From mailer@bialko.llnl.gov Tue Jul 16 08:30:29 2002 Date: Tue, 16 Jul 2002 08:30:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 08:03:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_149475_12176 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154SS007_1 Current information on models submitted in prediction T0154SS007 MODEL_INDEX PIN CODE DATE E-mail T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 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: 309 # Number of residues with nonzero confidence: 309 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0154 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-21247.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-20628//target-align-20628.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 17.3501 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-21247.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc62.27156/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Jul 15 16:56:12 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-20628//target-align-20628.a2m METHOD METHOD guide seq name: seed-seqs-21247.a2m(1), 309 bases, 5374F53F checksum. METHOD ###end 0 MODEL 1 M C 0.687 T C 0.577 I C 0.536 P C 0.512 A C 0.473 F C 0.469 H C 0.562 P C 0.571 G C 0.6 E C 0.513 L C 0.478 N E 0.372 V E 0.457 Y E 0.409 S C 0.4 A C 0.511 P H 0.741 G H 0.773 D H 0.783 V H 0.793 A H 0.799 D H 0.796 V H 0.788 S H 0.78 R H 0.778 A H 0.767 L H 0.728 R H 0.696 L H 0.671 T H 0.535 G C 0.67 R C 0.619 R E 0.512 V E 0.645 M E 0.641 L E 0.642 V E 0.578 P C 0.407 T C 0.483 M H 0.479 G H 0.542 A H 0.579 L H 0.603 H H 0.637 E H 0.668 G H 0.639 H H 0.657 L H 0.706 A H 0.717 L H 0.73 V H 0.731 R H 0.736 A H 0.74 A H 0.709 K H 0.667 R H 0.601 V C 0.459 P C 0.582 G C 0.644 S C 0.629 V E 0.568 V E 0.733 V E 0.775 V E 0.763 S E 0.73 I E 0.706 F E 0.623 V E 0.48 N C 0.677 P C 0.522 M C 0.436 Q C 0.427 F C 0.562 G C 0.716 A C 0.675 G H 0.514 E H 0.579 D H 0.558 L H 0.565 D H 0.523 A H 0.496 Y C 0.644 P C 0.66 R C 0.605 T C 0.614 P H 0.5 D H 0.603 D H 0.636 D H 0.625 L H 0.714 A H 0.713 Q H 0.712 L H 0.706 R H 0.691 A H 0.682 E H 0.536 G C 0.66 V C 0.63 E C 0.53 I E 0.656 A E 0.692 F E 0.651 T C 0.451 P C 0.669 T C 0.683 T H 0.481 A H 0.487 A H 0.468 M C 0.443 Y C 0.559 P C 0.618 D C 0.634 G C 0.643 L C 0.564 R C 0.467 T E 0.474 T E 0.538 V E 0.523 Q C 0.416 P C 0.5 G C 0.563 P C 0.535 L H 0.418 A H 0.441 A H 0.448 E H 0.398 L H 0.398 E C 0.49 G C 0.638 G C 0.652 P C 0.649 R C 0.719 P C 0.679 T C 0.601 H C 0.512 F C 0.451 A C 0.436 G C 0.378 V H 0.454 L H 0.507 T H 0.534 V H 0.551 V H 0.566 L H 0.579 K H 0.586 L H 0.576 L H 0.551 Q H 0.469 I H 0.399 V C 0.425 R C 0.66 P C 0.541 D C 0.507 R H 0.462 V H 0.419 F H 0.406 F C 0.376 G C 0.678 E C 0.58 K C 0.502 D H 0.594 Y H 0.735 Q H 0.748 Q H 0.751 L H 0.745 V H 0.736 L H 0.733 I H 0.742 R H 0.748 Q H 0.75 L H 0.744 V H 0.742 A H 0.735 D H 0.71 F H 0.601 N C 0.564 L C 0.623 D C 0.605 V E 0.529 A E 0.608 V E 0.651 V E 0.618 G E 0.542 V E 0.41 P C 0.422 T E 0.468 V E 0.462 R E 0.405 E C 0.401 A C 0.538 D C 0.605 G C 0.607 L C 0.445 A C 0.377 M E 0.368 S C 0.443 S C 0.506 R C 0.468 N C 0.448 R C 0.42 Y C 0.432 L C 0.508 D C 0.618 P H 0.655 A H 0.695 Q H 0.72 R H 0.746 A H 0.763 A H 0.768 A H 0.767 V H 0.773 A H 0.768 L H 0.775 S H 0.786 A H 0.803 A H 0.794 L H 0.793 T H 0.781 A H 0.772 A H 0.76 A H 0.769 H H 0.76 A H 0.747 A H 0.736 T H 0.71 A H 0.65 G C 0.594 A C 0.498 Q H 0.527 A H 0.561 A H 0.712 L H 0.751 D H 0.767 A H 0.769 A H 0.777 R H 0.78 A H 0.769 V H 0.757 L H 0.753 D H 0.728 A H 0.679 A H 0.568 P C 0.5 G C 0.582 V C 0.534 A C 0.381 V E 0.417 D E 0.444 Y E 0.543 L E 0.57 E E 0.566 L E 0.553 R E 0.471 D C 0.466 I C 0.584 G C 0.6 L C 0.569 G C 0.564 P C 0.553 M C 0.532 P C 0.504 L C 0.519 N C 0.518 G C 0.518 S C 0.488 G H 0.446 R H 0.492 L H 0.548 L H 0.593 V H 0.64 A H 0.662 A H 0.677 R H 0.662 L H 0.624 G H 0.453 T C 0.518 T C 0.36 R E 0.474 L E 0.52 L E 0.471 D C 0.364 N C 0.495 I C 0.469 A E 0.38 I C 0.42 E C 0.52 I C 0.515 G C 0.502 T C 0.467 F C 0.461 A C 0.446 G C 0.472 T C 0.463 D C 0.5 R C 0.519 P C 0.514 D C 0.483 G H 0.423 Y H 0.454 R H 0.471 A H 0.465 I H 0.43 L C 0.475 E C 0.455 S C 0.456 H C 0.492 W H 0.475 R C 0.446 N C 0.956 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:43:29 2002 Date: Tue, 30 Jul 2002 06:43:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:16:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_297595_17536 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS007_1 Current information on models submitted in prediction T0154TS007 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1IHO_B # Loading PARENT structure: 1iho (chain: B) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue A 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue P 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue V 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue P 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue R 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue A 194 # IMPORTANT NOTE! Not complete main chain atoms for residue M 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue A 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue V 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue S 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue A 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue H 222 # IMPORTANT NOTE! Not complete main chain atoms for residue A 223 # IMPORTANT NOTE! Not complete main chain atoms for residue A 224 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue A 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 229 # IMPORTANT NOTE! Not complete main chain atoms for residue A 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue L 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue P 243 # IMPORTANT NOTE! Not complete main chain atoms for residue G 244 # IMPORTANT NOTE! Not complete main chain atoms for residue V 245 # IMPORTANT NOTE! Not complete main chain atoms for residue A 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue D 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 249 # IMPORTANT NOTE! Not complete main chain atoms for residue L 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue D 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue G 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue P 259 # IMPORTANT NOTE! Not complete main chain atoms for residue M 260 # IMPORTANT NOTE! Not complete main chain atoms for residue P 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue N 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue R 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue T 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue D 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue A 284 # IMPORTANT NOTE! Not complete main chain atoms for residue I 285 # IMPORTANT NOTE! Not complete main chain atoms for residue E 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 276 # Total number of atoms in model: 276 # Number of atoms with 1.0 occupancy: 276 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 276 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1IHO_B ATOM 1 CA LEU 11 58.125 -22.156 11.060 1.00 1.00 ATOM 2 CA ASN 12 57.377 -20.376 7.828 1.00 1.00 ATOM 3 CA VAL 13 59.892 -18.155 6.070 1.00 1.00 ATOM 4 CA TYR 14 58.300 -15.648 3.702 1.00 1.00 ATOM 5 CA SER 15 60.210 -13.387 1.330 1.00 1.00 ATOM 6 CA ALA 16 57.668 -11.689 -0.836 1.00 1.00 ATOM 7 CA PRO 17 54.732 -9.339 -0.267 1.00 1.00 ATOM 8 CA GLY 18 52.045 -11.403 -2.069 1.00 1.00 ATOM 9 CA ASP 19 52.958 -14.525 -0.038 1.00 1.00 ATOM 10 CA VAL 20 53.043 -12.599 3.232 1.00 1.00 ATOM 11 CA ALA 21 49.634 -11.129 2.463 1.00 1.00 ATOM 12 CA ASP 22 48.368 -14.657 1.916 1.00 1.00 ATOM 13 CA VAL 23 49.528 -15.673 5.366 1.00 1.00 ATOM 14 CA SER 24 48.041 -12.595 7.007 1.00 1.00 ATOM 15 CA ARG 25 44.684 -13.364 5.410 1.00 1.00 ATOM 16 CA ALA 26 44.920 -16.930 6.722 1.00 1.00 ATOM 17 CA LEU 27 45.577 -15.765 10.293 1.00 1.00 ATOM 18 CA ARG 28 42.641 -13.408 10.097 1.00 1.00 ATOM 19 CA LEU 29 40.394 -16.243 8.966 1.00 1.00 ATOM 20 CA THR 30 41.671 -18.398 11.827 1.00 1.00 ATOM 21 CA GLY 31 40.917 -15.584 14.317 1.00 1.00 ATOM 22 CA ARG 32 44.440 -15.492 15.677 1.00 1.00 ATOM 23 CA ARG 33 45.920 -12.435 17.400 1.00 1.00 ATOM 24 CA VAL 34 49.257 -11.517 15.954 1.00 1.00 ATOM 25 CA MET 35 52.328 -9.999 17.541 1.00 1.00 ATOM 26 CA LEU 36 55.045 -8.476 15.371 1.00 1.00 ATOM 27 CA VAL 37 58.725 -8.162 16.389 1.00 1.00 ATOM 28 CA PRO 38 60.566 -5.964 13.876 1.00 1.00 ATOM 29 CA THR 39 64.346 -6.544 13.622 1.00 1.00 ATOM 30 CA MET 40 67.324 -5.982 11.364 1.00 1.00 ATOM 31 CA GLY 41 68.579 -9.531 12.021 1.00 1.00 ATOM 32 CA ALA 42 71.860 -10.570 13.613 1.00 1.00 ATOM 33 CA LEU 43 69.812 -11.772 16.522 1.00 1.00 ATOM 34 CA HIS 44 71.091 -12.411 20.046 1.00 1.00 ATOM 35 CA GLU 45 69.423 -13.260 23.406 1.00 1.00 ATOM 36 CA GLY 46 67.844 -9.826 23.923 1.00 1.00 ATOM 37 CA HIS 47 65.980 -10.341 20.641 1.00 1.00 ATOM 38 CA LEU 48 64.838 -13.717 21.971 1.00 1.00 ATOM 39 CA ALA 49 63.381 -11.854 24.972 1.00 1.00 ATOM 40 CA LEU 50 61.271 -9.727 22.638 1.00 1.00 ATOM 41 CA VAL 51 59.996 -12.919 21.040 1.00 1.00 ATOM 42 CA ARG 52 59.115 -14.482 24.374 1.00 1.00 ATOM 43 CA ALA 53 57.147 -11.349 25.321 1.00 1.00 ATOM 44 CA ALA 54 55.284 -11.517 21.978 1.00 1.00 ATOM 45 CA LYS 55 54.498 -15.186 22.492 1.00 1.00 ATOM 46 CA ARG 56 53.039 -14.457 25.895 1.00 1.00 ATOM 47 CA PRO 58 50.722 -11.751 24.609 1.00 1.00 ATOM 48 CA GLY 59 49.414 -13.173 21.323 1.00 1.00 ATOM 49 CA SER 60 48.516 -16.418 19.546 1.00 1.00 ATOM 50 CA VAL 61 51.009 -16.018 16.763 1.00 1.00 ATOM 51 CA VAL 62 54.410 -14.339 16.525 1.00 1.00 ATOM 52 CA VAL 63 55.758 -12.777 13.322 1.00 1.00 ATOM 53 CA VAL 64 59.400 -11.685 13.270 1.00 1.00 ATOM 54 CA SER 65 60.638 -9.433 10.486 1.00 1.00 ATOM 55 CA ILE 66 64.301 -9.449 9.481 1.00 1.00 ATOM 56 CA PHE 67 65.202 -6.637 7.188 1.00 1.00 ATOM 57 CA VAL 68 68.310 -4.472 6.995 1.00 1.00 ATOM 58 CA ASN 69 66.604 -1.251 6.037 1.00 1.00 ATOM 59 CA PRO 70 68.798 0.938 3.828 1.00 1.00 ATOM 60 CA MET 71 66.687 4.004 4.633 1.00 1.00 ATOM 61 CA GLN 72 67.980 4.179 8.184 1.00 1.00 ATOM 62 CA PHE 73 71.690 3.890 7.244 1.00 1.00 ATOM 63 CA GLY 74 73.955 6.979 7.063 1.00 1.00 ATOM 64 CA ALA 75 76.332 5.729 4.394 1.00 1.00 ATOM 65 CA GLY 76 76.418 2.801 1.962 1.00 1.00 ATOM 66 CA GLU 77 79.541 1.646 3.773 1.00 1.00 ATOM 67 CA ASP 78 77.669 1.110 7.006 1.00 1.00 ATOM 68 CA LEU 79 74.880 -0.746 5.203 1.00 1.00 ATOM 69 CA ASP 80 77.102 -3.093 3.229 1.00 1.00 ATOM 70 CA ALA 81 79.099 -3.851 6.356 1.00 1.00 ATOM 71 CA TYR 82 76.102 -4.584 8.557 1.00 1.00 ATOM 72 CA PRO 83 76.159 -8.239 9.581 1.00 1.00 ATOM 73 CA ARG 84 73.723 -10.441 7.704 1.00 1.00 ATOM 74 CA THR 85 73.174 -13.830 9.300 1.00 1.00 ATOM 75 CA PRO 86 69.782 -15.066 8.161 1.00 1.00 ATOM 76 CA ASP 87 70.408 -18.769 8.608 1.00 1.00 ATOM 77 CA ASP 88 71.601 -18.444 12.187 1.00 1.00 ATOM 78 CA ASP 89 68.830 -15.982 12.961 1.00 1.00 ATOM 79 CA LEU 90 66.276 -18.476 11.665 1.00 1.00 ATOM 80 CA ALA 91 67.694 -21.351 13.700 1.00 1.00 ATOM 81 CA GLN 92 67.225 -19.238 16.811 1.00 1.00 ATOM 82 CA LEU 93 63.652 -18.235 16.076 1.00 1.00 ATOM 83 CA ARG 94 62.685 -21.840 15.291 1.00 1.00 ATOM 84 CA ALA 95 63.860 -22.941 18.719 1.00 1.00 ATOM 85 CA GLU 96 61.709 -20.179 20.175 1.00 1.00 ATOM 86 CA GLY 97 58.659 -21.549 18.343 1.00 1.00 ATOM 87 CA VAL 98 58.122 -18.453 16.194 1.00 1.00 ATOM 88 CA GLU 99 55.363 -18.984 13.649 1.00 1.00 ATOM 89 CA ILE 100 56.494 -16.838 10.760 1.00 1.00 ATOM 90 CA ALA 101 59.664 -15.001 9.656 1.00 1.00 ATOM 91 CA PHE 102 59.362 -12.229 7.092 1.00 1.00 ATOM 92 CA THR 103 62.727 -11.693 5.334 1.00 1.00 ATOM 93 CA PRO 104 62.271 -9.648 2.187 1.00 1.00 ATOM 94 CA THR 105 64.970 -8.453 -0.146 1.00 1.00 ATOM 95 CA THR 106 65.684 -4.784 -0.679 1.00 1.00 ATOM 96 CA ALA 107 64.165 -4.848 -4.135 1.00 1.00 ATOM 97 CA ALA 108 60.949 -6.415 -2.698 1.00 1.00 ATOM 98 CA MET 109 60.586 -3.507 -0.270 1.00 1.00 ATOM 99 CA TYR 110 62.181 -0.758 -2.353 1.00 1.00 ATOM 100 CA PRO 111 61.815 -1.825 -5.981 1.00 1.00 ATOM 101 CA ASP 112 62.390 1.745 -7.112 1.00 1.00 ATOM 102 CA GLY 113 64.960 2.674 -4.456 1.00 1.00 ATOM 103 CA LEU 114 64.482 4.629 -1.212 1.00 1.00 ATOM 104 CA ARG 115 64.874 8.192 -2.490 1.00 1.00 ATOM 107 CA THR 116 56.858 7.489 0.282 1.00 1.00 ATOM 108 CA THR 117 58.039 8.308 3.757 1.00 1.00 ATOM 109 CA VAL 118 56.696 8.896 7.261 1.00 1.00 ATOM 110 CA GLN 119 58.294 11.530 9.503 1.00 1.00 ATOM 111 CA PRO 120 57.667 12.200 13.158 1.00 1.00 ATOM 112 CA GLY 121 58.441 15.843 13.986 1.00 1.00 ATOM 113 CA PRO 122 60.606 16.647 16.971 1.00 1.00 ATOM 114 CA LEU 123 61.518 13.121 18.022 1.00 1.00 ATOM 115 CA ALA 124 63.269 12.438 14.770 1.00 1.00 ATOM 116 CA ALA 125 65.601 15.369 14.961 1.00 1.00 ATOM 117 CA GLU 126 66.555 15.564 18.624 1.00 1.00 ATOM 118 CA LEU 127 69.371 13.779 20.439 1.00 1.00 ATOM 119 CA GLU 128 70.736 11.010 18.249 1.00 1.00 ATOM 120 CA GLY 129 68.488 12.352 15.508 1.00 1.00 ATOM 121 CA GLY 130 70.294 15.687 15.357 1.00 1.00 ATOM 122 CA PRO 131 73.551 14.237 14.048 1.00 1.00 ATOM 123 CA ARG 132 71.899 11.587 11.844 1.00 1.00 ATOM 124 CA PRO 133 69.615 13.295 9.360 1.00 1.00 ATOM 125 CA THR 134 67.156 10.896 7.794 1.00 1.00 ATOM 126 CA HIS 135 67.816 8.063 10.210 1.00 1.00 ATOM 127 CA PHE 136 64.619 8.073 12.266 1.00 1.00 ATOM 128 CA ALA 137 62.596 8.880 9.125 1.00 1.00 ATOM 129 CA GLY 138 64.000 5.567 7.841 1.00 1.00 ATOM 130 CA VAL 139 62.695 3.837 10.937 1.00 1.00 ATOM 131 CA LEU 140 59.229 5.363 11.020 1.00 1.00 ATOM 132 CA THR 141 58.922 4.576 7.307 1.00 1.00 ATOM 133 CA VAL 142 59.791 0.911 7.497 1.00 1.00 ATOM 134 CA VAL 143 57.830 0.313 10.661 1.00 1.00 ATOM 135 CA LEU 144 54.682 1.901 9.182 1.00 1.00 ATOM 136 CA LYS 145 55.101 -0.289 6.071 1.00 1.00 ATOM 137 CA LEU 146 55.535 -3.438 8.229 1.00 1.00 ATOM 138 CA LEU 147 52.447 -2.540 10.202 1.00 1.00 ATOM 139 CA GLN 148 50.445 -2.159 7.030 1.00 1.00 ATOM 140 CA ILE 149 51.782 -5.428 5.636 1.00 1.00 ATOM 141 CA VAL 150 51.452 -7.598 8.798 1.00 1.00 ATOM 142 CA ARG 151 48.469 -5.835 10.457 1.00 1.00 ATOM 143 CA PRO 152 49.489 -7.049 13.888 1.00 1.00 ATOM 144 CA ASP 153 47.498 -6.545 17.109 1.00 1.00 ATOM 145 CA ARG 154 50.678 -5.972 19.121 1.00 1.00 ATOM 146 CA VAL 155 54.253 -4.963 18.257 1.00 1.00 ATOM 147 CA PHE 156 57.257 -5.419 20.585 1.00 1.00 ATOM 148 CA PHE 157 60.234 -3.140 20.855 1.00 1.00 ATOM 149 CA GLY 158 63.207 -3.102 23.251 1.00 1.00 ATOM 150 CA GLU 159 63.465 -0.393 25.936 1.00 1.00 ATOM 151 CA LYS 160 67.192 0.116 25.266 1.00 1.00 ATOM 152 CA ASP 161 66.451 2.034 22.080 1.00 1.00 ATOM 153 CA TYR 162 64.351 4.502 24.027 1.00 1.00 ATOM 154 CA GLN 163 64.369 6.989 21.174 1.00 1.00 ATOM 155 CA GLN 164 62.930 4.484 18.699 1.00 1.00 ATOM 156 CA LEU 165 60.270 3.439 21.209 1.00 1.00 ATOM 157 CA VAL 166 59.080 7.015 21.728 1.00 1.00 ATOM 158 CA LEU 167 59.195 7.579 17.950 1.00 1.00 ATOM 159 CA ILE 168 56.962 4.569 17.202 1.00 1.00 ATOM 160 CA ARG 169 54.548 5.289 20.067 1.00 1.00 ATOM 161 CA GLN 170 54.065 8.844 18.697 1.00 1.00 ATOM 162 CA LEU 171 53.732 7.587 15.112 1.00 1.00 ATOM 163 CA VAL 172 51.079 5.103 16.213 1.00 1.00 ATOM 164 CA ALA 173 49.082 7.671 18.180 1.00 1.00 ATOM 165 CA ASP 174 49.226 10.254 15.407 1.00 1.00 ATOM 166 CA PHE 175 48.670 8.005 12.386 1.00 1.00 ATOM 167 CA ASN 176 45.788 6.004 13.977 1.00 1.00 ATOM 168 CA LEU 177 47.165 2.492 13.936 1.00 1.00 ATOM 169 CA ASP 178 45.107 0.105 16.044 1.00 1.00 ATOM 170 CA VAL 179 48.180 -1.565 17.494 1.00 1.00 ATOM 171 CA ALA 180 49.402 -1.999 21.074 1.00 1.00 ATOM 172 CA VAL 181 53.063 -1.012 21.345 1.00 1.00 ATOM 173 CA VAL 182 54.904 -3.012 24.000 1.00 1.00 ATOM 174 CA GLY 183 58.240 -1.823 25.387 1.00 1.00 ATOM 175 CA VAL 184 60.286 -4.763 26.645 1.00 1.00 ATOM 176 CA PRO 185 62.716 -4.119 29.493 1.00 1.00 ATOM 177 CA THR 186 66.290 -5.070 28.791 1.00 1.00 ATOM 178 CA VAL 187 67.618 -8.448 29.624 1.00 1.00 ATOM 179 CA ARG 188 69.069 -8.973 33.048 1.00 1.00 ATOM 180 CA GLU 189 70.743 -11.563 35.218 1.00 1.00 ATOM 181 CA ALA 190 68.809 -12.907 38.196 1.00 1.00 ATOM 182 CA ASP 191 70.941 -10.669 40.402 1.00 1.00 ATOM 183 CA GLY 192 69.888 -7.636 38.381 1.00 1.00 ATOM 184 CA LEU 193 73.007 -7.060 36.303 1.00 1.00 ATOM 185 CA ALA 194 72.189 -5.819 32.804 1.00 1.00 ATOM 186 CA MET 195 73.608 -8.320 30.367 1.00 1.00 ATOM 187 CA SER 196 76.349 -6.966 28.127 1.00 1.00 ATOM 188 CA SER 197 79.375 -8.036 26.126 1.00 1.00 ATOM 189 CA ARG 198 81.359 -5.594 28.299 1.00 1.00 ATOM 190 CA ASN 199 80.500 -7.646 31.355 1.00 1.00 ATOM 191 CA ARG 200 83.221 -10.078 30.189 1.00 1.00 ATOM 192 CA TYR 201 85.914 -7.607 31.189 1.00 1.00 ATOM 193 CA LEU 202 84.543 -7.877 34.738 1.00 1.00 ATOM 194 CA ASP 203 86.822 -9.722 37.143 1.00 1.00 ATOM 195 CA PRO 204 85.179 -12.055 39.655 1.00 1.00 ATOM 196 CA ALA 205 85.098 -9.370 42.327 1.00 1.00 ATOM 197 CA GLN 206 83.750 -6.555 40.138 1.00 1.00 ATOM 198 CA ARG 207 81.033 -8.953 38.957 1.00 1.00 ATOM 199 CA ALA 208 80.110 -9.116 42.648 1.00 1.00 ATOM 200 CA ALA 209 79.869 -5.343 42.989 1.00 1.00 ATOM 201 CA ALA 210 78.202 -4.741 39.590 1.00 1.00 ATOM 202 CA VAL 211 74.548 -5.483 40.609 1.00 1.00 ATOM 203 CA ALA 212 74.696 -2.299 42.778 1.00 1.00 ATOM 204 CA LEU 213 74.143 -0.180 39.633 1.00 1.00 ATOM 205 CA SER 214 70.699 -1.597 39.033 1.00 1.00 ATOM 206 CA ALA 215 69.919 -1.150 42.751 1.00 1.00 ATOM 207 CA ALA 216 70.623 2.558 42.483 1.00 1.00 ATOM 208 CA LEU 217 68.651 2.830 39.210 1.00 1.00 ATOM 209 CA THR 218 65.745 1.052 40.891 1.00 1.00 ATOM 210 CA ALA 219 65.904 3.546 43.784 1.00 1.00 ATOM 211 CA ALA 220 65.717 6.482 41.390 1.00 1.00 ATOM 212 CA ALA 221 62.812 4.838 39.686 1.00 1.00 ATOM 213 CA HIS 222 61.064 4.300 43.013 1.00 1.00 ATOM 214 CA ALA 223 61.522 7.955 43.936 1.00 1.00 ATOM 215 CA ALA 224 59.993 9.154 40.654 1.00 1.00 ATOM 216 CA THR 225 57.119 6.743 41.261 1.00 1.00 ATOM 217 CA ALA 226 56.478 8.249 44.646 1.00 1.00 ATOM 218 CA GLY 227 56.193 11.760 43.189 1.00 1.00 ATOM 219 CA ALA 228 59.668 13.161 43.699 1.00 1.00 ATOM 220 CA GLN 229 60.615 15.792 41.104 1.00 1.00 ATOM 221 CA ALA 230 63.859 17.351 42.382 1.00 1.00 ATOM 222 CA ALA 231 65.900 15.639 39.697 1.00 1.00 ATOM 223 CA LEU 232 69.207 17.317 40.457 1.00 1.00 ATOM 224 CA ASP 233 68.972 16.142 44.013 1.00 1.00 ATOM 225 CA ALA 234 67.845 12.648 43.103 1.00 1.00 ATOM 226 CA ALA 235 70.759 12.416 40.690 1.00 1.00 ATOM 227 CA ARG 236 73.308 13.842 43.131 1.00 1.00 ATOM 228 CA ALA 237 72.241 11.347 45.750 1.00 1.00 ATOM 229 CA VAL 238 72.357 8.482 43.282 1.00 1.00 ATOM 230 CA LEU 239 75.899 9.473 42.410 1.00 1.00 ATOM 231 CA ASP 240 76.887 9.458 46.040 1.00 1.00 ATOM 232 CA ALA 241 75.330 6.025 46.478 1.00 1.00 ATOM 233 CA ALA 242 77.274 4.757 43.529 1.00 1.00 ATOM 236 CA PRO 243 79.456 1.154 46.480 1.00 1.00 ATOM 237 CA GLY 244 82.672 1.625 44.533 1.00 1.00 ATOM 238 CA VAL 245 81.555 3.083 41.214 1.00 1.00 ATOM 239 CA ALA 246 82.902 6.267 39.710 1.00 1.00 ATOM 240 CA VAL 247 82.148 8.985 37.179 1.00 1.00 ATOM 241 CA ASP 248 78.465 8.379 36.942 1.00 1.00 ATOM 242 CA TYR 249 76.518 10.016 34.097 1.00 1.00 ATOM 243 CA LEU 250 72.807 9.901 34.826 1.00 1.00 ATOM 244 CA GLU 251 69.928 11.337 32.783 1.00 1.00 ATOM 245 CA LEU 252 66.230 11.451 33.424 1.00 1.00 ATOM 246 CA ARG 253 63.804 12.276 30.613 1.00 1.00 ATOM 247 CA ASP 254 60.122 12.177 29.777 1.00 1.00 ATOM 248 CA ILE 255 59.956 8.891 27.911 1.00 1.00 ATOM 249 CA GLY 256 57.261 10.127 25.501 1.00 1.00 ATOM 250 CA LEU 257 58.681 13.515 24.493 1.00 1.00 ATOM 251 CA GLY 258 62.373 12.869 25.418 1.00 1.00 ATOM 252 CA PRO 259 62.558 16.331 27.014 1.00 1.00 ATOM 253 CA MET 260 62.652 17.270 30.699 1.00 1.00 ATOM 254 CA PRO 261 60.161 15.662 33.044 1.00 1.00 ATOM 255 CA LEU 262 57.158 17.930 33.526 1.00 1.00 ATOM 256 CA ASN 263 53.795 18.202 35.260 1.00 1.00 ATOM 257 CA GLY 264 52.473 16.528 32.134 1.00 1.00 ATOM 260 CA SER 265 56.497 8.090 31.839 1.00 1.00 ATOM 261 CA GLY 266 60.207 8.605 32.509 1.00 1.00 ATOM 262 CA ARG 267 63.313 6.942 31.131 1.00 1.00 ATOM 263 CA LEU 268 66.367 6.783 33.429 1.00 1.00 ATOM 264 CA LEU 269 69.747 6.296 31.748 1.00 1.00 ATOM 265 CA VAL 270 72.912 5.666 33.715 1.00 1.00 ATOM 266 CA ALA 271 76.539 4.977 32.982 1.00 1.00 ATOM 267 CA ALA 272 79.143 4.338 35.662 1.00 1.00 ATOM 268 CA ARG 273 82.640 3.011 35.912 1.00 1.00 ATOM 269 CA LEU 274 83.632 -0.094 37.853 1.00 1.00 ATOM 270 CA GLY 275 87.398 -0.011 37.773 1.00 1.00 ATOM 271 CA THR 276 88.222 0.322 34.100 1.00 1.00 ATOM 272 CA THR 277 84.902 -1.171 33.026 1.00 1.00 ATOM 273 CA ARG 278 82.123 1.194 32.039 1.00 1.00 ATOM 274 CA LEU 279 78.670 -0.163 32.802 1.00 1.00 ATOM 275 CA LEU 280 75.441 1.166 31.407 1.00 1.00 ATOM 276 CA ASP 281 71.847 0.468 32.266 1.00 1.00 ATOM 277 CA ASN 282 68.405 1.952 31.804 1.00 1.00 ATOM 278 CA ILE 283 64.954 1.791 33.300 1.00 1.00 ATOM 279 CA ALA 284 61.565 3.126 32.300 1.00 1.00 ATOM 280 CA ILE 285 58.957 4.101 34.870 1.00 1.00 ATOM 281 CA GLU 286 55.276 4.970 34.801 1.00 1.00 ATOM 282 CA ILE 287 54.516 8.154 36.694 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:47:18 2002 Date: Tue, 30 Jul 2002 06:47:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:19:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_330907_17548 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS007_2 Current information on models submitted in prediction T0154TS007 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_2 PIN_330907_17548 6269-7633-6117 07/30/02 06:19:43 casp5@bialko.llnl.gov T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_2 PIN_330907_17548 6269-7633-6117 07/30/02 06:19:43 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1IHO_A # Loading PARENT structure: 1iho (chain: A) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue A 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue P 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue V 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue P 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue R 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue A 194 # IMPORTANT NOTE! Not complete main chain atoms for residue M 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue A 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue V 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue S 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue A 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue H 222 # IMPORTANT NOTE! Not complete main chain atoms for residue A 223 # IMPORTANT NOTE! Not complete main chain atoms for residue A 224 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue A 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 229 # IMPORTANT NOTE! Not complete main chain atoms for residue A 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue L 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue P 243 # IMPORTANT NOTE! Not complete main chain atoms for residue G 244 # IMPORTANT NOTE! Not complete main chain atoms for residue V 245 # IMPORTANT NOTE! Not complete main chain atoms for residue A 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue D 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 249 # IMPORTANT NOTE! Not complete main chain atoms for residue L 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue D 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue G 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue P 259 # IMPORTANT NOTE! Not complete main chain atoms for residue M 260 # IMPORTANT NOTE! Not complete main chain atoms for residue P 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue N 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue R 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue T 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue D 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue A 284 # IMPORTANT NOTE! Not complete main chain atoms for residue I 285 # IMPORTANT NOTE! Not complete main chain atoms for residue E 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 276 # Total number of atoms in model: 276 # Number of atoms with 1.0 occupancy: 276 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 276 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1IHO_A ATOM 1 CA LEU 11 22.883 6.129 9.117 1.00 1.00 ATOM 2 CA ASN 12 25.279 6.586 11.979 1.00 1.00 ATOM 3 CA VAL 13 27.158 9.853 12.321 1.00 1.00 ATOM 4 CA TYR 14 30.358 9.343 14.324 1.00 1.00 ATOM 5 CA SER 15 32.550 12.183 15.566 1.00 1.00 ATOM 6 CA ALA 16 35.183 10.636 17.802 1.00 1.00 ATOM 7 CA PRO 17 38.030 8.173 17.257 1.00 1.00 ATOM 8 CA GLY 18 37.095 5.716 20.042 1.00 1.00 ATOM 9 CA ASP 19 33.537 5.319 18.782 1.00 1.00 ATOM 10 CA VAL 20 34.722 5.011 15.188 1.00 1.00 ATOM 11 CA ALA 21 37.160 2.277 16.134 1.00 1.00 ATOM 12 CA ASP 22 34.408 0.425 17.884 1.00 1.00 ATOM 13 CA VAL 23 32.071 0.534 14.875 1.00 1.00 ATOM 14 CA SER 24 34.854 -0.406 12.489 1.00 1.00 ATOM 15 CA ARG 25 36.084 -3.323 14.623 1.00 1.00 ATOM 16 CA ALA 26 32.567 -4.649 14.846 1.00 1.00 ATOM 17 CA LEU 27 31.831 -4.296 11.149 1.00 1.00 ATOM 18 CA ARG 28 34.947 -6.165 10.261 1.00 1.00 ATOM 19 CA LEU 29 34.294 -8.794 12.965 1.00 1.00 ATOM 20 CA THR 30 31.067 -9.493 11.141 1.00 1.00 ATOM 21 CA GLY 31 33.092 -9.963 7.945 1.00 1.00 ATOM 22 CA ARG 32 31.686 -6.923 6.163 1.00 1.00 ATOM 23 CA ARG 33 33.776 -5.519 3.269 1.00 1.00 ATOM 24 CA VAL 34 34.238 -1.790 3.883 1.00 1.00 ATOM 25 CA MET 35 34.557 1.022 1.342 1.00 1.00 ATOM 26 CA LEU 36 35.740 4.499 2.239 1.00 1.00 ATOM 27 CA VAL 37 34.993 7.749 0.442 1.00 1.00 ATOM 28 CA PRO 38 37.163 10.548 1.883 1.00 1.00 ATOM 29 CA THR 39 35.738 14.066 1.451 1.00 1.00 ATOM 30 CA MET 40 35.980 17.598 2.828 1.00 1.00 ATOM 31 CA GLY 41 32.242 18.104 2.746 1.00 1.00 ATOM 32 CA ALA 42 30.267 20.497 0.522 1.00 1.00 ATOM 33 CA LEU 43 29.063 17.444 -1.373 1.00 1.00 ATOM 34 CA HIS 44 27.843 17.476 -4.992 1.00 1.00 ATOM 35 CA GLU 45 26.944 14.958 -7.689 1.00 1.00 ATOM 36 CA GLY 46 30.606 13.990 -8.250 1.00 1.00 ATOM 37 CA HIS 47 30.708 12.771 -4.651 1.00 1.00 ATOM 38 CA LEU 48 27.381 10.985 -4.995 1.00 1.00 ATOM 39 CA ALA 49 28.901 8.896 -7.856 1.00 1.00 ATOM 40 CA LEU 50 31.831 7.920 -5.600 1.00 1.00 ATOM 41 CA VAL 51 29.282 6.713 -3.024 1.00 1.00 ATOM 42 CA ARG 52 27.343 4.777 -5.665 1.00 1.00 ATOM 43 CA ALA 53 30.545 3.027 -6.744 1.00 1.00 ATOM 44 CA ALA 54 31.392 2.274 -3.122 1.00 1.00 ATOM 45 CA LYS 55 27.916 0.841 -2.483 1.00 1.00 ATOM 46 CA ARG 56 28.171 -1.516 -5.442 1.00 1.00 ATOM 47 CA PRO 58 31.624 -2.764 -4.488 1.00 1.00 ATOM 48 CA GLY 59 31.391 -3.206 -0.739 1.00 1.00 ATOM 49 CA SER 60 29.009 -4.367 2.004 1.00 1.00 ATOM 50 CA VAL 61 29.364 -1.174 4.049 1.00 1.00 ATOM 51 CA VAL 62 30.104 2.406 2.978 1.00 1.00 ATOM 52 CA VAL 63 31.882 4.942 5.166 1.00 1.00 ATOM 53 CA VAL 64 32.124 8.572 4.144 1.00 1.00 ATOM 54 CA SER 65 34.504 10.901 5.966 1.00 1.00 ATOM 55 CA ILE 66 33.723 14.591 6.128 1.00 1.00 ATOM 56 CA PHE 67 36.689 16.575 7.404 1.00 1.00 ATOM 57 CA VAL 68 37.999 19.967 6.389 1.00 1.00 ATOM 58 CA ASN 69 41.656 19.169 6.912 1.00 1.00 ATOM 59 CA PRO 70 43.731 22.178 7.997 1.00 1.00 ATOM 60 CA MET 71 46.974 20.529 6.839 1.00 1.00 ATOM 61 CA GLN 72 46.061 20.843 3.205 1.00 1.00 ATOM 62 CA PHE 73 45.269 24.625 3.280 1.00 1.00 ATOM 63 CA GLY 74 47.867 27.315 2.489 1.00 1.00 ATOM 64 CA ALA 75 46.779 29.772 5.100 1.00 1.00 ATOM 65 CA GLY 76 44.387 29.942 8.005 1.00 1.00 ATOM 66 CA GLU 77 42.144 32.505 6.328 1.00 1.00 ATOM 67 CA ASP 78 41.478 30.190 3.457 1.00 1.00 ATOM 68 CA LEU 79 40.597 27.451 5.908 1.00 1.00 ATOM 69 CA ASP 80 38.137 29.745 7.632 1.00 1.00 ATOM 70 CA ALA 81 36.352 30.632 4.418 1.00 1.00 ATOM 71 CA TYR 82 35.943 27.017 3.253 1.00 1.00 ATOM 72 CA PRO 83 32.285 26.141 2.873 1.00 1.00 ATOM 73 CA ARG 84 30.724 23.944 5.514 1.00 1.00 ATOM 74 CA THR 85 27.338 22.334 4.794 1.00 1.00 ATOM 75 CA PRO 86 27.253 19.409 7.154 1.00 1.00 ATOM 76 CA ASP 87 23.501 19.180 7.416 1.00 1.00 ATOM 77 CA ASP 88 22.990 19.123 3.661 1.00 1.00 ATOM 78 CA ASP 89 25.863 16.697 3.234 1.00 1.00 ATOM 79 CA LEU 90 24.265 14.299 5.702 1.00 1.00 ATOM 80 CA ALA 91 20.853 14.576 4.039 1.00 1.00 ATOM 81 CA GLN 92 22.460 13.623 0.751 1.00 1.00 ATOM 82 CA LEU 93 24.361 10.641 2.113 1.00 1.00 ATOM 83 CA ARG 94 21.392 9.417 4.117 1.00 1.00 ATOM 84 CA ALA 95 19.356 9.390 0.914 1.00 1.00 ATOM 85 CA GLU 96 22.174 7.295 -0.675 1.00 1.00 ATOM 86 CA GLY 97 21.987 4.756 2.120 1.00 1.00 ATOM 87 CA VAL 98 25.471 5.368 3.439 1.00 1.00 ATOM 88 CA GLU 99 26.127 3.281 6.566 1.00 1.00 ATOM 89 CA ILE 100 28.451 5.599 8.501 1.00 1.00 ATOM 90 CA ALA 101 29.581 9.184 8.344 1.00 1.00 ATOM 91 CA PHE 102 32.778 10.111 10.146 1.00 1.00 ATOM 92 CA THR 103 32.725 13.820 10.915 1.00 1.00 ATOM 93 CA PRO 104 35.400 14.662 13.467 1.00 1.00 ATOM 94 CA THR 105 36.520 18.031 14.773 1.00 1.00 ATOM 95 CA THR 106 39.936 19.481 14.106 1.00 1.00 ATOM 96 CA ALA 107 40.751 19.007 17.786 1.00 1.00 ATOM 97 CA ALA 108 39.794 15.328 17.612 1.00 1.00 ATOM 98 CA MET 109 42.143 14.735 14.669 1.00 1.00 ATOM 99 CA TYR 110 44.912 17.171 15.556 1.00 1.00 ATOM 100 CA PRO 111 44.806 17.605 19.363 1.00 1.00 ATOM 101 CA ASP 112 48.324 19.086 19.415 1.00 1.00 ATOM 102 CA GLY 113 47.941 20.901 16.168 1.00 1.00 ATOM 103 CA LEU 114 49.285 20.001 12.741 1.00 1.00 ATOM 104 CA ARG 115 52.838 21.218 12.893 1.00 1.00 ATOM 107 CA THR 116 53.444 12.847 12.124 1.00 1.00 ATOM 108 CA THR 117 53.191 13.266 8.371 1.00 1.00 ATOM 109 CA VAL 118 53.362 11.226 5.187 1.00 1.00 ATOM 110 CA GLN 119 55.070 12.641 2.119 1.00 1.00 ATOM 111 CA PRO 120 55.079 11.266 -1.428 1.00 1.00 ATOM 112 CA GLY 121 58.257 12.511 -3.173 1.00 1.00 ATOM 113 CA PRO 122 57.924 14.007 -6.610 1.00 1.00 ATOM 114 CA LEU 123 54.192 13.876 -6.998 1.00 1.00 ATOM 115 CA ALA 124 53.659 16.201 -4.085 1.00 1.00 ATOM 116 CA ALA 125 55.839 18.943 -5.438 1.00 1.00 ATOM 117 CA GLU 126 54.894 19.074 -9.075 1.00 1.00 ATOM 118 CA LEU 127 52.222 20.934 -10.978 1.00 1.00 ATOM 119 CA GLU 128 49.624 22.107 -8.417 1.00 1.00 ATOM 120 CA GLY 129 51.860 21.078 -5.552 1.00 1.00 ATOM 121 CA GLY 130 54.628 23.500 -6.687 1.00 1.00 ATOM 122 CA PRO 131 52.298 26.470 -6.087 1.00 1.00 ATOM 123 CA ARG 132 50.822 24.954 -2.912 1.00 1.00 ATOM 124 CA PRO 133 53.690 23.816 -0.704 1.00 1.00 ATOM 125 CA THR 134 52.531 21.427 1.999 1.00 1.00 ATOM 126 CA HIS 135 49.177 20.791 0.352 1.00 1.00 ATOM 127 CA PHE 136 49.735 17.252 -0.904 1.00 1.00 ATOM 128 CA ALA 137 51.621 16.343 2.261 1.00 1.00 ATOM 129 CA GLY 138 48.356 17.269 3.945 1.00 1.00 ATOM 130 CA VAL 139 46.431 15.000 1.615 1.00 1.00 ATOM 131 CA LEU 140 48.706 11.933 2.016 1.00 1.00 ATOM 132 CA THR 141 48.799 12.417 5.818 1.00 1.00 ATOM 133 CA VAL 142 45.062 12.589 6.372 1.00 1.00 ATOM 134 CA VAL 143 44.303 9.791 3.875 1.00 1.00 ATOM 135 CA LEU 144 46.857 7.498 5.551 1.00 1.00 ATOM 136 CA LYS 145 45.341 8.300 8.961 1.00 1.00 ATOM 137 CA LEU 146 41.868 7.599 7.655 1.00 1.00 ATOM 138 CA LEU 147 42.986 4.334 6.146 1.00 1.00 ATOM 139 CA GLN 148 44.351 3.197 9.505 1.00 1.00 ATOM 140 CA ILE 149 41.260 4.308 11.350 1.00 1.00 ATOM 141 CA VAL 150 38.613 2.967 8.941 1.00 1.00 ATOM 142 CA ARG 151 40.628 -0.020 7.592 1.00 1.00 ATOM 143 CA PRO 152 38.725 -0.084 4.309 1.00 1.00 ATOM 144 CA ASP 153 39.043 -2.818 1.711 1.00 1.00 ATOM 145 CA ARG 154 38.379 -0.290 -1.007 1.00 1.00 ATOM 146 CA VAL 155 38.521 3.481 -1.298 1.00 1.00 ATOM 147 CA PHE 156 37.026 5.664 -4.035 1.00 1.00 ATOM 148 CA PHE 157 38.508 8.779 -5.586 1.00 1.00 ATOM 149 CA GLY 158 37.503 10.833 -8.614 1.00 1.00 ATOM 150 CA GLU 159 39.595 10.921 -11.782 1.00 1.00 ATOM 151 CA LYS 160 38.975 14.657 -12.146 1.00 1.00 ATOM 152 CA ASP 161 41.473 15.272 -9.360 1.00 1.00 ATOM 153 CA TYR 162 44.025 13.280 -11.238 1.00 1.00 ATOM 154 CA GLN 163 47.011 14.466 -9.191 1.00 1.00 ATOM 155 CA GLN 164 45.524 13.366 -5.865 1.00 1.00 ATOM 156 CA LEU 165 44.598 10.021 -7.419 1.00 1.00 ATOM 157 CA VAL 166 48.130 9.438 -8.653 1.00 1.00 ATOM 158 CA LEU 167 49.488 10.575 -5.259 1.00 1.00 ATOM 159 CA ILE 168 47.294 8.153 -3.329 1.00 1.00 ATOM 160 CA ARG 169 47.947 5.280 -5.695 1.00 1.00 ATOM 161 CA GLN 170 51.698 5.718 -5.185 1.00 1.00 ATOM 162 CA LEU 171 51.287 6.113 -1.412 1.00 1.00 ATOM 163 CA VAL 172 49.337 2.907 -1.200 1.00 1.00 ATOM 164 CA ALA 173 51.773 0.930 -3.304 1.00 1.00 ATOM 165 CA ASP 174 54.759 2.249 -1.361 1.00 1.00 ATOM 166 CA PHE 175 53.357 2.007 2.144 1.00 1.00 ATOM 167 CA ASN 176 51.960 -1.505 1.777 1.00 1.00 ATOM 168 CA LEU 177 48.272 -0.790 2.405 1.00 1.00 ATOM 169 CA ASP 178 46.087 -3.735 1.297 1.00 1.00 ATOM 170 CA VAL 179 43.461 -1.423 -0.167 1.00 1.00 ATOM 171 CA ALA 180 41.997 -1.341 -3.655 1.00 1.00 ATOM 172 CA VAL 181 41.976 2.272 -4.924 1.00 1.00 ATOM 173 CA VAL 182 39.038 2.835 -7.294 1.00 1.00 ATOM 174 CA GLY 183 39.497 5.792 -9.628 1.00 1.00 ATOM 175 CA VAL 184 35.970 6.830 -10.671 1.00 1.00 ATOM 176 CA PRO 185 35.695 8.353 -14.183 1.00 1.00 ATOM 177 CA THR 186 34.241 11.798 -14.866 1.00 1.00 ATOM 178 CA VAL 187 30.484 11.750 -15.363 1.00 1.00 ATOM 179 CA ARG 188 29.363 12.944 -18.796 1.00 1.00 ATOM 180 CA GLU 189 26.225 14.032 -20.611 1.00 1.00 ATOM 181 CA ALA 190 24.972 11.794 -23.402 1.00 1.00 ATOM 182 CA ASP 191 26.821 13.903 -25.901 1.00 1.00 ATOM 183 CA GLY 192 30.172 13.473 -24.099 1.00 1.00 ATOM 184 CA LEU 193 30.403 16.812 -22.307 1.00 1.00 ATOM 185 CA ALA 194 31.772 16.574 -18.767 1.00 1.00 ATOM 186 CA MET 195 29.030 17.364 -16.287 1.00 1.00 ATOM 187 CA SER 196 29.883 20.503 -14.399 1.00 1.00 ATOM 188 CA SER 197 28.400 23.592 -12.714 1.00 1.00 ATOM 189 CA ARG 198 30.380 25.566 -15.383 1.00 1.00 ATOM 190 CA ASN 199 28.064 24.303 -18.096 1.00 1.00 ATOM 191 CA ARG 200 25.509 26.599 -16.528 1.00 1.00 ATOM 192 CA TYR 201 27.296 29.665 -17.979 1.00 1.00 ATOM 193 CA LEU 202 27.081 28.501 -21.608 1.00 1.00 ATOM 194 CA ASP 203 24.375 29.877 -23.866 1.00 1.00 ATOM 195 CA PRO 204 22.318 27.241 -25.722 1.00 1.00 ATOM 196 CA ALA 205 24.379 27.690 -28.879 1.00 1.00 ATOM 197 CA GLN 206 27.585 27.356 -26.862 1.00 1.00 ATOM 198 CA ARG 207 26.169 24.272 -25.188 1.00 1.00 ATOM 199 CA ALA 208 25.860 22.761 -28.693 1.00 1.00 ATOM 200 CA ALA 209 29.512 23.455 -29.477 1.00 1.00 ATOM 201 CA ALA 210 30.788 22.285 -26.090 1.00 1.00 ATOM 202 CA VAL 211 30.982 18.490 -26.791 1.00 1.00 ATOM 203 CA ALA 212 33.806 19.345 -29.195 1.00 1.00 ATOM 204 CA LEU 213 36.186 19.546 -26.275 1.00 1.00 ATOM 205 CA SER 214 35.773 15.867 -25.478 1.00 1.00 ATOM 206 CA ALA 215 36.057 15.063 -29.150 1.00 1.00 ATOM 207 CA ALA 216 39.413 16.745 -29.315 1.00 1.00 ATOM 208 CA LEU 217 40.509 15.100 -26.065 1.00 1.00 ATOM 209 CA THR 218 39.507 11.693 -27.436 1.00 1.00 ATOM 210 CA ALA 219 41.350 12.478 -30.682 1.00 1.00 ATOM 211 CA ALA 220 44.532 13.136 -28.733 1.00 1.00 ATOM 212 CA ALA 221 44.086 9.826 -26.921 1.00 1.00 ATOM 213 CA HIS 222 43.592 7.962 -30.163 1.00 1.00 ATOM 214 CA ALA 223 46.895 9.328 -31.549 1.00 1.00 ATOM 215 CA ALA 224 48.721 8.474 -28.342 1.00 1.00 ATOM 216 CA THR 225 47.234 5.015 -28.318 1.00 1.00 ATOM 217 CA ALA 226 48.447 4.676 -31.924 1.00 1.00 ATOM 218 CA GLY 227 52.093 5.480 -31.071 1.00 1.00 ATOM 219 CA ALA 228 52.290 9.145 -31.966 1.00 1.00 ATOM 220 CA GLN 229 54.936 10.782 -29.760 1.00 1.00 ATOM 221 CA ALA 230 55.284 14.224 -31.328 1.00 1.00 ATOM 222 CA ALA 231 53.321 15.780 -28.443 1.00 1.00 ATOM 223 CA LEU 232 54.098 19.308 -29.499 1.00 1.00 ATOM 224 CA ASP 233 52.401 18.819 -32.880 1.00 1.00 ATOM 225 CA ALA 234 49.553 16.801 -31.362 1.00 1.00 ATOM 226 CA ALA 235 48.928 19.688 -29.019 1.00 1.00 ATOM 227 CA ARG 236 49.298 22.310 -31.692 1.00 1.00 ATOM 228 CA ALA 237 46.728 20.617 -33.883 1.00 1.00 ATOM 229 CA VAL 238 44.402 20.093 -30.925 1.00 1.00 ATOM 230 CA LEU 239 44.410 23.830 -30.157 1.00 1.00 ATOM 231 CA ASP 240 43.772 24.737 -33.809 1.00 1.00 ATOM 232 CA ALA 241 40.875 22.339 -33.915 1.00 1.00 ATOM 233 CA ALA 242 39.387 23.759 -30.711 1.00 1.00 ATOM 236 CA PRO 243 35.292 24.954 -33.430 1.00 1.00 ATOM 237 CA GLY 244 34.594 28.210 -31.536 1.00 1.00 ATOM 238 CA VAL 245 36.617 27.621 -28.391 1.00 1.00 ATOM 239 CA ALA 246 39.604 29.637 -27.203 1.00 1.00 ATOM 240 CA VAL 247 42.082 26.980 -26.252 1.00 1.00 ATOM 241 CA ASP 248 43.621 27.801 -22.904 1.00 1.00 ATOM 242 CA TYR 249 45.772 24.888 -21.783 1.00 1.00 ATOM 243 CA LEU 250 46.589 21.445 -23.088 1.00 1.00 ATOM 244 CA GLU 251 49.011 19.078 -21.406 1.00 1.00 ATOM 245 CA LEU 252 49.989 15.436 -21.761 1.00 1.00 ATOM 246 CA ARG 253 51.790 13.570 -18.952 1.00 1.00 ATOM 247 CA ASP 254 52.734 10.188 -17.567 1.00 1.00 ATOM 248 CA ILE 255 49.656 9.080 -15.587 1.00 1.00 ATOM 249 CA GLY 256 51.525 7.301 -12.785 1.00 1.00 ATOM 250 CA LEU 257 54.399 9.664 -12.147 1.00 1.00 ATOM 251 CA GLY 258 52.954 12.940 -13.631 1.00 1.00 ATOM 252 CA PRO 259 56.241 13.542 -15.419 1.00 1.00 ATOM 253 CA MET 260 56.812 13.983 -19.112 1.00 1.00 ATOM 254 CA PRO 261 55.767 10.935 -21.074 1.00 1.00 ATOM 255 CA LEU 262 58.884 8.855 -21.820 1.00 1.00 ATOM 256 CA ASN 263 59.824 5.435 -23.214 1.00 1.00 ATOM 257 CA GLY 264 58.860 3.939 -19.867 1.00 1.00 ATOM 260 CA SER 265 49.654 5.263 -19.280 1.00 1.00 ATOM 261 CA GLY 266 49.207 8.919 -20.165 1.00 1.00 ATOM 262 CA ARG 267 46.873 11.555 -18.755 1.00 1.00 ATOM 263 CA LEU 268 45.623 14.331 -21.028 1.00 1.00 ATOM 264 CA LEU 269 44.339 17.611 -19.542 1.00 1.00 ATOM 265 CA VAL 270 42.499 20.226 -21.630 1.00 1.00 ATOM 266 CA ALA 271 40.991 23.649 -20.691 1.00 1.00 ATOM 267 CA ALA 272 39.262 25.854 -23.227 1.00 1.00 ATOM 268 CA ARG 273 37.114 28.931 -22.991 1.00 1.00 ATOM 269 CA LEU 274 33.651 28.980 -24.541 1.00 1.00 ATOM 270 CA GLY 275 31.722 32.141 -23.733 1.00 1.00 ATOM 271 CA THR 276 32.140 32.905 -20.045 1.00 1.00 ATOM 272 CA THR 277 32.860 29.272 -19.286 1.00 1.00 ATOM 273 CA ARG 278 36.341 27.855 -18.859 1.00 1.00 ATOM 274 CA LEU 279 35.603 24.181 -19.562 1.00 1.00 ATOM 275 CA LEU 280 37.951 21.549 -18.260 1.00 1.00 ATOM 276 CA ASP 281 38.373 17.841 -18.980 1.00 1.00 ATOM 277 CA ASN 282 40.847 14.990 -18.649 1.00 1.00 ATOM 278 CA ILE 283 41.307 11.456 -19.844 1.00 1.00 ATOM 279 CA ALA 284 43.739 8.657 -19.117 1.00 1.00 ATOM 280 CA ILE 285 44.944 6.460 -21.967 1.00 1.00 ATOM 281 CA GLU 286 46.711 3.119 -21.805 1.00 1.00 ATOM 282 CA ILE 287 49.955 3.087 -23.745 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 07:02:40 2002 Date: Tue, 30 Jul 2002 07:02:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:35:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_476937_17599 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS007_3 Current information on models submitted in prediction T0154TS007 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_3 PIN_476937_17599 6269-7633-6117 07/30/02 06:35:12 casp5@bialko.llnl.gov T0154TS007_2 PIN_330907_17548 6269-7633-6117 07/30/02 06:19:43 casp5@bialko.llnl.gov T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_1 PIN_297595_17536 6269-7633-6117 07/30/02 06:16:10 casp5@bialko.llnl.gov T0154TS007_2 PIN_330907_17548 6269-7633-6117 07/30/02 06:19:43 casp5@bialko.llnl.gov T0154TS007_3 PIN_476937_17599 6269-7633-6117 07/30/02 06:35:12 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1COZ_A # Loading PARENT structure: 1coz (chain: A) # Number of residues in PARENT structure: 126 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 160 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue V 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue P 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue R 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0154 # Total number of residues in target: 309 # 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 T0154 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1COZ_A ATOM 1 CA ARG 32 44.030 20.637 -10.623 1.00 1.00 ATOM 2 CA ARG 33 40.985 22.673 -9.550 1.00 1.00 ATOM 3 CA VAL 34 37.896 20.480 -10.042 1.00 1.00 ATOM 4 CA MET 35 34.370 21.887 -10.347 1.00 1.00 ATOM 5 CA LEU 36 31.009 20.078 -10.074 1.00 1.00 ATOM 6 CA VAL 37 27.432 21.093 -10.897 1.00 1.00 ATOM 7 CA PRO 38 24.103 19.219 -10.926 1.00 1.00 ATOM 8 CA THR 39 21.115 19.364 -13.226 1.00 1.00 ATOM 9 CA MET 40 18.895 17.628 -15.759 1.00 1.00 ATOM 10 CA GLY 41 20.015 19.363 -18.967 1.00 1.00 ATOM 11 CA ALA 42 17.093 17.927 -20.926 1.00 1.00 ATOM 13 CA LEU 43 19.870 21.835 -24.084 1.00 1.00 ATOM 14 CA HIS 44 19.556 25.600 -24.519 1.00 1.00 ATOM 15 CA GLU 45 21.752 28.716 -24.295 1.00 1.00 ATOM 16 CA GLY 46 20.998 29.149 -20.573 1.00 1.00 ATOM 17 CA HIS 47 22.536 25.741 -19.898 1.00 1.00 ATOM 18 CA LEU 48 25.540 26.699 -22.092 1.00 1.00 ATOM 19 CA ALA 49 26.189 29.932 -20.214 1.00 1.00 ATOM 20 CA LEU 50 26.040 28.065 -16.915 1.00 1.00 ATOM 21 CA VAL 51 28.543 25.469 -18.163 1.00 1.00 ATOM 22 CA ARG 52 30.759 28.217 -19.522 1.00 1.00 ATOM 23 CA ALA 53 30.868 30.110 -16.238 1.00 1.00 ATOM 24 CA ALA 54 31.252 26.960 -14.135 1.00 1.00 ATOM 25 CA LYS 55 34.231 25.792 -16.185 1.00 1.00 ATOM 26 CA ARG 56 35.946 29.159 -15.796 1.00 1.00 ATOM 27 CA VAL 57 36.051 28.575 -12.031 1.00 1.00 ATOM 28 CA GLY 59 38.456 25.645 -12.381 1.00 1.00 ATOM 29 CA SER 60 40.442 23.389 -14.692 1.00 1.00 ATOM 30 CA VAL 61 38.096 20.475 -14.899 1.00 1.00 ATOM 31 CA VAL 62 34.250 20.390 -14.893 1.00 1.00 ATOM 32 CA VAL 63 32.218 17.348 -13.833 1.00 1.00 ATOM 33 CA VAL 64 28.450 17.473 -14.493 1.00 1.00 ATOM 34 CA SER 65 26.209 15.187 -12.481 1.00 1.00 ATOM 35 CA ILE 66 22.885 14.691 -14.308 1.00 1.00 ATOM 36 CA PHE 67 19.626 13.145 -13.073 1.00 1.00 ATOM 37 CA VAL 68 19.144 9.550 -14.083 1.00 1.00 ATOM 46 CA ASN 69 9.848 15.267 -13.448 1.00 1.00 ATOM 47 CA PRO 70 10.133 13.327 -16.671 1.00 1.00 ATOM 48 CA MET 71 12.825 14.416 -19.163 1.00 1.00 ATOM 49 CA GLN 72 12.160 14.362 -22.863 1.00 1.00 ATOM 50 CA PHE 73 15.620 12.868 -23.583 1.00 1.00 ATOM 51 CA GLY 74 16.892 9.782 -21.817 1.00 1.00 ATOM 52 CA ALA 75 19.829 9.818 -19.426 1.00 1.00 ATOM 53 CA GLY 76 21.979 8.123 -22.059 1.00 1.00 ATOM 54 CA GLU 77 21.185 10.755 -24.648 1.00 1.00 ATOM 55 CA ASP 78 21.477 13.706 -22.277 1.00 1.00 ATOM 56 CA LEU 79 24.926 12.453 -21.175 1.00 1.00 ATOM 57 CA ASP 80 26.002 11.779 -24.773 1.00 1.00 ATOM 58 CA ALA 81 25.153 15.344 -25.791 1.00 1.00 ATOM 59 CA TYR 82 26.745 16.861 -22.681 1.00 1.00 ATOM 60 CA PRO 83 29.987 15.024 -23.352 1.00 1.00 ATOM 61 CA ARG 84 30.387 16.876 -26.679 1.00 1.00 ATOM 62 CA THR 85 30.235 20.366 -25.123 1.00 1.00 ATOM 63 CA PRO 86 33.753 21.798 -24.962 1.00 1.00 ATOM 64 CA ASP 87 33.366 22.877 -21.333 1.00 1.00 ATOM 65 CA LEU 90 32.416 19.494 -19.967 1.00 1.00 ATOM 66 CA ALA 91 35.167 17.162 -18.836 1.00 1.00 ATOM 67 CA GLN 92 33.186 14.403 -17.242 1.00 1.00 ATOM 68 CA LEU 93 29.525 13.439 -16.719 1.00 1.00 ATOM 69 CA ARG 94 28.388 11.274 -13.765 1.00 1.00 ATOM 70 CA ALA 95 24.918 10.082 -12.752 1.00 1.00 ATOM 71 CA GLU 96 22.881 11.932 -10.100 1.00 1.00 ATOM 72 CA GLY 97 20.790 9.166 -8.471 1.00 1.00 ATOM 73 CA VAL 139 19.500 10.757 -5.272 1.00 1.00 ATOM 74 CA LEU 140 19.470 13.934 -3.144 1.00 1.00 ATOM 75 CA THR 141 21.927 12.640 -0.534 1.00 1.00 ATOM 76 CA VAL 142 24.910 11.876 -2.762 1.00 1.00 ATOM 77 CA VAL 143 26.411 15.387 -2.860 1.00 1.00 ATOM 78 CA LEU 144 28.861 15.179 0.066 1.00 1.00 ATOM 79 CA LYS 145 30.329 11.857 -1.085 1.00 1.00 ATOM 80 CA LEU 146 30.646 13.081 -4.680 1.00 1.00 ATOM 81 CA LEU 147 32.738 16.015 -3.448 1.00 1.00 ATOM 82 CA GLN 148 34.919 13.414 -1.681 1.00 1.00 ATOM 83 CA ILE 149 34.940 10.786 -4.434 1.00 1.00 ATOM 84 CA VAL 150 35.846 13.254 -7.201 1.00 1.00 ATOM 85 CA ARG 151 38.026 15.543 -5.116 1.00 1.00 ATOM 86 CA PRO 152 35.925 18.563 -5.914 1.00 1.00 ATOM 87 CA ASP 153 37.255 22.042 -5.107 1.00 1.00 ATOM 88 CA ARG 154 34.351 24.159 -6.355 1.00 1.00 ATOM 89 CA VAL 155 30.606 23.330 -6.183 1.00 1.00 ATOM 90 CA PHE 156 28.404 25.435 -8.483 1.00 1.00 ATOM 91 CA PHE 157 24.587 25.723 -8.551 1.00 1.00 ATOM 92 CA GLY 158 22.082 28.218 -9.884 1.00 1.00 ATOM 93 CA GLU 159 21.232 30.959 -7.408 1.00 1.00 ATOM 94 CA LYS 160 17.719 29.498 -7.201 1.00 1.00 ATOM 95 CA ILE 168 19.478 27.122 -4.755 1.00 1.00 ATOM 96 CA ARG 169 21.172 29.976 -2.921 1.00 1.00 ATOM 97 CA GLN 170 21.842 28.792 0.621 1.00 1.00 ATOM 98 CA LEU 171 20.565 25.207 0.324 1.00 1.00 ATOM 99 CA VAL 172 24.021 23.664 0.002 1.00 1.00 ATOM 100 CA ALA 173 25.997 25.950 2.301 1.00 1.00 ATOM 101 CA ASP 174 26.801 22.928 4.465 1.00 1.00 ATOM 102 CA PHE 175 29.368 21.776 1.878 1.00 1.00 ATOM 103 CA ASN 176 31.435 24.891 2.601 1.00 1.00 ATOM 104 CA LEU 177 33.756 23.117 5.011 1.00 1.00 ATOM 105 CA ASP 178 34.753 20.814 2.175 1.00 1.00 ATOM 106 CA VAL 179 34.984 23.078 -0.855 1.00 1.00 ATOM 107 CA ALA 180 34.032 26.449 -2.284 1.00 1.00 ATOM 108 CA VAL 181 30.297 26.831 -2.956 1.00 1.00 ATOM 109 CA VAL 182 29.257 29.270 -5.699 1.00 1.00 ATOM 110 CA GLY 183 25.708 30.240 -6.804 1.00 1.00 ATOM 111 CA VAL 184 25.558 31.638 -10.313 1.00 1.00 ATOM 112 CA PRO 185 22.638 33.730 -11.557 1.00 1.00 ATOM 113 CA THR 186 20.396 31.937 -14.038 1.00 1.00 ATOM 114 CA VAL 187 19.979 33.195 -17.591 1.00 1.00 ATOM 115 CA ARG 188 16.722 35.149 -17.926 1.00 1.00 ATOM 116 CA GLU 189 14.012 34.327 -20.460 1.00 1.00 ATOM 121 CA SER 196 9.032 27.196 -21.109 1.00 1.00 ATOM 122 CA SER 197 10.319 25.460 -24.223 1.00 1.00 ATOM 123 CA ARG 198 7.888 22.605 -23.511 1.00 1.00 ATOM 124 CA ASN 199 5.073 25.036 -22.710 1.00 1.00 ATOM 125 CA ARG 200 5.702 26.998 -25.892 1.00 1.00 ATOM 126 CA TYR 201 5.530 23.761 -27.912 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:39:39 2002 Date: Tue, 30 Jul 2002 06:39:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:12:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_241868_17523 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS007_4 Current information on models submitted in prediction T0154TS007 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1COZ_B # Loading PARENT structure: 1coz (chain: B) # Number of residues in PARENT structure: 126 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 34 # Total number of atoms in model: 34 # Number of atoms with 1.0 occupancy: 34 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 34 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1COZ_B ATOM 502 CA ARG 32 40.858 18.763 -45.311 1.00 1.00 ATOM 503 CA ARG 33 37.746 20.951 -44.817 1.00 1.00 ATOM 504 CA VAL 34 34.245 19.546 -44.510 1.00 1.00 ATOM 505 CA MET 35 30.878 21.370 -44.781 1.00 1.00 ATOM 506 CA LEU 36 27.297 20.371 -43.929 1.00 1.00 ATOM 507 CA VAL 37 23.959 22.236 -43.921 1.00 1.00 ATOM 508 CA PRO 38 20.946 22.108 -41.645 1.00 1.00 ATOM 509 CA THR 39 18.786 23.879 -39.085 1.00 1.00 ATOM 510 CA MET 40 19.923 22.164 -35.874 1.00 1.00 ATOM 511 CA GLY 41 17.008 23.600 -33.905 1.00 1.00 ATOM 512 CA ALA 42 16.354 21.348 -30.886 1.00 1.00 ATOM 513 CA LEU 43 19.794 19.729 -30.745 1.00 1.00 ATOM 514 CA HIS 44 19.480 15.955 -30.261 1.00 1.00 ATOM 515 CA GLU 45 21.680 12.836 -30.481 1.00 1.00 ATOM 516 CA GLY 46 20.888 12.404 -34.180 1.00 1.00 ATOM 517 CA HIS 47 22.440 15.785 -34.861 1.00 1.00 ATOM 518 CA LEU 48 25.453 14.848 -32.699 1.00 1.00 ATOM 519 CA ALA 49 26.073 11.589 -34.567 1.00 1.00 ATOM 520 CA LEU 50 25.956 13.419 -37.883 1.00 1.00 ATOM 521 CA VAL 51 28.449 16.014 -36.663 1.00 1.00 ATOM 522 CA ARG 52 30.639 13.280 -35.296 1.00 1.00 ATOM 523 CA ALA 53 30.742 11.385 -38.563 1.00 1.00 ATOM 524 CA ALA 54 31.140 14.516 -40.711 1.00 1.00 ATOM 525 CA LYS 55 34.112 15.691 -38.654 1.00 1.00 ATOM 526 CA ARG 56 35.817 12.320 -39.023 1.00 1.00 ATOM 527 CA PRO 58 35.915 12.887 -42.796 1.00 1.00 ATOM 528 CA GLY 59 38.334 15.810 -42.491 1.00 1.00 ATOM 529 CA SER 60 40.308 18.058 -40.181 1.00 1.00 ATOM 530 CA VAL 61 37.993 21.003 -39.983 1.00 1.00 ATOM 531 CA VAL 62 34.155 21.098 -39.951 1.00 1.00 ATOM 532 CA VAL 63 32.106 24.102 -41.058 1.00 1.00 ATOM 533 CA VAL 64 28.336 23.970 -40.389 1.00 1.00 ATOM 534 CA SER 65 26.113 26.279 -42.377 1.00 1.00 ATOM 535 CA ILE 66 22.784 26.798 -40.554 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:40:29 2002 Date: Tue, 30 Jul 2002 06:40:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:13:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_258875_17526 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS007_5 Current information on models submitted in prediction T0154TS007 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS007_4 PIN_241868_17523 6269-7633-6117 07/30/02 06:12:15 casp5@bialko.llnl.gov T0154TS007_5 PIN_258875_17526 6269-7633-6117 07/30/02 06:13:10 casp5@bialko.llnl.gov T0154SS007_1 PIN_149475_12176 6269-7633-6117 07/16/02 08:03:08 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 T0154 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1F9A_A # Loading PARENT structure: 1f9a (chain: A) # Number of residues in PARENT structure: 164 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue P 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 146 # Total number of atoms in model: 146 # Number of atoms with 1.0 occupancy: 146 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 146 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1F9A_A ATOM 1 CA ARG 32 19.895 4.200 30.355 1.00 1.00 ATOM 2 CA ARG 33 23.382 4.510 31.857 1.00 1.00 ATOM 3 CA VAL 34 25.286 7.777 32.268 1.00 1.00 ATOM 4 CA MET 35 29.079 8.315 32.283 1.00 1.00 ATOM 5 CA LEU 36 31.119 11.026 34.019 1.00 1.00 ATOM 6 CA VAL 37 34.888 11.160 34.438 1.00 1.00 ATOM 7 CA PRO 38 37.010 13.292 36.754 1.00 1.00 ATOM 8 CA THR 39 40.028 13.038 39.022 1.00 1.00 ATOM 9 CA MET 40 38.043 13.627 42.224 1.00 1.00 ATOM 10 CA GLY 41 40.952 14.912 44.359 1.00 1.00 ATOM 11 CA ALA 42 38.947 14.921 46.320 1.00 1.00 ATOM 12 CA LEU 43 35.316 14.177 45.530 1.00 1.00 ATOM 13 CA HIS 44 33.404 17.310 46.625 1.00 1.00 ATOM 14 CA GLU 45 29.878 18.739 47.062 1.00 1.00 ATOM 15 CA GLY 46 29.780 19.926 43.435 1.00 1.00 ATOM 16 CA HIS 47 30.367 16.375 42.108 1.00 1.00 ATOM 17 CA LEU 48 27.677 15.179 44.561 1.00 1.00 ATOM 18 CA ALA 49 25.230 17.705 43.133 1.00 1.00 ATOM 19 CA LEU 50 26.111 17.041 39.485 1.00 1.00 ATOM 20 CA VAL 51 25.658 13.259 40.055 1.00 1.00 ATOM 21 CA ARG 52 22.257 13.748 41.790 1.00 1.00 ATOM 22 CA ALA 53 21.243 15.861 38.771 1.00 1.00 ATOM 23 CA ALA 54 22.550 13.242 36.378 1.00 1.00 ATOM 24 CA LYS 55 20.569 10.550 38.171 1.00 1.00 ATOM 25 CA ARG 56 17.432 12.491 37.273 1.00 1.00 ATOM 26 CA PRO 58 18.093 11.594 33.641 1.00 1.00 ATOM 27 CA GLY 59 19.401 8.017 33.771 1.00 1.00 ATOM 28 CA SER 60 18.940 4.851 35.847 1.00 1.00 ATOM 29 CA VAL 61 22.643 4.146 36.625 1.00 1.00 ATOM 30 CA VAL 62 25.804 6.240 36.651 1.00 1.00 ATOM 31 CA VAL 63 29.384 5.125 35.840 1.00 1.00 ATOM 32 CA VAL 64 31.924 7.297 37.668 1.00 1.00 ATOM 33 CA SER 65 35.216 6.975 35.764 1.00 1.00 ATOM 34 CA ILE 66 38.074 7.827 38.075 1.00 1.00 ATOM 35 CA PHE 67 40.621 9.420 35.762 1.00 1.00 ATOM 36 CA VAL 68 44.393 9.642 36.142 1.00 1.00 ATOM 37 CA ASN 69 44.075 6.549 38.246 1.00 1.00 ATOM 38 CA PRO 70 47.828 6.052 38.455 1.00 1.00 ATOM 39 CA MET 71 48.579 9.691 39.462 1.00 1.00 ATOM 40 CA GLN 72 48.912 10.245 43.228 1.00 1.00 ATOM 41 CA PHE 73 51.289 11.926 45.680 1.00 1.00 ATOM 42 CA GLY 74 51.280 15.256 43.796 1.00 1.00 ATOM 61 CA ALA 75 26.385 4.369 49.415 1.00 1.00 ATOM 62 CA GLY 76 23.799 6.437 51.043 1.00 1.00 ATOM 63 CA GLU 77 21.493 7.093 48.126 1.00 1.00 ATOM 64 CA ASP 78 19.063 4.906 46.190 1.00 1.00 ATOM 65 CA LEU 79 21.591 5.153 43.385 1.00 1.00 ATOM 66 CA ASP 80 23.216 2.476 41.284 1.00 1.00 ATOM 67 CA ALA 81 26.719 3.728 40.494 1.00 1.00 ATOM 68 CA TYR 82 30.049 2.205 39.491 1.00 1.00 ATOM 69 CA PRO 83 33.263 3.977 40.538 1.00 1.00 ATOM 70 CA ARG 84 35.831 2.589 38.078 1.00 1.00 ATOM 71 CA THR 85 39.547 3.550 37.987 1.00 1.00 ATOM 72 CA PRO 86 40.715 4.561 34.545 1.00 1.00 ATOM 73 CA ASP 87 44.452 5.115 33.983 1.00 1.00 ATOM 74 CA ASP 88 45.998 7.763 31.704 1.00 1.00 ATOM 75 CA ASP 89 46.916 5.783 28.583 1.00 1.00 ATOM 76 CA LEU 90 48.711 7.840 26.028 1.00 1.00 ATOM 77 CA ALA 91 46.618 6.997 23.060 1.00 1.00 ATOM 78 CA GLN 92 43.563 9.077 22.255 1.00 1.00 ATOM 79 CA LEU 93 42.338 6.969 19.367 1.00 1.00 ATOM 80 CA ARG 94 41.664 3.831 21.453 1.00 1.00 ATOM 81 CA ALA 95 40.678 5.565 24.752 1.00 1.00 ATOM 82 CA GLU 96 36.871 5.215 24.216 1.00 1.00 ATOM 83 CA GLY 97 37.429 1.465 23.675 1.00 1.00 ATOM 84 CA VAL 98 39.591 1.234 26.763 1.00 1.00 ATOM 85 CA GLU 99 36.850 2.983 28.829 1.00 1.00 ATOM 86 CA ILE 100 34.250 0.624 27.238 1.00 1.00 ATOM 87 CA ALA 101 36.343 -2.482 28.248 1.00 1.00 ATOM 88 CA PHE 102 36.357 -1.396 31.869 1.00 1.00 ATOM 89 CA THR 103 32.739 -0.306 32.365 1.00 1.00 ATOM 90 CA PRO 104 29.106 -1.356 31.865 1.00 1.00 ATOM 91 CA THR 105 27.579 -0.210 28.582 1.00 1.00 ATOM 92 CA THR 106 26.473 3.444 28.709 1.00 1.00 ATOM 93 CA ALA 107 24.352 5.745 26.585 1.00 1.00 ATOM 94 CA ALA 108 25.093 9.342 27.607 1.00 1.00 ATOM 95 CA MET 109 28.372 11.161 28.453 1.00 1.00 ATOM 96 CA TYR 110 28.355 14.227 30.702 1.00 1.00 ATOM 97 CA PRO 111 31.494 16.289 30.062 1.00 1.00 ATOM 98 CA ASP 112 32.469 19.844 29.211 1.00 1.00 ATOM 99 CA GLY 113 36.044 18.735 28.405 1.00 1.00 ATOM 100 CA LEU 114 36.730 19.305 24.719 1.00 1.00 ATOM 101 CA ARG 115 38.897 16.183 24.178 1.00 1.00 ATOM 102 CA THR 116 36.547 13.789 26.051 1.00 1.00 ATOM 103 CA THR 117 33.687 15.254 24.006 1.00 1.00 ATOM 104 CA VAL 118 35.465 14.907 20.652 1.00 1.00 ATOM 105 CA GLN 119 36.499 11.263 21.289 1.00 1.00 ATOM 106 CA PRO 120 33.017 10.135 22.354 1.00 1.00 ATOM 107 CA GLY 121 31.138 12.100 19.655 1.00 1.00 ATOM 108 CA PRO 122 33.378 10.597 16.965 1.00 1.00 ATOM 109 CA LEU 123 32.291 7.195 18.307 1.00 1.00 ATOM 110 CA ALA 124 28.581 8.017 17.980 1.00 1.00 ATOM 111 CA ALA 125 27.842 8.830 21.660 1.00 1.00 ATOM 112 CA GLU 126 25.601 11.683 22.861 1.00 1.00 ATOM 113 CA LEU 127 27.586 14.097 25.035 1.00 1.00 ATOM 114 CA GLU 128 26.009 16.685 27.349 1.00 1.00 ATOM 115 CA GLY 129 27.406 19.477 29.490 1.00 1.00 ATOM 116 CA GLY 130 26.648 19.107 33.193 1.00 1.00 ATOM 117 CA PRO 131 25.594 22.189 35.227 1.00 1.00 ATOM 118 CA ARG 132 28.277 23.689 37.452 1.00 1.00 ATOM 119 CA PRO 133 27.230 24.223 41.084 1.00 1.00 ATOM 120 CA THR 134 29.047 26.859 43.156 1.00 1.00 ATOM 121 CA HIS 135 32.346 26.429 41.322 1.00 1.00 ATOM 122 CA PHE 136 34.121 29.179 43.266 1.00 1.00 ATOM 123 CA ALA 137 34.168 26.867 46.310 1.00 1.00 ATOM 124 CA GLY 138 33.325 23.391 44.947 1.00 1.00 ATOM 125 CA VAL 139 36.537 22.599 43.028 1.00 1.00 ATOM 126 CA LEU 140 39.383 20.244 43.951 1.00 1.00 ATOM 127 CA THR 141 42.010 22.952 43.350 1.00 1.00 ATOM 128 CA VAL 142 40.212 25.263 45.770 1.00 1.00 ATOM 129 CA VAL 143 39.822 22.503 48.385 1.00 1.00 ATOM 130 CA LEU 144 43.482 21.415 48.132 1.00 1.00 ATOM 131 CA LYS 145 44.650 25.054 48.438 1.00 1.00 ATOM 132 CA LEU 146 42.548 25.331 51.600 1.00 1.00 ATOM 133 CA LEU 147 43.983 22.116 52.984 1.00 1.00 ATOM 134 CA GLN 148 47.554 23.342 52.389 1.00 1.00 ATOM 135 CA ILE 149 47.072 26.724 54.095 1.00 1.00 ATOM 136 CA VAL 150 44.915 25.611 57.028 1.00 1.00 ATOM 137 CA ARG 151 41.573 27.158 56.093 1.00 1.00 ATOM 138 CA PRO 152 38.283 25.275 56.516 1.00 1.00 ATOM 139 CA ASP 153 37.434 22.892 53.672 1.00 1.00 ATOM 140 CA ARG 154 35.322 20.263 55.435 1.00 1.00 ATOM 141 CA VAL 155 31.993 21.919 54.681 1.00 1.00 ATOM 142 CA PHE 156 32.935 21.758 50.975 1.00 1.00 ATOM 143 CA PHE 157 32.820 17.936 50.740 1.00 1.00 ATOM 144 CA GLY 158 30.514 15.176 52.044 1.00 1.00 ATOM 145 CA GLU 159 31.180 14.168 55.644 1.00 1.00 ATOM 146 CA LYS 160 32.158 10.701 54.371 1.00 1.00 ATOM 147 CA ASP 161 35.042 12.331 52.461 1.00 1.00 ATOM 148 CA TYR 162 36.151 14.184 55.575 1.00 1.00 ATOM 149 CA GLN 163 36.291 10.842 57.393 1.00 1.00 ATOM 150 CA GLN 164 38.297 9.246 54.584 1.00 1.00 ATOM 151 CA LEU 165 40.831 12.093 54.421 1.00 1.00 ATOM 152 CA VAL 166 41.375 11.677 58.196 1.00 1.00 ATOM 153 CA LEU 167 41.779 7.890 57.905 1.00 1.00 ATOM 154 CA ILE 168 44.480 8.180 55.230 1.00 1.00 ATOM 155 CA ARG 169 46.053 11.355 56.617 1.00 1.00 ATOM 156 CA GLN 170 45.428 13.130 53.308 1.00 1.00 ATOM 157 CA LEU 171 45.997 16.702 54.607 1.00 1.00 ATOM 158 CA VAL 172 49.344 15.826 56.149 1.00 1.00 ATOM 159 CA ALA 173 50.452 14.183 52.889 1.00 1.00 ATOM 160 CA ASP 174 49.613 17.342 50.916 1.00 1.00 ATOM 161 CA PHE 175 51.448 19.568 53.408 1.00 1.00 ATOM 162 CA ASN 176 54.543 17.367 53.293 1.00 1.00 ATOM 163 CA LEU 177 54.502 17.395 49.470 1.00 1.00 ATOM 164 CA ASP 178 54.475 21.175 49.577 1.00 1.00 TER END ################################ # # # END # # # ################################