Not complete main chain atoms for residue S 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue S 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue P 258 # IMPORTANT NOTE! Not complete main chain atoms for residue E 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue E 262 # IMPORTANT NOTE! Not complete main chain atoms for residue D 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue E 265 # IMPORTANT NOTE! Not complete main chain atoms for residue L 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue M 268 # IMPORTANT NOTE! Not complete main chain atoms for residue G 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue N 271 # IMPORTANT NOTE! Not complete main chain atoms for residue W 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 273 # IMPORTANT NOTE! Not complete main chain atoms for residue R 274 # IMPORTANT NOTE! Not complete main chain atoms for residue T 275 # IMPORTANT NOTE! Not complete main chain atoms for residue G 276 # IMPORTANT NOTE! Not complete main chain atoms for residue T 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue D 286 # IMPORTANT NOTE! Not complete main chain atoms for residue G 287 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 288 # IMPORTANT NOTE! Not complete main chain atoms for residue V 289 # IMPORTANT NOTE! Not complete main chain atoms for residue V 290 # IMPORTANT NOTE! Not complete main chain atoms for residue V 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue D 298 # IMPORTANT NOTE! Not complete main chain atoms for residue M 299 # IMPORTANT NOTE! Not complete main chain atoms for residue E 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue S 303 # IMPORTANT NOTE! Not complete main chain atoms for residue I 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue R 306 # IMPORTANT NOTE! Not complete main chain atoms for residue V 307 # IMPORTANT NOTE! Not complete main chain atoms for residue R 308 # IMPORTANT NOTE! Not complete main chain atoms for residue D 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue A 311 # IMPORTANT NOTE! Not complete main chain atoms for residue N 312 # IMPORTANT NOTE! Not complete main chain atoms for residue T 313 # IMPORTANT NOTE! Not complete main chain atoms for residue L 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue I 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue P 318 # IMPORTANT NOTE! Not complete main chain atoms for residue L 319 # IMPORTANT NOTE! Not complete main chain atoms for residue P 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 321 # IMPORTANT NOTE! Not complete main chain atoms for residue S 322 # IMPORTANT NOTE! Not complete main chain atoms for residue L 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0146 # Total number of residues in target: 325 # Total number of residues in model: 238 # Total number of atoms in model: 238 # Number of atoms with 1.0 occupancy: 238 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 238 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0146 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1DAB_A ATOM 1 CA THR 30 -60.972 104.673 57.990 1.00 1.00 ATOM 2 CA ILE 31 -58.249 107.241 58.680 1.00 1.00 ATOM 3 CA THR 32 -57.521 108.521 55.169 1.00 1.00 ATOM 4 CA GLY 33 -55.507 111.654 54.263 1.00 1.00 ATOM 5 CA ALA 34 -55.499 112.872 57.876 1.00 1.00 ATOM 6 CA ASP 35 -52.954 114.398 60.240 1.00 1.00 ATOM 7 CA SER 36 -52.811 112.798 63.688 1.00 1.00 ATOM 8 CA GLU 37 -50.791 114.821 66.196 1.00 1.00 ATOM 9 CA LYS 38 -50.766 113.697 69.845 1.00 1.00 ATOM 10 CA TYR 39 -48.818 115.129 72.798 1.00 1.00 ATOM 11 CA MET 40 -50.154 113.522 76.013 1.00 1.00 ATOM 12 CA GLN 41 -48.672 110.596 77.954 1.00 1.00 ATOM 13 CA GLY 42 -49.453 107.255 76.225 1.00 1.00 ATOM 14 CA GLN 43 -51.643 109.004 73.633 1.00 1.00 ATOM 15 CA VAL 44 -51.034 106.893 70.548 1.00 1.00 ATOM 16 CA THR 45 -51.590 108.000 66.953 1.00 1.00 ATOM 17 CA ALA 46 -53.577 104.843 66.134 1.00 1.00 ATOM 18 CA ASP 47 -54.291 102.203 68.797 1.00 1.00 ATOM 19 CA VAL 48 -56.057 98.909 68.033 1.00 1.00 ATOM 20 CA SER 49 -56.821 97.303 71.380 1.00 1.00 ATOM 21 CA GLN 50 -57.507 93.855 72.717 1.00 1.00 ATOM 22 CA MET 51 -61.094 94.878 73.517 1.00 1.00 ATOM 23 CA ALA 52 -61.682 96.245 70.011 1.00 1.00 ATOM 24 CA GLU 53 -63.310 94.257 67.208 1.00 1.00 ATOM 25 CA ASP 54 -61.272 92.302 64.663 1.00 1.00 ATOM 26 CA GLN 55 -61.166 93.226 60.981 1.00 1.00 ATOM 27 CA HIS 56 -59.086 95.282 58.605 1.00 1.00 ATOM 28 CA LEU 57 -58.549 98.982 59.228 1.00 1.00 ATOM 29 CA LEU 58 -57.113 101.113 56.422 1.00 1.00 ATOM 30 CA ALA 59 -55.093 104.354 56.507 1.00 1.00 ATOM 31 CA ALA 60 -53.978 106.022 53.286 1.00 1.00 ATOM 32 CA HIS 61 -52.202 109.355 52.850 1.00 1.00 ATOM 33 CA CYS 62 -52.078 109.807 56.636 1.00 1.00 ATOM 34 CA ASP 63 -49.297 111.281 58.783 1.00 1.00 ATOM 35 CA ALA 64 -48.897 110.426 62.470 1.00 1.00 ATOM 36 CA LYS 65 -46.869 112.426 64.973 1.00 1.00 ATOM 37 CA GLY 66 -46.740 111.549 68.656 1.00 1.00 ATOM 40 CA LYS 67 -44.202 109.498 77.063 1.00 1.00 ATOM 41 CA MET 68 -44.939 105.826 76.265 1.00 1.00 ATOM 42 CA TRP 69 -46.879 106.821 73.185 1.00 1.00 ATOM 43 CA SER 70 -46.406 104.994 69.901 1.00 1.00 ATOM 44 CA ASN 71 -47.479 106.272 66.492 1.00 1.00 ATOM 45 CA LEU 72 -49.157 102.886 65.925 1.00 1.00 ATOM 46 CA ARG 73 -50.014 100.272 68.566 1.00 1.00 ATOM 47 CA LEU 74 -51.573 96.955 67.490 1.00 1.00 ATOM 48 CA PHE 75 -52.650 94.624 70.306 1.00 1.00 ATOM 49 CA ARG 76 -55.413 92.453 68.838 1.00 1.00 ATOM 75 CA ASP 77 -38.544 99.505 74.794 1.00 1.00 ATOM 76 CA GLY 78 -41.207 99.497 72.069 1.00 1.00 ATOM 77 CA ASP 79 -41.050 100.993 68.563 1.00 1.00 ATOM 78 CA GLY 80 -42.796 104.000 66.982 1.00 1.00 ATOM 79 CA PHE 81 -44.894 101.359 65.217 1.00 1.00 ATOM 80 CA ALA 82 -45.374 98.413 67.581 1.00 1.00 ATOM 81 CA TRP 83 -47.202 95.167 66.882 1.00 1.00 ATOM 82 CA ILE 84 -47.864 92.874 69.848 1.00 1.00 ATOM 83 CA LYS 98 -50.741 91.076 68.129 1.00 1.00 ATOM 84 CA LYS 99 -52.477 91.455 64.790 1.00 1.00 ATOM 85 CA TYR 100 -51.117 92.250 61.359 1.00 1.00 ATOM 86 CA ALA 101 -49.586 95.482 60.146 1.00 1.00 ATOM 87 CA VAL 102 -49.233 96.126 56.415 1.00 1.00 ATOM 88 CA PHE 103 -47.054 99.158 55.636 1.00 1.00 ATOM 89 CA SER 104 -46.594 100.316 52.060 1.00 1.00 ATOM 90 CA LYS 105 -44.685 103.346 50.764 1.00 1.00 ATOM 91 CA VAL 106 -44.359 104.561 54.368 1.00 1.00 ATOM 92 CA THR 107 -41.863 106.861 56.098 1.00 1.00 ATOM 93 CA ILE 108 -41.300 105.600 59.657 1.00 1.00 ATOM 94 CA ALA 109 -39.053 107.374 62.156 1.00 1.00 ATOM 95 CA PRO 110 -38.265 107.242 65.843 1.00 1.00 ATOM 96 CA ASP 111 -36.939 110.722 66.630 1.00 1.00 ATOM 97 CA ASP 112 -36.771 110.408 70.410 1.00 1.00 ATOM 98 CA GLU 113 -33.582 111.402 72.207 1.00 1.00 ATOM 99 CA ARG 114 -30.929 108.633 71.798 1.00 1.00 ATOM 100 CA GLU 154 -30.478 109.445 75.224 1.00 1.00 ATOM 101 CA HIS 155 -34.170 109.162 76.299 1.00 1.00 ATOM 102 CA PRO 156 -35.197 106.085 74.273 1.00 1.00 ATOM 103 CA ALA 157 -33.915 103.178 72.201 1.00 1.00 ATOM 104 CA GLU 158 -35.001 104.856 68.958 1.00 1.00 ATOM 105 CA ARG 159 -36.752 101.679 67.739 1.00 1.00 ATOM 106 CA PHE 160 -38.803 102.460 64.630 1.00 1.00 ATOM 107 CA LEU 161 -40.592 99.092 64.386 1.00 1.00 ATOM 108 CA ILE 162 -41.156 96.525 67.131 1.00 1.00 ATOM 109 CA VAL 163 -42.978 93.262 66.285 1.00 1.00 ATOM 110 CA THR 164 -43.310 90.616 68.997 1.00 1.00 ATOM 111 CA ASP 165 -45.566 87.639 69.701 1.00 1.00 ATOM 112 CA GLU 166 -46.981 84.484 68.137 1.00 1.00 ATOM 113 CA ALA 167 -49.837 86.399 66.478 1.00 1.00 ATOM 114 CA THR 168 -47.838 89.536 65.664 1.00 1.00 ATOM 115 CA ALA 169 -47.276 89.971 61.937 1.00 1.00 ATOM 116 CA ASN 170 -45.935 92.734 59.718 1.00 1.00 ATOM 117 CA MET 171 -45.480 93.217 55.993 1.00 1.00 ATOM 118 CA LEU 172 -43.319 96.230 55.100 1.00 1.00 ATOM 119 CA THR 173 -42.823 97.354 51.497 1.00 1.00 ATOM 120 CA ASP 174 -41.221 100.330 49.732 1.00 1.00 ATOM 121 CA LYS 175 -40.554 102.189 52.976 1.00 1.00 ATOM 122 CA LEU 176 -37.749 103.663 55.059 1.00 1.00 ATOM 123 CA ARG 177 -37.363 102.990 58.793 1.00 1.00 ATOM 124 CA GLY 178 -35.320 105.566 60.714 1.00 1.00 ATOM 125 CA GLU 179 -34.189 105.630 64.318 1.00 1.00 ATOM 126 CA ALA 180 -31.162 104.439 66.305 1.00 1.00 ATOM 133 CA GLU 181 -41.087 85.990 70.409 1.00 1.00 ATOM 134 CA LEU 182 -42.446 84.121 67.379 1.00 1.00 ATOM 135 CA ASN 183 -43.301 87.164 65.258 1.00 1.00 ATOM 136 CA ASN 184 -43.532 86.858 61.469 1.00 1.00 ATOM 137 CA SER 185 -42.253 89.794 59.364 1.00 1.00 ATOM 138 CA GLN 186 -41.639 90.333 55.643 1.00 1.00 ATOM 139 CA GLN 187 -39.715 93.419 54.453 1.00 1.00 ATOM 140 CA TRP 188 -39.416 94.324 50.763 1.00 1.00 ATOM 141 CA LEU 189 -37.780 97.107 48.793 1.00 1.00 ATOM 142 CA ALA 190 -37.058 99.085 51.936 1.00 1.00 ATOM 143 CA ASN 192 -34.187 100.164 54.101 1.00 1.00 ATOM 144 CA ILE 193 -33.403 100.153 57.791 1.00 1.00 ATOM 145 CA GLU 194 -31.468 103.386 57.528 1.00 1.00 ATOM 146 CA ALA 195 -29.468 103.410 60.773 1.00 1.00 ATOM 147 CA GLY 196 -30.574 101.254 63.695 1.00 1.00 ATOM 148 CA PHE 197 -29.958 97.760 62.269 1.00 1.00 ATOM 149 CA PRO 198 -32.204 94.673 62.232 1.00 1.00 ATOM 150 CA VAL 199 -32.473 92.704 65.518 1.00 1.00 ATOM 151 CA ILE 200 -34.307 89.374 65.670 1.00 1.00 ATOM 152 CA ASP 201 -34.797 87.430 68.887 1.00 1.00 ATOM 181 CA ALA 202 -24.418 101.231 69.310 1.00 1.00 ATOM 182 CA ALA 203 -25.674 97.971 67.779 1.00 1.00 ATOM 183 CA ASN 204 -23.135 95.159 68.069 1.00 1.00 ATOM 184 CA SER 205 -24.186 93.862 64.668 1.00 1.00 ATOM 185 CA GLY 206 -25.947 95.456 61.698 1.00 1.00 ATOM 186 CA GLN 207 -28.141 92.339 61.618 1.00 1.00 ATOM 187 CA PHE 208 -28.537 90.083 64.656 1.00 1.00 ATOM 188 CA ILE 209 -30.412 86.766 64.680 1.00 1.00 ATOM 189 CA PRO 210 -30.449 85.200 68.151 1.00 1.00 ATOM 190 CA GLN 211 -32.136 82.108 69.591 1.00 1.00 ATOM 191 CA ALA 212 -35.234 80.566 67.993 1.00 1.00 ATOM 192 CA THR 213 -35.134 82.931 65.013 1.00 1.00 ATOM 193 CA ASN 214 -34.896 82.563 61.255 1.00 1.00 ATOM 194 CA LEU 215 -33.856 85.109 58.673 1.00 1.00 ATOM 195 CA GLN 216 -34.025 84.793 54.901 1.00 1.00 ATOM 196 CA ALA 217 -32.440 87.669 52.988 1.00 1.00 ATOM 197 CA LEU 218 -32.367 87.964 49.226 1.00 1.00 ATOM 198 CA GLY 219 -30.731 91.082 47.737 1.00 1.00 ATOM 199 CA GLY 220 -29.522 93.997 49.885 1.00 1.00 ATOM 200 CA ILE 221 -26.591 95.814 51.438 1.00 1.00 ATOM 201 CA SER 222 -25.638 95.165 55.048 1.00 1.00 ATOM 202 CA PHE 223 -23.244 97.666 56.550 1.00 1.00 ATOM 203 CA LYS 224 -22.164 98.396 60.113 1.00 1.00 ATOM 204 CA LYS 225 -22.309 96.818 63.532 1.00 1.00 ATOM 208 CA GLY 226 -22.056 92.742 60.175 1.00 1.00 ATOM 209 CA CYS 227 -24.303 89.731 60.779 1.00 1.00 ATOM 210 CA TYR 228 -24.445 87.799 64.071 1.00 1.00 ATOM 211 CA THR 229 -26.175 84.413 64.334 1.00 1.00 ATOM 215 CA GLY 230 -30.348 80.872 64.821 1.00 1.00 ATOM 216 CA GLN 231 -30.860 79.885 61.159 1.00 1.00 ATOM 217 CA GLU 232 -29.809 82.487 58.548 1.00 1.00 ATOM 218 CA MET 233 -29.969 82.513 54.723 1.00 1.00 ATOM 219 CA VAL 234 -28.125 85.330 52.964 1.00 1.00 ATOM 220 CA ALA 235 -28.298 85.632 49.170 1.00 1.00 ATOM 221 CA ARG 236 -27.282 88.399 46.721 1.00 1.00 ATOM 222 CA ALA 237 -26.010 90.465 49.661 1.00 1.00 ATOM 223 CA LYS 238 -22.933 92.576 50.420 1.00 1.00 ATOM 224 CA PHE 239 -21.554 92.664 54.007 1.00 1.00 ATOM 225 CA ARG 240 -19.261 95.599 54.824 1.00 1.00 ATOM 226 CA GLY 241 -18.315 97.348 58.036 1.00 1.00 ATOM 227 CA ALA 242 -18.607 100.886 56.663 1.00 1.00 ATOM 260 CA ASN 243 -13.589 92.831 66.841 1.00 1.00 ATOM 261 CA LYS 244 -15.047 93.169 63.291 1.00 1.00 ATOM 262 CA ARG 245 -16.416 90.012 61.713 1.00 1.00 ATOM 263 CA ALA 246 -18.524 90.106 58.538 1.00 1.00 ATOM 264 CA LEU 247 -20.487 87.082 59.773 1.00 1.00 ATOM 271 CA TRP 248 -25.626 80.495 58.170 1.00 1.00 ATOM 272 CA LEU 249 -25.853 80.053 54.409 1.00 1.00 ATOM 273 CA LEU 250 -24.224 82.689 52.192 1.00 1.00 ATOM 274 CA ALA 251 -25.084 82.505 48.468 1.00 1.00 ATOM 275 CA GLY 252 -23.639 84.832 45.802 1.00 1.00 ATOM 276 CA SER 253 -22.722 87.434 48.448 1.00 1.00 ATOM 277 CA ALA 254 -19.659 89.572 49.104 1.00 1.00 ATOM 278 CA SER 255 -18.084 89.727 52.585 1.00 1.00 ATOM 279 CA ARG 256 -15.315 92.236 53.354 1.00 1.00 ATOM 280 CA LEU 257 -13.432 92.181 56.644 1.00 1.00 ATOM 281 CA PRO 258 -11.420 95.037 58.116 1.00 1.00 ATOM 282 CA GLU 259 -7.691 94.673 58.718 1.00 1.00 ATOM 283 CA ALA 260 -8.515 93.578 62.275 1.00 1.00 ATOM 284 CA GLY 261 -11.096 90.749 62.344 1.00 1.00 ATOM 285 CA GLU 262 -12.357 88.138 59.871 1.00 1.00 ATOM 286 CA ASP 263 -14.917 87.670 57.096 1.00 1.00 ATOM 287 CA LEU 264 -16.438 84.768 59.044 1.00 1.00 ATOM 288 CA GLU 265 -16.057 83.660 62.681 1.00 1.00 ATOM 289 CA LEU 266 -17.335 80.247 63.787 1.00 1.00 ATOM 290 CA LYS 267 -17.891 78.812 67.269 1.00 1.00 ATOM 291 CA MET 268 -19.776 76.307 69.427 1.00 1.00 ATOM 292 CA GLY 269 -20.788 73.837 66.698 1.00 1.00 ATOM 293 CA GLU 270 -21.587 76.513 64.101 1.00 1.00 ATOM 294 CA ASN 271 -22.186 75.476 60.490 1.00 1.00 ATOM 295 CA TRP 272 -21.527 77.903 57.600 1.00 1.00 ATOM 296 CA ARG 273 -21.943 77.157 53.856 1.00 1.00 ATOM 297 CA ARG 274 -20.916 79.491 50.996 1.00 1.00 ATOM 298 CA THR 275 -21.726 78.958 47.272 1.00 1.00 ATOM 299 CA GLY 276 -20.141 81.468 44.869 1.00 1.00 ATOM 300 CA THR 277 -19.618 85.073 45.945 1.00 1.00 ATOM 301 CA VAL 278 -16.508 86.403 47.651 1.00 1.00 ATOM 302 CA LEU 279 -14.832 86.444 51.033 1.00 1.00 ATOM 303 CA ALA 280 -11.991 89.000 51.363 1.00 1.00 ATOM 327 CA VAL 282 -17.194 75.655 57.010 1.00 1.00 ATOM 328 CA LYS 283 -17.947 74.804 53.388 1.00 1.00 ATOM 329 CA LEU 284 -16.986 76.851 50.346 1.00 1.00 ATOM 330 CA GLU 285 -18.592 75.438 47.220 1.00 1.00 ATOM 331 CA ASP 286 -20.130 76.399 43.887 1.00 1.00 ATOM 332 CA GLY 287 -17.117 78.483 42.861 1.00 1.00 ATOM 333 CA GLN 288 -16.863 80.578 46.027 1.00 1.00 ATOM 334 CA VAL 289 -13.803 82.813 46.137 1.00 1.00 ATOM 335 CA VAL 290 -11.840 83.550 49.313 1.00 1.00 ATOM 336 CA VAL 291 -8.653 85.517 49.951 1.00 1.00 ATOM 337 CA GLN 292 -6.827 86.665 53.071 1.00 1.00 ATOM 356 CA ASN 296 -14.353 74.917 41.955 1.00 1.00 ATOM 357 CA ASN 297 -14.034 76.854 45.220 1.00 1.00 ATOM 358 CA ASP 298 -10.897 79.013 45.015 1.00 1.00 ATOM 359 CA MET 299 -9.411 79.863 48.393 1.00 1.00 ATOM 360 CA GLU 300 -6.143 81.640 49.102 1.00 1.00 ATOM 361 CA PRO 301 -4.257 82.048 52.378 1.00 1.00 ATOM 362 CA ASP 302 -2.575 79.911 55.067 1.00 1.00 ATOM 363 CA SER 303 -4.201 77.660 57.654 1.00 1.00 ATOM 364 CA ILE 304 -2.905 78.748 61.096 1.00 1.00 ATOM 365 CA PHE 305 -3.485 77.603 64.673 1.00 1.00 ATOM 366 CA ARG 306 -2.288 78.509 68.174 1.00 1.00 ATOM 367 CA VAL 307 0.174 75.875 69.414 1.00 1.00 ATOM 368 CA ARG 308 -1.519 74.945 72.691 1.00 1.00 ATOM 369 CA ASP 309 -3.492 76.563 75.528 1.00 1.00 ATOM 370 CA ASP 310 -2.043 73.901 77.866 1.00 1.00 ATOM 371 CA ALA 311 -4.849 71.353 77.274 1.00 1.00 ATOM 372 CA ASN 312 -2.600 68.328 76.745 1.00 1.00 ATOM 373 CA THR 313 -2.246 67.351 73.079 1.00 1.00 ATOM 374 CA LEU 314 -5.232 64.975 72.763 1.00 1.00 ATOM 375 CA HIS 315 -7.458 67.548 74.491 1.00 1.00 ATOM 376 CA ILE 316 -7.231 69.538 71.263 1.00 1.00 ATOM 377 CA GLU 317 -9.854 69.015 68.569 1.00 1.00 ATOM 378 CA PRO 318 -8.572 68.123 65.107 1.00 1.00 ATOM 379 CA LEU 319 -8.418 70.477 62.138 1.00 1.00 ATOM 380 CA PRO 320 -9.579 68.487 59.102 1.00 1.00 ATOM 381 CA TYR 321 -9.818 69.890 55.574 1.00 1.00 ATOM 382 CA SER 322 -11.163 68.388 52.380 1.00 1.00 ATOM 383 CA LEU 323 -10.732 69.556 48.796 1.00 1.00 ATOM 384 CA GLU 324 -12.928 68.094 46.072 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 20:02:22 2002 Date: Thu, 25 Jul 2002 20:02:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0146 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 19:34:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_468257_15607 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0146TS007_2 Current information on models submitted in prediction T0146TS007 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_2 PIN_468257_15607 6269-7633-6117 07/25/02 19:34:45 casp5@bialko.llnl.gov T0146TS007_4 PIN_436717_15592 6269-7633-6117 07/25/02 19:30:46 casp5@bialko.llnl.gov T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 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 T0146 MODEL_INDEX PIN CODE DATE E-mail T0146TS007_1 PIN_414706_15585 6269-7633-6117 07/25/02 19:29:01 casp5@bialko.llnl.gov T0146TS007_2 PIN_468257_15607 6269-7633-6117 07/25/02 19:34:45 casp5@bialko.llnl.gov T0146TS007_3 PIN_417681_15586 6269-7633-6117 07/25/02 19:29:16 casp5@bialko.llnl.gov T0146TS007_4 PIN_436717_15592 6269-7633-6117 07/25/02 19:30:46 casp5@bialko.llnl.gov T0146TS007_5 PIN_415229_15587 6269-7633-6117 07/25/02 19:29:31 casp5@bialko.llnl.gov T0146SS007_1 PIN_589795_11786 6269-7633-6117 07/05/02 10:47:13 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 T0146 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1I36_A # Loading PARENT structure: 1i36 (chain: A) # Number of residues in PARENT structure: 258 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # 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 R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue R 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue F 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue P 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 186 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue L 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue E 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue D 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue A 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue P 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue T 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue M 233 # IMPORTANT NOTE! Not complete main chain atoms for residue V 234 # IMPORTANT NOTE! Not complete main chain atoms for residue A 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue F 239 # IMPORTANT NOTE! Not complete main chain atoms for residue R 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue N 243 # IMPORTANT NOTE! Not complete main chain atoms for residue K 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 245 # IMPORTANT NOTE! Not complete main chain atoms for residue A 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue W 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue L 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # IMPORTANT NOTE! Not complete main chain atoms for residue G 252 # IMPORTANT NOTE! Not complete main chain atoms for residue S 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue S 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue P 258 # IMPORTANT NOTE! Not complete main chain atoms for residue E 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue E 262 # IMPORTANT NOTE! Not complete main chain atoms for residue D 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue E 265 # IMPORTANT NOTE! Not complete main chain atoms for residue L 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue M 268 # IMPORTANT NOTE! Not complete main chain atoms for residue G 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue N 271 # IMPORTANT NOTE! Not complete main chain atoms for residue W 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 273 # IMPORTANT NOTE! Not complete main chain atoms for residue R 274 # IMPORTANT NOTE! Not complete main chain atoms for residue T 275 # IMPORTANT NOTE! Not complete main chain atoms for residue G 276 # IMPORTANT NOTE! Not complete main chain atoms for residue T 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0146 # Total number of residues in target: 325 # Total number of residues in model: 113 # Total number of atoms in model: 113 # Number of atoms with 1.0 occupancy: 113 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 113 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0146 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1I36_A ATOM 60 CA VAL 102 56.671 50.667 50.014 1.00 1.00 ATOM 61 CA PHE 103 54.828 47.356 50.454 1.00 1.00 ATOM 62 CA SER 104 54.802 45.591 53.841 1.00 1.00 ATOM 63 CA LYS 105 54.345 41.835 53.322 1.00 1.00 ATOM 64 CA VAL 106 55.720 40.416 56.569 1.00 1.00 ATOM 65 CA THR 107 53.760 38.264 59.062 1.00 1.00 ATOM 66 CA ILE 108 50.680 39.389 61.040 1.00 1.00 ATOM 67 CA ALA 109 52.580 39.408 64.345 1.00 1.00 ATOM 68 CA PRO 110 55.249 41.736 62.866 1.00 1.00 ATOM 69 CA ASP 112 52.981 44.209 60.972 1.00 1.00 ATOM 70 CA GLU 113 52.708 46.913 63.658 1.00 1.00 ATOM 71 CA ARG 114 56.416 46.846 64.431 1.00 1.00 ATOM 72 CA VAL 115 57.263 47.118 60.729 1.00 1.00 ATOM 73 CA LEU 116 54.950 50.139 60.382 1.00 1.00 ATOM 74 CA LEU 117 56.410 51.843 63.480 1.00 1.00 ATOM 75 CA GLY 118 59.901 51.522 61.931 1.00 1.00 ATOM 76 CA VAL 119 58.888 52.509 58.407 1.00 1.00 ATOM 77 CA ALA 120 56.666 55.358 59.613 1.00 1.00 ATOM 78 CA GLY 121 59.614 57.442 60.813 1.00 1.00 ATOM 79 CA PHE 122 60.797 57.616 57.195 1.00 1.00 ATOM 80 CA GLN 123 58.220 56.809 54.488 1.00 1.00 ATOM 81 CA ALA 124 56.923 59.865 52.657 1.00 1.00 ATOM 82 CA ARG 125 55.441 58.032 49.667 1.00 1.00 ATOM 83 CA ALA 127 52.710 55.385 49.935 1.00 1.00 ATOM 84 CA LEU 128 52.907 52.544 52.460 1.00 1.00 ATOM 85 CA ALA 129 50.860 49.506 51.369 1.00 1.00 ATOM 86 CA ASN 130 50.060 47.051 54.125 1.00 1.00 ATOM 87 CA LEU 131 49.063 43.668 52.734 1.00 1.00 ATOM 88 CA PHE 132 49.310 41.681 55.967 1.00 1.00 ATOM 89 CA SER 133 46.493 39.533 57.337 1.00 1.00 ATOM 90 CA GLU 134 45.642 41.718 60.328 1.00 1.00 ATOM 91 CA LEU 135 42.316 42.932 61.698 1.00 1.00 ATOM 92 CA PRO 136 40.719 46.119 60.375 1.00 1.00 ATOM 93 CA SER 137 41.439 47.890 63.686 1.00 1.00 ATOM 94 CA ASN 184 45.110 46.754 63.560 1.00 1.00 ATOM 95 CA SER 185 45.272 48.217 60.015 1.00 1.00 ATOM 96 CA GLN 186 43.865 51.554 61.292 1.00 1.00 ATOM 97 CA GLN 187 46.593 51.603 63.998 1.00 1.00 ATOM 98 CA TRP 188 49.293 50.727 61.472 1.00 1.00 ATOM 99 CA LEU 189 47.966 53.677 59.437 1.00 1.00 ATOM 100 CA ALA 190 48.484 56.025 62.414 1.00 1.00 ATOM 101 CA LEU 191 52.168 54.914 62.496 1.00 1.00 ATOM 102 CA ASN 192 52.872 56.142 58.929 1.00 1.00 ATOM 103 CA GLU 194 53.013 59.795 60.137 1.00 1.00 ATOM 104 CA GLY 196 54.497 61.377 57.016 1.00 1.00 ATOM 105 CA PHE 197 53.181 59.176 54.233 1.00 1.00 ATOM 106 CA PRO 198 50.003 57.887 52.686 1.00 1.00 ATOM 107 CA VAL 199 48.724 54.515 53.891 1.00 1.00 ATOM 108 CA ILE 200 46.897 51.951 51.750 1.00 1.00 ATOM 109 CA ASP 201 45.074 48.897 53.168 1.00 1.00 ATOM 110 CA ALA 202 45.550 46.232 50.422 1.00 1.00 ATOM 111 CA ALA 203 43.785 42.849 50.817 1.00 1.00 ATOM 112 CA ASN 204 44.567 39.751 48.740 1.00 1.00 ATOM 113 CA SER 205 41.247 38.255 47.587 1.00 1.00 ATOM 114 CA GLY 206 42.393 34.775 46.659 1.00 1.00 ATOM 115 CA GLN 207 45.238 32.284 46.545 1.00 1.00 ATOM 116 CA PHE 208 48.704 33.707 45.831 1.00 1.00 ATOM 117 CA ILE 209 49.842 30.104 45.243 1.00 1.00 ATOM 118 CA PRO 210 47.222 29.342 42.615 1.00 1.00 ATOM 119 CA GLN 211 46.717 32.702 40.932 1.00 1.00 ATOM 120 CA ALA 212 50.210 34.159 41.153 1.00 1.00 ATOM 121 CA THR 213 50.585 37.884 40.461 1.00 1.00 ATOM 122 CA GLY 230 47.182 37.821 38.684 1.00 1.00 ATOM 123 CA GLN 231 45.501 37.698 42.076 1.00 1.00 ATOM 124 CA GLU 232 42.798 40.280 42.658 1.00 1.00 ATOM 125 CA MET 233 43.870 42.733 45.342 1.00 1.00 ATOM 126 CA VAL 234 41.392 45.251 46.737 1.00 1.00 ATOM 127 CA ALA 235 42.761 48.490 48.261 1.00 1.00 ATOM 128 CA ARG 236 41.291 51.232 50.410 1.00 1.00 ATOM 129 CA ALA 237 42.423 54.672 51.571 1.00 1.00 ATOM 130 CA LYS 238 42.863 58.124 49.983 1.00 1.00 ATOM 131 CA PHE 239 45.967 56.980 48.217 1.00 1.00 ATOM 132 CA ARG 240 44.478 53.672 46.999 1.00 1.00 ATOM 133 CA GLY 241 44.101 55.013 43.443 1.00 1.00 ATOM 134 CA ALA 242 47.803 55.839 43.450 1.00 1.00 ATOM 135 CA ASN 243 48.717 52.243 44.446 1.00 1.00 ATOM 136 CA LYS 244 46.331 51.044 41.680 1.00 1.00 ATOM 137 CA ARG 245 48.647 52.644 39.086 1.00 1.00 ATOM 138 CA ALA 246 50.813 49.515 39.618 1.00 1.00 ATOM 139 CA LEU 247 48.215 47.778 37.404 1.00 1.00 ATOM 140 CA TRP 248 50.238 49.325 34.532 1.00 1.00 ATOM 141 CA LEU 249 52.973 46.950 35.621 1.00 1.00 ATOM 142 CA LEU 250 51.083 43.650 35.722 1.00 1.00 ATOM 143 CA ALA 251 49.108 43.760 38.954 1.00 1.00 ATOM 144 CA GLY 252 45.334 43.377 39.378 1.00 1.00 ATOM 145 CA SER 253 44.302 46.011 41.948 1.00 1.00 ATOM 146 CA ALA 254 40.810 47.416 42.457 1.00 1.00 ATOM 147 CA SER 255 39.883 50.272 44.830 1.00 1.00 ATOM 148 CA ARG 256 37.092 49.622 47.374 1.00 1.00 ATOM 149 CA LEU 257 35.816 51.480 50.429 1.00 1.00 ATOM 150 CA PRO 258 37.261 54.868 51.411 1.00 1.00 ATOM 151 CA GLU 259 39.768 54.526 54.255 1.00 1.00 ATOM 152 CA ALA 260 42.387 52.191 55.775 1.00 1.00 ATOM 153 CA GLY 261 40.609 49.201 57.259 1.00 1.00 ATOM 154 CA GLU 262 37.849 48.986 54.591 1.00 1.00 ATOM 155 CA ASP 263 39.669 46.546 52.287 1.00 1.00 ATOM 156 CA LEU 264 40.634 44.253 55.191 1.00 1.00 ATOM 157 CA GLU 265 37.041 44.465 56.515 1.00 1.00 ATOM 158 CA LEU 266 35.604 43.531 53.121 1.00 1.00 ATOM 159 CA LYS 267 37.988 40.562 52.861 1.00 1.00 ATOM 160 CA MET 268 37.137 39.312 56.375 1.00 1.00 ATOM 161 CA GLY 269 33.386 39.773 55.762 1.00 1.00 ATOM 162 CA GLU 270 33.504 37.742 52.545 1.00 1.00 ATOM 163 CA ASN 271 35.507 35.097 54.391 1.00 1.00 ATOM 164 CA TRP 272 33.037 35.080 57.266 1.00 1.00 ATOM 165 CA ARG 273 30.110 34.498 54.889 1.00 1.00 ATOM 166 CA ARG 274 31.710 31.802 52.721 1.00 1.00 ATOM 167 CA THR 275 32.957 29.839 55.749 1.00 1.00 ATOM 168 CA GLY 276 29.553 30.121 57.448 1.00 1.00 ATOM 169 CA THR 277 27.775 28.690 54.342 1.00 1.00 ATOM 170 CA VAL 278 30.266 25.762 54.290 1.00 1.00 ATOM 171 CA LEU 279 29.383 24.950 57.887 1.00 1.00 ATOM 172 CA ALA 280 25.620 25.306 57.250 1.00 1.00 TER END ################################ # # # END # # # ################################