From mailer@bialko.llnl.gov Wed Aug 7 08:57:29 2002 Date: Wed, 7 Aug 2002 08:57:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 08:29:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_420172_19562 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165SS007_1 Current information on models submitted in prediction T0165SS007 MODEL_INDEX PIN CODE DATE E-mail T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 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: 318 # Number of residues with nonzero confidence: 318 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0165 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-1201.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-8122//target-align-8122.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 120.387 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-1201.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.14848/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 Aug 5 17:29:12 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-8122//target-align-8122.a2m METHOD METHOD guide seq name: seed-seqs-1201.a2m(1), 318 bases, D6E57AD8 checksum. METHOD ###end 0 MODEL 1 M C 0.627 Q C 0.576 L C 0.553 F C 0.566 D C 0.586 L C 0.579 P C 0.61 L H 0.591 D H 0.623 Q H 0.627 L H 0.566 Q H 0.527 T H 0.452 Y H 0.374 K C 0.473 P C 0.601 E C 0.631 K C 0.625 T C 0.611 A C 0.587 P C 0.541 K C 0.489 D C 0.471 F H 0.466 S H 0.484 E H 0.546 F H 0.546 W H 0.543 K H 0.602 L H 0.622 S H 0.614 L H 0.684 E H 0.692 E H 0.695 L H 0.676 A H 0.652 K H 0.611 V H 0.51 Q C 0.544 A C 0.535 E C 0.523 P C 0.474 D C 0.432 L C 0.405 Q C 0.436 P C 0.473 V C 0.5 D C 0.551 Y C 0.611 P C 0.643 A C 0.635 D C 0.637 G C 0.581 V C 0.532 K C 0.514 V C 0.436 Y E 0.452 R E 0.552 L E 0.608 T E 0.615 Y E 0.597 K E 0.506 S C 0.519 F C 0.644 G C 0.687 N C 0.627 A C 0.456 R E 0.535 I E 0.564 T E 0.541 G E 0.59 W E 0.623 Y E 0.639 A E 0.603 V E 0.474 P C 0.556 D C 0.688 K C 0.739 E C 0.767 G C 0.773 P C 0.714 H C 0.619 P C 0.526 A E 0.68 I E 0.748 V E 0.764 K E 0.745 Y E 0.652 H C 0.467 G C 0.669 Y C 0.666 N C 0.637 A C 0.63 S C 0.598 Y C 0.492 D C 0.448 G H 0.476 E H 0.551 I H 0.608 H H 0.665 E H 0.694 M H 0.716 V H 0.729 N H 0.726 W H 0.722 A H 0.71 L H 0.69 H H 0.565 G C 0.664 Y C 0.576 A E 0.645 T E 0.742 F E 0.738 G E 0.685 M E 0.616 L C 0.491 V C 0.594 R C 0.621 G C 0.651 Q C 0.664 Q C 0.658 S C 0.662 S C 0.663 E C 0.646 D C 0.592 T C 0.508 S C 0.426 I C 0.395 S C 0.425 P C 0.45 H C 0.494 G C 0.519 H C 0.506 A C 0.507 L C 0.543 G C 0.519 W C 0.389 M H 0.405 T H 0.422 K H 0.446 G H 0.455 I H 0.467 L H 0.448 D C 0.456 K C 0.485 D C 0.476 T C 0.472 Y C 0.468 Y C 0.472 Y C 0.52 R C 0.453 G H 0.425 V H 0.474 Y H 0.656 L H 0.697 D H 0.716 A H 0.78 V H 0.788 R H 0.785 A H 0.786 L H 0.787 E H 0.779 V H 0.768 I H 0.749 S H 0.702 S H 0.637 F C 0.492 D C 0.629 E C 0.605 V C 0.599 D C 0.659 E C 0.51 T C 0.526 R C 0.39 I E 0.585 G E 0.625 V E 0.63 T E 0.548 G C 0.5 G C 0.546 S C 0.569 Q H 0.472 G H 0.529 G H 0.6 G H 0.626 L H 0.649 T H 0.662 I H 0.68 A H 0.687 A H 0.688 A H 0.682 A H 0.649 L H 0.551 S C 0.613 D C 0.567 I C 0.454 P C 0.361 K E 0.393 A E 0.509 A E 0.559 V E 0.573 A E 0.534 D E 0.436 Y C 0.536 P C 0.62 Y C 0.553 L C 0.555 S C 0.567 N H 0.486 F H 0.571 E H 0.595 R H 0.574 A H 0.551 I H 0.52 D H 0.496 V H 0.471 A H 0.437 L H 0.438 E H 0.445 Q H 0.438 P H 0.449 Y H 0.505 L H 0.513 E H 0.497 I H 0.471 N H 0.424 S H 0.401 F H 0.403 F C 0.393 R C 0.407 R C 0.467 N C 0.587 G C 0.537 S C 0.516 P C 0.481 E C 0.486 T C 0.464 E H 0.52 V H 0.63 Q H 0.648 A H 0.64 M H 0.664 K H 0.664 T H 0.653 L H 0.609 S H 0.55 Y H 0.477 F C 0.551 D C 0.643 I H 0.572 M H 0.613 N H 0.606 L H 0.565 A H 0.535 D H 0.498 R H 0.444 V C 0.57 K C 0.656 V C 0.645 P C 0.633 V E 0.621 L E 0.68 M E 0.687 S E 0.648 I E 0.518 G C 0.533 L C 0.6 I C 0.627 D C 0.713 K C 0.614 V C 0.563 T C 0.62 P C 0.708 P H 0.578 S H 0.646 T H 0.673 V H 0.717 F H 0.758 A H 0.761 A H 0.761 Y H 0.765 N H 0.762 H H 0.753 L H 0.661 E C 0.618 T C 0.659 K C 0.626 K C 0.428 E E 0.524 L E 0.594 K E 0.626 V E 0.602 Y E 0.451 R C 0.56 Y C 0.614 F C 0.639 G C 0.67 H C 0.557 E C 0.556 Y C 0.491 I C 0.485 P C 0.438 A H 0.468 F H 0.486 Q H 0.482 T H 0.66 E H 0.734 K H 0.742 L H 0.752 A H 0.778 F H 0.788 F H 0.784 K H 0.788 Q H 0.782 H H 0.767 L H 0.723 K H 0.621 G C 0.615 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:27:18 2002 Date: Tue, 13 Aug 2002 07:27:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0165 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 06:59:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_731801_21415 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS007_3 Current information on models submitted in prediction T0165TS007 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QFS_A # Loading PARENT structure: 1qfs (chain: A) # Number of residues in PARENT structure: 710 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue D 23 # IMPORTANT NOTE! Not complete main chain atoms for residue F 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue W 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue H 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue E 169 # IMPORTANT NOTE! Not complete main chain atoms for residue V 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue N 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue I 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue N 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue M 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 257 # Total number of atoms in model: 257 # Number of atoms with 1.0 occupancy: 257 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 257 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QFS_A ATOM 28 CA PRO 21 42.248 41.699 60.088 1.00 1.00 ATOM 29 CA LYS 22 45.284 40.372 61.969 1.00 1.00 ATOM 30 CA ASP 23 46.901 43.767 61.414 1.00 1.00 ATOM 31 CA PHE 24 44.472 45.267 63.947 1.00 1.00 ATOM 32 CA SER 25 46.444 43.400 66.631 1.00 1.00 ATOM 33 CA GLU 26 48.970 46.249 66.545 1.00 1.00 ATOM 34 CA PHE 27 47.546 49.203 68.551 1.00 1.00 ATOM 35 CA TRP 28 50.372 51.570 67.606 1.00 1.00 ATOM 36 CA LYS 29 50.111 51.446 63.825 1.00 1.00 ATOM 37 CA LEU 30 48.744 54.304 61.754 1.00 1.00 ATOM 38 CA SER 31 46.380 51.809 60.123 1.00 1.00 ATOM 39 CA LEU 32 44.769 50.660 63.392 1.00 1.00 ATOM 40 CA GLU 33 44.597 54.223 64.667 1.00 1.00 ATOM 41 CA GLU 34 42.774 55.232 61.475 1.00 1.00 ATOM 42 CA LEU 35 40.440 52.236 61.820 1.00 1.00 ATOM 43 CA ALA 36 39.516 53.256 65.369 1.00 1.00 ATOM 44 CA LYS 37 39.029 56.884 64.365 1.00 1.00 ATOM 45 CA VAL 38 36.798 55.977 61.426 1.00 1.00 ATOM 46 CA GLN 39 34.669 53.590 63.523 1.00 1.00 ATOM 47 CA ALA 40 34.026 56.112 66.283 1.00 1.00 ATOM 48 CA GLU 41 33.271 58.738 63.618 1.00 1.00 ATOM 49 CA PRO 42 30.153 56.841 62.591 1.00 1.00 ATOM 50 CA ASP 43 29.308 55.480 66.048 1.00 1.00 ATOM 51 CA LEU 44 29.238 58.741 68.051 1.00 1.00 ATOM 52 CA GLN 45 26.768 60.752 65.909 1.00 1.00 ATOM 427 CA PRO 46 17.615 56.919 96.404 1.00 1.00 ATOM 428 CA VAL 47 14.760 59.435 96.256 1.00 1.00 ATOM 429 CA ASP 48 13.368 58.826 92.793 1.00 1.00 ATOM 430 CA TYR 49 13.366 55.052 92.453 1.00 1.00 ATOM 431 CA PRO 50 10.560 53.850 94.738 1.00 1.00 ATOM 432 CA ALA 51 11.416 50.192 95.482 1.00 1.00 ATOM 433 CA ASP 52 7.781 49.511 96.434 1.00 1.00 ATOM 434 CA GLY 53 6.778 49.885 92.777 1.00 1.00 ATOM 435 CA VAL 54 8.873 46.873 91.748 1.00 1.00 ATOM 436 CA LYS 55 9.500 43.238 92.617 1.00 1.00 ATOM 437 CA VAL 56 12.309 40.745 92.213 1.00 1.00 ATOM 438 CA TYR 57 11.338 37.171 91.450 1.00 1.00 ATOM 439 CA ARG 58 13.688 34.217 91.161 1.00 1.00 ATOM 440 CA LEU 59 12.819 31.361 88.826 1.00 1.00 ATOM 441 CA THR 60 14.583 28.191 87.701 1.00 1.00 ATOM 442 CA TYR 61 14.220 27.319 84.014 1.00 1.00 ATOM 443 CA LYS 62 15.306 24.095 82.242 1.00 1.00 ATOM 444 CA SER 63 18.288 24.453 79.913 1.00 1.00 ATOM 445 CA PHE 64 18.801 22.327 76.780 1.00 1.00 ATOM 446 CA GLY 65 20.062 19.324 78.762 1.00 1.00 ATOM 447 CA ASN 66 17.416 19.670 81.491 1.00 1.00 ATOM 448 CA ALA 67 19.596 21.471 84.044 1.00 1.00 ATOM 449 CA ARG 68 17.614 23.981 86.113 1.00 1.00 ATOM 450 CA ILE 69 19.255 27.422 85.864 1.00 1.00 ATOM 451 CA THR 70 18.381 30.261 88.256 1.00 1.00 ATOM 452 CA GLY 71 17.314 33.633 86.843 1.00 1.00 ATOM 453 CA TRP 72 16.442 36.890 88.620 1.00 1.00 ATOM 454 CA TYR 73 13.726 39.015 87.023 1.00 1.00 ATOM 455 CA ALA 74 13.109 42.602 88.153 1.00 1.00 ATOM 456 CA VAL 75 10.031 44.460 86.917 1.00 1.00 ATOM 457 CA PRO 76 7.215 46.843 87.844 1.00 1.00 ATOM 461 CA ASP 77 0.737 42.107 81.929 1.00 1.00 ATOM 462 CA LYS 78 2.789 39.183 80.643 1.00 1.00 ATOM 463 CA GLU 79 1.781 39.897 77.047 1.00 1.00 ATOM 464 CA GLY 80 5.323 40.060 75.630 1.00 1.00 ATOM 465 CA PRO 81 5.140 43.788 74.844 1.00 1.00 ATOM 466 CA HIS 82 7.882 44.900 77.254 1.00 1.00 ATOM 467 CA PRO 83 11.502 45.658 76.373 1.00 1.00 ATOM 468 CA ALA 84 13.895 43.417 78.312 1.00 1.00 ATOM 469 CA ILE 85 17.560 43.631 79.272 1.00 1.00 ATOM 470 CA VAL 86 19.037 40.163 79.928 1.00 1.00 ATOM 471 CA LYS 87 22.503 39.987 81.557 1.00 1.00 ATOM 472 CA TYR 88 24.998 37.148 81.965 1.00 1.00 ATOM 473 CA HIS 89 28.679 36.272 82.451 1.00 1.00 ATOM 474 CA GLY 90 28.995 32.498 82.853 1.00 1.00 ATOM 475 CA TYR 91 32.563 31.735 83.843 1.00 1.00 ATOM 476 CA ASN 92 35.598 31.783 86.108 1.00 1.00 ATOM 477 CA ALA 93 33.634 30.627 89.150 1.00 1.00 ATOM 481 CA SER 94 24.460 38.043 92.672 1.00 1.00 ATOM 482 CA TYR 95 21.963 40.887 93.329 1.00 1.00 ATOM 483 CA ASP 96 23.475 44.377 93.155 1.00 1.00 ATOM 484 CA GLY 97 22.082 47.916 93.014 1.00 1.00 ATOM 485 CA GLU 98 22.265 49.489 89.564 1.00 1.00 ATOM 486 CA ILE 99 20.793 52.953 89.061 1.00 1.00 ATOM 487 CA HIS 100 21.393 52.593 85.310 1.00 1.00 ATOM 488 CA GLU 101 19.312 49.423 85.002 1.00 1.00 ATOM 489 CA MET 102 16.472 50.810 87.146 1.00 1.00 ATOM 490 CA VAL 103 16.166 53.780 84.774 1.00 1.00 ATOM 491 CA ASN 104 15.647 51.261 81.948 1.00 1.00 ATOM 492 CA TRP 105 12.857 49.779 84.062 1.00 1.00 ATOM 493 CA ALA 106 11.183 53.047 85.152 1.00 1.00 ATOM 494 CA LEU 107 11.889 55.442 82.280 1.00 1.00 ATOM 495 CA HIS 108 11.883 52.959 79.413 1.00 1.00 ATOM 496 CA GLY 109 9.337 50.486 80.790 1.00 1.00 ATOM 497 CA TYR 110 11.842 47.645 80.809 1.00 1.00 ATOM 498 CA ALA 111 12.211 44.255 82.440 1.00 1.00 ATOM 499 CA THR 112 15.550 43.351 84.018 1.00 1.00 ATOM 500 CA PHE 113 16.869 39.777 84.010 1.00 1.00 ATOM 501 CA GLY 114 20.066 38.075 85.150 1.00 1.00 ATOM 502 CA MET 115 20.654 34.450 84.196 1.00 1.00 ATOM 503 CA LEU 116 22.959 32.540 86.577 1.00 1.00 ATOM 504 CA VAL 117 24.288 30.282 83.822 1.00 1.00 ATOM 505 CA ARG 118 26.937 27.563 84.222 1.00 1.00 ATOM 506 CA GLY 119 30.602 28.490 84.416 1.00 1.00 ATOM 507 CA GLN 120 29.848 30.770 87.344 1.00 1.00 ATOM 508 CA GLN 121 30.288 29.782 90.969 1.00 1.00 ATOM 509 CA SER 122 26.642 29.894 92.056 1.00 1.00 ATOM 510 CA SER 123 26.548 26.159 92.779 1.00 1.00 ATOM 511 CA GLU 124 30.182 25.541 93.614 1.00 1.00 ATOM 512 CA ASP 125 32.976 24.094 91.539 1.00 1.00 ATOM 513 CA THR 126 30.580 21.689 89.784 1.00 1.00 ATOM 514 CA SER 127 28.698 24.699 88.427 1.00 1.00 ATOM 515 CA ILE 128 32.036 26.194 87.325 1.00 1.00 ATOM 516 CA SER 129 33.218 23.025 85.588 1.00 1.00 ATOM 517 CA PRO 130 29.760 22.888 84.021 1.00 1.00 ATOM 518 CA HIS 131 30.660 25.862 81.847 1.00 1.00 ATOM 519 CA ASP 146 34.308 25.352 80.916 1.00 1.00 ATOM 520 CA THR 147 36.554 23.646 78.372 1.00 1.00 ATOM 521 CA TYR 148 34.671 20.983 76.395 1.00 1.00 ATOM 522 CA TYR 149 31.445 22.185 78.006 1.00 1.00 ATOM 523 CA TYR 150 31.708 25.928 77.322 1.00 1.00 ATOM 524 CA ARG 151 28.749 25.598 74.939 1.00 1.00 ATOM 525 CA GLY 152 26.657 24.888 78.050 1.00 1.00 ATOM 526 CA VAL 153 26.996 28.604 78.853 1.00 1.00 ATOM 527 CA TYR 154 25.612 29.745 75.502 1.00 1.00 ATOM 528 CA LEU 155 22.850 27.123 75.601 1.00 1.00 ATOM 529 CA ASP 156 21.853 28.180 79.138 1.00 1.00 ATOM 530 CA ALA 157 21.704 31.892 78.173 1.00 1.00 ATOM 531 CA VAL 158 19.762 31.224 74.963 1.00 1.00 ATOM 532 CA ARG 159 17.245 29.180 76.961 1.00 1.00 ATOM 533 CA ALA 160 16.963 32.113 79.379 1.00 1.00 ATOM 534 CA LEU 161 16.023 34.308 76.434 1.00 1.00 ATOM 535 CA GLU 162 13.461 31.749 75.254 1.00 1.00 ATOM 536 CA VAL 163 12.019 31.633 78.794 1.00 1.00 ATOM 537 CA ILE 164 11.446 35.398 78.943 1.00 1.00 ATOM 538 CA SER 165 9.777 35.165 75.505 1.00 1.00 ATOM 539 CA SER 166 7.732 32.036 76.225 1.00 1.00 ATOM 540 CA PHE 167 6.472 33.433 79.542 1.00 1.00 ATOM 541 CA ASP 168 5.462 36.745 77.987 1.00 1.00 ATOM 542 CA GLU 169 7.987 39.082 79.586 1.00 1.00 ATOM 543 CA VAL 170 9.223 40.250 76.193 1.00 1.00 ATOM 544 CA ASP 171 9.655 39.383 72.497 1.00 1.00 ATOM 545 CA GLU 172 12.822 38.829 70.409 1.00 1.00 ATOM 546 CA THR 173 12.541 42.243 68.693 1.00 1.00 ATOM 547 CA ARG 174 12.320 43.912 72.123 1.00 1.00 ATOM 548 CA ILE 175 15.077 41.878 73.773 1.00 1.00 ATOM 549 CA GLY 176 18.543 43.210 74.572 1.00 1.00 ATOM 550 CA VAL 177 21.394 41.081 75.911 1.00 1.00 ATOM 551 CA THR 178 24.487 42.491 77.607 1.00 1.00 ATOM 552 CA GLY 179 27.647 40.961 78.994 1.00 1.00 ATOM 553 CA GLY 180 31.154 42.147 79.791 1.00 1.00 ATOM 554 CA SER 181 34.533 40.461 79.238 1.00 1.00 ATOM 555 CA GLN 182 33.722 36.724 79.476 1.00 1.00 ATOM 556 CA GLY 183 30.121 37.912 79.306 1.00 1.00 ATOM 557 CA GLY 184 31.102 39.860 76.216 1.00 1.00 ATOM 558 CA GLY 185 32.070 36.546 74.616 1.00 1.00 ATOM 559 CA LEU 186 28.746 35.177 75.857 1.00 1.00 ATOM 560 CA THR 187 26.566 37.768 74.099 1.00 1.00 ATOM 561 CA ILE 188 28.680 37.888 70.932 1.00 1.00 ATOM 562 CA ALA 189 28.540 34.103 70.567 1.00 1.00 ATOM 563 CA ALA 190 24.780 34.152 71.188 1.00 1.00 ATOM 564 CA ALA 191 24.416 36.722 68.391 1.00 1.00 ATOM 565 CA ALA 192 26.149 34.355 65.967 1.00 1.00 ATOM 566 CA LEU 193 24.239 31.252 67.087 1.00 1.00 ATOM 567 CA SER 194 20.765 32.714 67.519 1.00 1.00 ATOM 568 CA ASP 195 20.487 36.086 65.714 1.00 1.00 ATOM 570 CA ILE 196 16.381 35.556 69.358 1.00 1.00 ATOM 571 CA PRO 197 17.637 39.080 70.059 1.00 1.00 ATOM 572 CA LYS 198 16.803 42.599 68.979 1.00 1.00 ATOM 573 CA ALA 199 19.912 44.244 70.396 1.00 1.00 ATOM 574 CA ALA 200 23.260 42.993 71.739 1.00 1.00 ATOM 575 CA VAL 201 25.724 45.108 73.727 1.00 1.00 ATOM 576 CA ALA 202 29.093 43.422 74.195 1.00 1.00 ATOM 577 CA ASP 203 31.442 45.179 76.580 1.00 1.00 ATOM 578 CA TYR 204 35.213 44.523 76.629 1.00 1.00 ATOM 579 CA PRO 205 34.674 40.998 75.294 1.00 1.00 ATOM 580 CA TYR 206 37.009 38.159 74.376 1.00 1.00 ATOM 581 CA LEU 207 36.255 37.672 70.677 1.00 1.00 ATOM 582 CA SER 208 39.248 35.872 69.207 1.00 1.00 ATOM 583 CA ASN 209 39.204 32.548 71.064 1.00 1.00 ATOM 584 CA PHE 210 42.131 31.246 68.997 1.00 1.00 ATOM 585 CA GLU 211 44.514 34.005 70.032 1.00 1.00 ATOM 586 CA ARG 212 43.304 35.258 73.433 1.00 1.00 ATOM 587 CA ALA 213 46.192 33.489 75.213 1.00 1.00 ATOM 588 CA ILE 214 48.878 35.471 73.373 1.00 1.00 ATOM 589 CA ASP 215 48.236 38.859 74.965 1.00 1.00 ATOM 590 CA VAL 216 48.801 40.389 78.404 1.00 1.00 ATOM 591 CA ALA 217 47.226 38.105 81.051 1.00 1.00 ATOM 592 CA LEU 218 45.241 36.066 78.521 1.00 1.00 ATOM 593 CA GLU 219 47.289 32.945 79.230 1.00 1.00 ATOM 594 CA GLN 220 45.600 32.648 82.641 1.00 1.00 ATOM 595 CA PRO 221 42.169 32.105 81.086 1.00 1.00 ATOM 596 CA TYR 222 43.064 28.769 79.446 1.00 1.00 ATOM 597 CA LEU 223 41.846 27.011 82.598 1.00 1.00 ATOM 598 CA GLU 224 38.324 28.005 81.522 1.00 1.00 ATOM 599 CA ILE 225 38.628 28.013 77.726 1.00 1.00 ATOM 600 CA ASN 226 41.540 25.707 76.923 1.00 1.00 ATOM 601 CA SER 227 44.199 26.736 74.372 1.00 1.00 ATOM 602 CA PHE 228 44.178 26.528 70.550 1.00 1.00 ATOM 603 CA PHE 229 47.745 25.185 70.761 1.00 1.00 ATOM 604 CA GLU 238 46.070 21.885 71.640 1.00 1.00 ATOM 605 CA VAL 239 44.263 20.107 68.795 1.00 1.00 ATOM 606 CA GLN 240 41.508 18.919 71.140 1.00 1.00 ATOM 607 CA ALA 241 40.982 22.436 72.534 1.00 1.00 ATOM 608 CA MET 242 41.007 24.041 69.098 1.00 1.00 ATOM 609 CA LYS 243 38.057 21.792 68.171 1.00 1.00 ATOM 610 CA THR 244 35.983 23.137 71.058 1.00 1.00 ATOM 611 CA LEU 245 37.078 26.723 70.483 1.00 1.00 ATOM 612 CA SER 246 36.505 26.938 66.700 1.00 1.00 ATOM 613 CA TYR 247 32.841 26.057 67.120 1.00 1.00 ATOM 614 CA PHE 248 32.029 29.108 69.219 1.00 1.00 ATOM 615 CA ASP 249 34.771 31.723 68.785 1.00 1.00 ATOM 616 CA ILE 250 32.775 34.885 67.902 1.00 1.00 ATOM 617 CA MET 251 35.438 36.075 65.458 1.00 1.00 ATOM 618 CA ASN 252 35.270 32.796 63.564 1.00 1.00 ATOM 619 CA LEU 253 31.546 32.275 63.446 1.00 1.00 ATOM 625 CA ALA 254 16.583 32.509 56.295 1.00 1.00 ATOM 626 CA ASP 255 15.718 35.542 54.156 1.00 1.00 ATOM 627 CA ARG 256 13.629 37.023 56.976 1.00 1.00 ATOM 628 CA VAL 257 16.542 36.859 59.439 1.00 1.00 ATOM 629 CA LYS 258 19.357 39.375 59.919 1.00 1.00 ATOM 630 CA VAL 259 21.817 39.992 62.758 1.00 1.00 ATOM 631 CA PRO 260 20.458 42.060 65.668 1.00 1.00 ATOM 632 CA VAL 261 21.725 45.604 66.210 1.00 1.00 ATOM 633 CA LEU 262 25.121 45.380 67.900 1.00 1.00 ATOM 634 CA MET 263 27.282 47.703 69.966 1.00 1.00 ATOM 635 CA SER 264 30.774 46.723 71.069 1.00 1.00 ATOM 637 CA ILE 265 35.951 48.856 74.570 1.00 1.00 ATOM 638 CA GLY 266 38.835 51.192 75.455 1.00 1.00 ATOM 639 CA LEU 267 42.427 51.846 74.389 1.00 1.00 ATOM 640 CA ILE 268 43.911 51.065 77.813 1.00 1.00 ATOM 641 CA ASP 269 42.074 47.786 78.320 1.00 1.00 ATOM 642 CA LYS 270 45.094 45.623 78.913 1.00 1.00 ATOM 643 CA VAL 271 42.946 42.982 80.621 1.00 1.00 ATOM 644 CA THR 272 41.130 42.111 77.383 1.00 1.00 ATOM 645 CA PRO 273 43.146 43.854 74.647 1.00 1.00 ATOM 646 CA PRO 274 40.889 45.980 72.363 1.00 1.00 ATOM 647 CA SER 275 42.063 44.091 69.250 1.00 1.00 ATOM 648 CA THR 276 39.399 41.482 70.080 1.00 1.00 ATOM 649 CA VAL 277 36.605 43.963 69.424 1.00 1.00 ATOM 650 CA PHE 278 38.411 45.661 66.543 1.00 1.00 ATOM 651 CA ALA 279 38.810 42.436 64.575 1.00 1.00 ATOM 652 CA ALA 280 35.308 41.369 65.550 1.00 1.00 ATOM 653 CA TYR 281 33.520 44.550 64.413 1.00 1.00 ATOM 654 CA ASN 282 35.539 44.583 61.181 1.00 1.00 ATOM 655 CA HIS 283 34.318 41.030 60.515 1.00 1.00 ATOM 656 CA LEU 284 30.675 41.837 61.393 1.00 1.00 ATOM 667 CA GLU 285 19.391 47.103 58.318 1.00 1.00 ATOM 668 CA THR 286 20.369 46.837 61.983 1.00 1.00 ATOM 669 CA LYS 287 23.616 48.719 62.839 1.00 1.00 ATOM 670 CA LYS 288 26.830 46.989 63.916 1.00 1.00 ATOM 671 CA GLU 289 29.039 49.539 65.664 1.00 1.00 ATOM 672 CA LEU 290 31.978 49.885 68.002 1.00 1.00 ATOM 673 CA LYS 291 32.917 52.641 70.413 1.00 1.00 ATOM 674 CA VAL 292 36.500 52.803 71.621 1.00 1.00 ATOM 675 CA TYR 293 36.955 55.079 74.635 1.00 1.00 ATOM 676 CA ARG 294 40.132 57.003 75.503 1.00 1.00 ATOM 677 CA TYR 295 41.948 56.990 78.876 1.00 1.00 ATOM 678 CA PHE 296 39.885 54.002 80.048 1.00 1.00 ATOM 679 CA GLY 297 40.537 50.287 80.462 1.00 1.00 ATOM 680 CA HIS 298 38.687 47.100 81.406 1.00 1.00 ATOM 681 CA GLU 299 36.348 48.884 83.822 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:34:08 2002 Date: Tue, 13 Aug 2002 07:34:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0165 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 07:06:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_199323_21436 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS007_4 Current information on models submitted in prediction T0165TS007 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_4 PIN_199323_21436 6269-7633-6117 08/13/02 07:06:01 casp5@bialko.llnl.gov T0165TS007_2 PIN_157701_21423 6269-7633-6117 08/13/02 07:02:03 casp5@bialko.llnl.gov T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 casp5@bialko.llnl.gov T0165TS007_2 PIN_157701_21423 6269-7633-6117 08/13/02 07:02:03 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_4 PIN_199323_21436 6269-7633-6117 08/13/02 07:06:01 casp5@bialko.llnl.gov T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1E5T_A # Loading PARENT structure: 1e5t (chain: A) # Number of residues in PARENT structure: 710 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue D 23 # IMPORTANT NOTE! Not complete main chain atoms for residue F 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue W 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue H 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue E 169 # IMPORTANT NOTE! Not complete main chain atoms for residue V 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue N 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue I 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue N 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue M 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 257 # Total number of atoms in model: 257 # Number of atoms with 1.0 occupancy: 257 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 257 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1E5T_A ATOM 28 CA PRO 21 42.168 41.653 60.210 1.00 1.00 ATOM 29 CA LYS 22 45.210 40.334 62.103 1.00 1.00 ATOM 30 CA ASP 23 46.787 43.748 61.478 1.00 1.00 ATOM 31 CA PHE 24 44.374 45.267 64.031 1.00 1.00 ATOM 32 CA SER 25 46.456 43.416 66.665 1.00 1.00 ATOM 33 CA GLU 26 48.974 46.262 66.529 1.00 1.00 ATOM 34 CA PHE 27 47.531 49.116 68.599 1.00 1.00 ATOM 35 CA TRP 28 50.305 51.510 67.563 1.00 1.00 ATOM 36 CA LYS 29 50.062 51.400 63.779 1.00 1.00 ATOM 37 CA LEU 30 48.653 54.281 61.749 1.00 1.00 ATOM 38 CA SER 31 46.311 51.745 60.133 1.00 1.00 ATOM 39 CA LEU 32 44.833 50.688 63.487 1.00 1.00 ATOM 40 CA GLU 33 44.591 54.267 64.793 1.00 1.00 ATOM 41 CA GLU 34 42.782 55.248 61.558 1.00 1.00 ATOM 42 CA LEU 35 40.390 52.296 61.981 1.00 1.00 ATOM 43 CA ALA 36 39.439 53.336 65.503 1.00 1.00 ATOM 44 CA LYS 37 38.950 56.953 64.395 1.00 1.00 ATOM 45 CA VAL 38 36.722 55.920 61.475 1.00 1.00 ATOM 46 CA GLN 39 34.598 53.674 63.716 1.00 1.00 ATOM 47 CA ALA 40 34.085 56.256 66.456 1.00 1.00 ATOM 48 CA GLU 41 33.212 58.779 63.715 1.00 1.00 ATOM 49 CA PRO 42 30.038 56.836 62.811 1.00 1.00 ATOM 50 CA ASP 43 29.162 55.482 66.266 1.00 1.00 ATOM 51 CA LEU 44 29.157 58.725 68.220 1.00 1.00 ATOM 52 CA GLN 45 26.698 60.639 65.975 1.00 1.00 ATOM 427 CA PRO 46 17.585 57.158 96.470 1.00 1.00 ATOM 428 CA VAL 47 14.803 59.733 96.109 1.00 1.00 ATOM 429 CA ASP 48 13.146 59.231 92.745 1.00 1.00 ATOM 430 CA TYR 49 13.236 55.436 92.864 1.00 1.00 ATOM 431 CA PRO 50 10.452 54.156 95.102 1.00 1.00 ATOM 432 CA ALA 51 11.510 50.550 95.831 1.00 1.00 ATOM 433 CA ASP 52 7.953 49.512 96.734 1.00 1.00 ATOM 434 CA GLY 53 6.870 50.100 93.123 1.00 1.00 ATOM 435 CA VAL 54 8.950 47.118 91.972 1.00 1.00 ATOM 436 CA LYS 55 9.543 43.483 92.827 1.00 1.00 ATOM 437 CA VAL 56 12.279 40.885 92.429 1.00 1.00 ATOM 438 CA TYR 57 11.317 37.307 91.727 1.00 1.00 ATOM 439 CA ARG 58 13.564 34.281 91.429 1.00 1.00 ATOM 440 CA LEU 59 12.653 31.504 89.048 1.00 1.00 ATOM 441 CA THR 60 14.443 28.349 87.929 1.00 1.00 ATOM 442 CA TYR 61 14.175 27.395 84.262 1.00 1.00 ATOM 443 CA LYS 62 15.343 24.215 82.526 1.00 1.00 ATOM 444 CA SER 63 18.212 24.503 80.064 1.00 1.00 ATOM 445 CA PHE 64 18.641 22.339 76.941 1.00 1.00 ATOM 446 CA GLY 65 19.898 19.346 78.944 1.00 1.00 ATOM 447 CA ASN 66 17.262 19.830 81.643 1.00 1.00 ATOM 448 CA ALA 67 19.472 21.491 84.259 1.00 1.00 ATOM 449 CA ARG 68 17.511 24.072 86.261 1.00 1.00 ATOM 450 CA ILE 69 19.169 27.503 86.080 1.00 1.00 ATOM 451 CA THR 70 18.329 30.350 88.505 1.00 1.00 ATOM 452 CA GLY 71 17.177 33.705 87.126 1.00 1.00 ATOM 453 CA TRP 72 16.274 36.936 88.918 1.00 1.00 ATOM 454 CA TYR 73 13.651 39.129 87.234 1.00 1.00 ATOM 455 CA ALA 74 13.021 42.701 88.378 1.00 1.00 ATOM 456 CA VAL 75 9.992 44.625 87.152 1.00 1.00 ATOM 457 CA PRO 76 7.203 47.054 88.024 1.00 1.00 ATOM 461 CA ASP 77 0.751 42.131 82.294 1.00 1.00 ATOM 462 CA LYS 78 2.871 39.312 80.876 1.00 1.00 ATOM 463 CA GLU 79 1.779 40.027 77.296 1.00 1.00 ATOM 464 CA GLY 80 5.247 40.209 75.695 1.00 1.00 ATOM 465 CA PRO 81 5.051 43.974 75.147 1.00 1.00 ATOM 466 CA HIS 82 7.890 45.018 77.468 1.00 1.00 ATOM 467 CA PRO 83 11.494 45.699 76.503 1.00 1.00 ATOM 468 CA ALA 84 13.839 43.486 78.535 1.00 1.00 ATOM 469 CA ILE 85 17.482 43.748 79.542 1.00 1.00 ATOM 470 CA VAL 86 18.973 40.286 80.158 1.00 1.00 ATOM 471 CA LYS 87 22.410 40.072 81.780 1.00 1.00 ATOM 472 CA TYR 88 24.816 37.179 82.188 1.00 1.00 ATOM 473 CA HIS 89 28.490 36.344 82.748 1.00 1.00 ATOM 474 CA GLY 90 28.909 32.551 83.154 1.00 1.00 ATOM 475 CA TYR 91 32.476 31.624 84.006 1.00 1.00 ATOM 476 CA ASN 92 35.517 31.802 86.280 1.00 1.00 ATOM 477 CA ALA 93 33.588 30.672 89.361 1.00 1.00 ATOM 481 CA SER 94 24.416 38.123 92.893 1.00 1.00 ATOM 482 CA TYR 95 21.922 40.985 93.546 1.00 1.00 ATOM 483 CA ASP 96 23.424 44.482 93.313 1.00 1.00 ATOM 484 CA GLY 97 22.083 47.991 93.168 1.00 1.00 ATOM 485 CA GLU 98 22.153 49.645 89.814 1.00 1.00 ATOM 486 CA ILE 99 20.586 53.064 89.212 1.00 1.00 ATOM 487 CA HIS 100 21.295 52.694 85.472 1.00 1.00 ATOM 488 CA GLU 101 19.237 49.528 85.190 1.00 1.00 ATOM 489 CA MET 102 16.460 50.980 87.361 1.00 1.00 ATOM 490 CA VAL 103 16.185 53.958 84.995 1.00 1.00 ATOM 491 CA ASN 104 15.622 51.411 82.219 1.00 1.00 ATOM 492 CA TRP 105 12.819 49.896 84.280 1.00 1.00 ATOM 493 CA ALA 106 11.167 53.145 85.407 1.00 1.00 ATOM 494 CA LEU 107 11.847 55.473 82.467 1.00 1.00 ATOM 495 CA HIS 108 11.934 52.976 79.608 1.00 1.00 ATOM 496 CA GLY 109 9.328 50.587 81.028 1.00 1.00 ATOM 497 CA TYR 110 11.724 47.679 81.002 1.00 1.00 ATOM 498 CA ALA 111 12.137 44.331 82.732 1.00 1.00 ATOM 499 CA THR 112 15.571 43.446 84.145 1.00 1.00 ATOM 500 CA PHE 113 16.757 39.812 84.189 1.00 1.00 ATOM 501 CA GLY 114 19.986 38.215 85.428 1.00 1.00 ATOM 502 CA MET 115 20.557 34.546 84.557 1.00 1.00 ATOM 503 CA LEU 116 22.837 32.520 86.822 1.00 1.00 ATOM 504 CA VAL 117 24.171 30.316 84.020 1.00 1.00 ATOM 505 CA ARG 118 26.848 27.590 84.377 1.00 1.00 ATOM 506 CA GLY 119 30.536 28.492 84.512 1.00 1.00 ATOM 507 CA GLN 120 29.672 30.693 87.487 1.00 1.00 ATOM 508 CA GLN 121 30.138 29.807 91.140 1.00 1.00 ATOM 509 CA SER 122 26.486 29.847 92.200 1.00 1.00 ATOM 510 CA SER 123 26.416 26.140 92.947 1.00 1.00 ATOM 511 CA GLU 124 30.086 25.650 93.688 1.00 1.00 ATOM 512 CA ASP 125 32.863 24.113 91.646 1.00 1.00 ATOM 513 CA THR 126 30.434 21.706 89.934 1.00 1.00 ATOM 514 CA SER 127 28.553 24.731 88.603 1.00 1.00 ATOM 515 CA ILE 128 31.894 26.193 87.501 1.00 1.00 ATOM 516 CA SER 129 33.020 22.996 85.741 1.00 1.00 ATOM 517 CA PRO 130 29.634 22.866 84.038 1.00 1.00 ATOM 518 CA HIS 131 30.517 25.944 81.975 1.00 1.00 ATOM 519 CA ASP 146 34.164 25.470 81.027 1.00 1.00 ATOM 520 CA THR 147 36.408 23.651 78.557 1.00 1.00 ATOM 521 CA TYR 148 34.485 21.049 76.525 1.00 1.00 ATOM 522 CA TYR 149 31.281 22.220 78.173 1.00 1.00 ATOM 523 CA TYR 150 31.566 25.961 77.514 1.00 1.00 ATOM 524 CA ARG 151 28.611 25.603 75.120 1.00 1.00 ATOM 525 CA GLY 152 26.492 24.937 78.224 1.00 1.00 ATOM 526 CA VAL 153 26.877 28.652 79.059 1.00 1.00 ATOM 527 CA TYR 154 25.495 29.756 75.709 1.00 1.00 ATOM 528 CA LEU 155 22.683 27.194 75.780 1.00 1.00 ATOM 529 CA ASP 156 21.782 28.278 79.340 1.00 1.00 ATOM 530 CA ALA 157 21.645 31.950 78.310 1.00 1.00 ATOM 531 CA VAL 158 19.650 31.312 75.144 1.00 1.00 ATOM 532 CA ARG 159 17.200 29.322 77.290 1.00 1.00 ATOM 533 CA ALA 160 16.839 32.267 79.687 1.00 1.00 ATOM 534 CA LEU 161 15.841 34.457 76.717 1.00 1.00 ATOM 535 CA GLU 162 13.383 31.769 75.581 1.00 1.00 ATOM 536 CA VAL 163 11.901 31.705 79.098 1.00 1.00 ATOM 537 CA ILE 164 11.379 35.495 79.232 1.00 1.00 ATOM 538 CA SER 165 9.735 35.286 75.834 1.00 1.00 ATOM 539 CA SER 166 7.474 32.272 76.473 1.00 1.00 ATOM 540 CA PHE 167 6.315 33.522 79.896 1.00 1.00 ATOM 541 CA ASP 168 5.404 36.851 78.368 1.00 1.00 ATOM 542 CA GLU 169 7.935 39.231 79.918 1.00 1.00 ATOM 543 CA VAL 170 9.183 40.340 76.509 1.00 1.00 ATOM 544 CA ASP 171 9.520 39.415 72.815 1.00 1.00 ATOM 545 CA GLU 172 12.533 38.857 70.496 1.00 1.00 ATOM 546 CA THR 173 12.255 42.331 68.906 1.00 1.00 ATOM 547 CA ARG 174 12.225 43.940 72.359 1.00 1.00 ATOM 548 CA ILE 175 14.981 41.935 74.016 1.00 1.00 ATOM 549 CA GLY 176 18.457 43.294 74.730 1.00 1.00 ATOM 550 CA VAL 177 21.267 41.116 76.086 1.00 1.00 ATOM 551 CA THR 178 24.360 42.451 77.844 1.00 1.00 ATOM 552 CA GLY 179 27.583 41.102 79.298 1.00 1.00 ATOM 553 CA GLY 180 31.181 42.194 79.859 1.00 1.00 ATOM 554 CA SER 181 34.576 40.444 79.606 1.00 1.00 ATOM 555 CA GLN 182 33.726 36.715 79.654 1.00 1.00 ATOM 556 CA GLY 183 30.149 38.057 79.504 1.00 1.00 ATOM 557 CA GLY 184 31.053 39.954 76.334 1.00 1.00 ATOM 558 CA GLY 185 32.048 36.601 74.831 1.00 1.00 ATOM 559 CA LEU 186 28.709 35.260 76.084 1.00 1.00 ATOM 560 CA THR 187 26.519 37.793 74.310 1.00 1.00 ATOM 561 CA ILE 188 28.652 37.905 71.141 1.00 1.00 ATOM 562 CA ALA 189 28.439 34.131 70.738 1.00 1.00 ATOM 563 CA ALA 190 24.701 34.255 71.442 1.00 1.00 ATOM 564 CA ALA 191 24.290 36.823 68.659 1.00 1.00 ATOM 565 CA ALA 192 25.992 34.434 66.196 1.00 1.00 ATOM 566 CA LEU 193 24.119 31.308 67.378 1.00 1.00 ATOM 567 CA SER 194 20.617 32.745 67.820 1.00 1.00 ATOM 568 CA ASP 195 20.354 36.111 65.998 1.00 1.00 ATOM 570 CA ILE 196 16.267 35.626 69.601 1.00 1.00 ATOM 571 CA PRO 197 17.611 39.121 70.266 1.00 1.00 ATOM 572 CA LYS 198 16.813 42.639 69.170 1.00 1.00 ATOM 573 CA ALA 199 19.883 44.306 70.652 1.00 1.00 ATOM 574 CA ALA 200 23.230 43.083 71.984 1.00 1.00 ATOM 575 CA VAL 201 25.720 45.168 73.982 1.00 1.00 ATOM 576 CA ALA 202 29.075 43.426 74.425 1.00 1.00 ATOM 577 CA ASP 203 31.459 45.172 76.787 1.00 1.00 ATOM 578 CA TYR 204 35.217 44.538 76.687 1.00 1.00 ATOM 579 CA PRO 205 34.733 41.006 75.408 1.00 1.00 ATOM 580 CA TYR 206 37.086 38.183 74.487 1.00 1.00 ATOM 581 CA LEU 207 36.217 37.600 70.812 1.00 1.00 ATOM 582 CA SER 208 39.224 35.861 69.323 1.00 1.00 ATOM 583 CA ASN 209 39.208 32.527 71.127 1.00 1.00 ATOM 584 CA PHE 210 42.129 31.243 69.077 1.00 1.00 ATOM 585 CA GLU 211 44.516 34.026 70.053 1.00 1.00 ATOM 586 CA ARG 212 43.421 35.272 73.492 1.00 1.00 ATOM 587 CA ALA 213 46.283 33.491 75.258 1.00 1.00 ATOM 588 CA ILE 214 48.965 35.467 73.364 1.00 1.00 ATOM 589 CA ASP 215 48.339 38.833 75.031 1.00 1.00 ATOM 590 CA VAL 216 48.921 40.399 78.453 1.00 1.00 ATOM 591 CA ALA 217 47.331 38.105 81.097 1.00 1.00 ATOM 592 CA LEU 218 45.278 36.078 78.604 1.00 1.00 ATOM 593 CA GLU 219 47.321 32.965 79.315 1.00 1.00 ATOM 594 CA GLN 220 45.655 32.806 82.737 1.00 1.00 ATOM 595 CA PRO 221 42.230 32.086 81.178 1.00 1.00 ATOM 596 CA TYR 222 43.092 28.733 79.598 1.00 1.00 ATOM 597 CA LEU 223 41.765 26.908 82.681 1.00 1.00 ATOM 598 CA GLU 224 38.263 28.099 81.679 1.00 1.00 ATOM 599 CA ILE 225 38.589 28.068 77.899 1.00 1.00 ATOM 600 CA ASN 226 41.313 25.685 76.834 1.00 1.00 ATOM 601 CA SER 227 44.093 26.754 74.475 1.00 1.00 ATOM 602 CA PHE 228 44.171 26.518 70.664 1.00 1.00 ATOM 603 CA PHE 229 47.669 24.994 70.820 1.00 1.00 ATOM 604 CA GLU 238 45.885 21.792 71.843 1.00 1.00 ATOM 605 CA VAL 239 44.037 19.907 69.107 1.00 1.00 ATOM 606 CA GLN 240 41.208 18.824 71.434 1.00 1.00 ATOM 607 CA ALA 241 40.763 22.368 72.748 1.00 1.00 ATOM 608 CA MET 242 40.909 23.932 69.283 1.00 1.00 ATOM 609 CA LYS 243 37.992 21.677 68.358 1.00 1.00 ATOM 610 CA THR 244 35.825 23.141 71.129 1.00 1.00 ATOM 611 CA LEU 245 36.981 26.736 70.629 1.00 1.00 ATOM 612 CA SER 246 36.438 26.944 66.883 1.00 1.00 ATOM 613 CA TYR 247 32.739 26.089 67.306 1.00 1.00 ATOM 614 CA PHE 248 31.863 29.139 69.435 1.00 1.00 ATOM 615 CA ASP 249 34.675 31.697 68.991 1.00 1.00 ATOM 616 CA ILE 250 32.813 34.935 68.111 1.00 1.00 ATOM 617 CA MET 251 35.421 36.067 65.581 1.00 1.00 ATOM 618 CA ASN 252 35.213 32.751 63.693 1.00 1.00 ATOM 619 CA LEU 253 31.453 32.245 63.623 1.00 1.00 ATOM 625 CA ALA 254 16.461 32.632 56.331 1.00 1.00 ATOM 626 CA ASP 255 15.662 35.798 54.374 1.00 1.00 ATOM 627 CA ARG 256 13.520 37.285 57.152 1.00 1.00 ATOM 628 CA VAL 257 16.323 37.006 59.708 1.00 1.00 ATOM 629 CA LYS 258 19.209 39.409 60.191 1.00 1.00 ATOM 630 CA VAL 259 21.658 40.054 63.004 1.00 1.00 ATOM 631 CA PRO 260 20.404 42.007 66.048 1.00 1.00 ATOM 632 CA VAL 261 21.615 45.585 66.471 1.00 1.00 ATOM 633 CA LEU 262 25.030 45.285 68.131 1.00 1.00 ATOM 634 CA MET 263 27.195 47.657 70.117 1.00 1.00 ATOM 635 CA SER 264 30.724 46.691 71.182 1.00 1.00 ATOM 637 CA ILE 265 36.031 48.855 74.624 1.00 1.00 ATOM 638 CA GLY 266 38.834 51.252 75.612 1.00 1.00 ATOM 639 CA LEU 267 42.373 51.870 74.489 1.00 1.00 ATOM 640 CA ILE 268 43.966 51.065 77.845 1.00 1.00 ATOM 641 CA ASP 269 42.070 47.825 78.381 1.00 1.00 ATOM 642 CA LYS 270 45.097 45.668 78.973 1.00 1.00 ATOM 643 CA VAL 271 42.985 42.950 80.648 1.00 1.00 ATOM 644 CA THR 272 41.183 42.041 77.404 1.00 1.00 ATOM 645 CA PRO 273 43.201 43.809 74.705 1.00 1.00 ATOM 646 CA PRO 274 40.932 45.895 72.419 1.00 1.00 ATOM 647 CA SER 275 42.053 44.047 69.277 1.00 1.00 ATOM 648 CA THR 276 39.410 41.453 70.238 1.00 1.00 ATOM 649 CA VAL 277 36.614 43.963 69.663 1.00 1.00 ATOM 650 CA PHE 278 38.394 45.640 66.696 1.00 1.00 ATOM 651 CA ALA 279 38.728 42.393 64.774 1.00 1.00 ATOM 652 CA ALA 280 35.206 41.333 65.686 1.00 1.00 ATOM 653 CA TYR 281 33.509 44.549 64.494 1.00 1.00 ATOM 654 CA ASN 282 35.499 44.560 61.239 1.00 1.00 ATOM 655 CA HIS 283 34.212 41.046 60.610 1.00 1.00 ATOM 656 CA LEU 284 30.586 41.807 61.503 1.00 1.00 ATOM 667 CA GLU 285 19.395 47.121 58.571 1.00 1.00 ATOM 668 CA THR 286 20.326 46.867 62.257 1.00 1.00 ATOM 669 CA LYS 287 23.553 48.771 63.094 1.00 1.00 ATOM 670 CA LYS 288 26.783 46.932 64.048 1.00 1.00 ATOM 671 CA GLU 289 28.898 49.490 65.899 1.00 1.00 ATOM 672 CA LEU 290 31.908 49.873 68.163 1.00 1.00 ATOM 673 CA LYS 291 32.892 52.657 70.542 1.00 1.00 ATOM 674 CA VAL 292 36.522 52.775 71.650 1.00 1.00 ATOM 675 CA TYR 293 36.985 55.106 74.620 1.00 1.00 ATOM 676 CA ARG 294 40.156 56.926 75.635 1.00 1.00 ATOM 677 CA TYR 295 41.935 57.049 79.025 1.00 1.00 ATOM 678 CA PHE 296 40.029 53.966 80.183 1.00 1.00 ATOM 679 CA GLY 297 40.518 50.225 80.485 1.00 1.00 ATOM 680 CA HIS 298 38.632 47.073 81.387 1.00 1.00 ATOM 681 CA GLU 299 36.423 48.963 83.853 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:30:08 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g7DEU7ba026826 for ; Tue, 13 Aug 2002 07:30:07 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id HAA860969 for karplus@soe.ucsc.edu; Tue, 13 Aug 2002 07:30:02 -0700 (PDT) Date: Tue, 13 Aug 2002 07:30:02 -0700 (PDT) From: Automatic Reply Message-Id: <200208131430.HAA860969@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0165 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 07:02:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_157701_21423 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS007_2 Current information on models submitted in prediction T0165TS007 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_2 PIN_157701_21423 6269-7633-6117 08/13/02 07:02:03 casp5@bialko.llnl.gov T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 casp5@bialko.llnl.gov T0165TS007_2 PIN_157701_21423 6269-7633-6117 08/13/02 07:02:03 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1A88_C # Loading PARENT structure: 1a88 (chain: C) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue N 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue I 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue N 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue R 231 # IMPORTANT NOTE! Not complete main chain atoms for residue N 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue M 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 300 # IMPORTANT NOTE! Not complete main chain atoms for residue I 301 # IMPORTANT NOTE! Not complete main chain atoms for residue P 302 # IMPORTANT NOTE! Not complete main chain atoms for residue F 304 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue L 309 # IMPORTANT NOTE! Not complete main chain atoms for residue A 310 # IMPORTANT NOTE! Not complete main chain atoms for residue F 311 # IMPORTANT NOTE! Not complete main chain atoms for residue F 312 # IMPORTANT NOTE! Not complete main chain atoms for residue K 313 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue L 316 # IMPORTANT NOTE! Not complete main chain atoms for residue K 317 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 230 # Total number of atoms in model: 230 # Number of atoms with 1.0 occupancy: 230 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 230 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1A88_C ATOM 2 CA THR 60 35.231 44.836 -16.057 1.00 1.00 ATOM 3 CA TYR 61 38.749 44.487 -14.687 1.00 1.00 ATOM 4 CA LYS 62 39.683 45.565 -11.144 1.00 1.00 ATOM 5 CA SER 63 42.943 47.528 -10.885 1.00 1.00 ATOM 6 CA PHE 64 45.543 47.265 -8.141 1.00 1.00 ATOM 7 CA GLY 65 43.891 50.118 -6.149 1.00 1.00 ATOM 8 CA ASN 66 40.457 48.393 -6.430 1.00 1.00 ATOM 9 CA ALA 67 39.065 50.651 -9.175 1.00 1.00 ATOM 10 CA ARG 68 36.753 48.773 -11.574 1.00 1.00 ATOM 11 CA ILE 69 37.274 49.639 -15.270 1.00 1.00 ATOM 12 CA THR 70 34.509 48.856 -17.769 1.00 1.00 ATOM 13 CA GLY 71 35.528 47.725 -21.273 1.00 1.00 ATOM 14 CA TRP 72 33.970 46.332 -24.458 1.00 1.00 ATOM 15 CA TYR 73 35.604 43.469 -26.426 1.00 1.00 ATOM 16 CA ALA 74 33.876 42.564 -29.681 1.00 1.00 ATOM 17 CA VAL 75 34.821 40.505 -32.762 1.00 1.00 ATOM 18 CA PRO 76 36.711 37.320 -33.507 1.00 1.00 ATOM 19 CA ASP 77 38.874 35.962 -30.745 1.00 1.00 ATOM 20 CA LYS 78 41.738 35.405 -33.198 1.00 1.00 ATOM 21 CA GLU 79 41.325 38.824 -34.854 1.00 1.00 ATOM 22 CA GLY 80 44.245 41.274 -34.524 1.00 1.00 ATOM 23 CA PRO 81 43.308 43.489 -31.506 1.00 1.00 ATOM 24 CA ILE 85 42.612 47.173 -32.218 1.00 1.00 ATOM 25 CA VAL 86 42.329 49.014 -28.864 1.00 1.00 ATOM 26 CA LYS 87 40.741 52.475 -28.694 1.00 1.00 ATOM 27 CA TYR 88 41.440 55.130 -26.075 1.00 1.00 ATOM 28 CA HIS 89 38.838 57.891 -25.881 1.00 1.00 ATOM 29 CA GLY 90 39.456 61.541 -25.215 1.00 1.00 ATOM 30 CA TYR 91 38.372 63.889 -22.439 1.00 1.00 ATOM 31 CA ASN 92 35.804 63.906 -20.944 1.00 1.00 ATOM 32 CA ALA 93 34.193 61.020 -22.818 1.00 1.00 ATOM 33 CA SER 94 33.815 57.241 -22.790 1.00 1.00 ATOM 34 CA TYR 95 34.339 54.043 -24.829 1.00 1.00 ATOM 35 CA ASP 96 31.050 54.918 -26.578 1.00 1.00 ATOM 36 CA GLY 97 32.766 57.777 -28.447 1.00 1.00 ATOM 37 CA GLU 98 34.207 55.083 -30.797 1.00 1.00 ATOM 38 CA ILE 99 30.947 53.474 -32.027 1.00 1.00 ATOM 39 CA HIS 100 31.613 54.391 -35.707 1.00 1.00 ATOM 40 CA GLU 101 35.241 53.150 -35.747 1.00 1.00 ATOM 41 CA MET 102 34.377 50.010 -33.771 1.00 1.00 ATOM 42 CA VAL 103 31.670 48.926 -36.245 1.00 1.00 ATOM 43 CA ASN 104 33.973 49.865 -39.152 1.00 1.00 ATOM 44 CA TRP 105 36.894 47.713 -37.959 1.00 1.00 ATOM 45 CA ALA 106 34.575 44.892 -36.914 1.00 1.00 ATOM 46 CA LEU 107 33.227 44.834 -40.459 1.00 1.00 ATOM 47 CA HIS 108 36.860 44.190 -41.684 1.00 1.00 ATOM 48 CA GLY 109 37.328 41.198 -39.351 1.00 1.00 ATOM 49 CA TYR 110 39.281 42.838 -36.495 1.00 1.00 ATOM 50 CA ALA 111 38.756 42.314 -32.777 1.00 1.00 ATOM 51 CA THR 112 37.939 45.742 -31.280 1.00 1.00 ATOM 52 CA PHE 113 38.426 46.735 -27.630 1.00 1.00 ATOM 53 CA GLY 114 37.682 49.993 -25.857 1.00 1.00 ATOM 54 CA MET 115 37.628 50.860 -22.143 1.00 1.00 ATOM 55 CA LEU 116 36.152 53.665 -20.042 1.00 1.00 ATOM 56 CA VAL 117 39.041 55.581 -18.367 1.00 1.00 ATOM 57 CA ARG 118 38.689 55.595 -14.534 1.00 1.00 ATOM 58 CA GLY 119 36.234 58.261 -13.460 1.00 1.00 ATOM 59 CA GLN 120 34.587 58.159 -16.932 1.00 1.00 ATOM 60 CA GLN 121 31.559 56.454 -18.386 1.00 1.00 ATOM 61 CA SER 122 30.665 53.184 -16.626 1.00 1.00 ATOM 62 CA SER 123 34.000 52.875 -14.726 1.00 1.00 ATOM 63 CA GLU 124 34.236 53.531 -10.970 1.00 1.00 ATOM 64 CA ASP 125 34.765 57.084 -9.756 1.00 1.00 ATOM 65 CA THR 126 37.733 56.802 -7.352 1.00 1.00 ATOM 66 CA SER 127 39.156 59.496 -5.181 1.00 1.00 ATOM 67 CA ASP 146 42.581 59.437 -6.799 1.00 1.00 ATOM 68 CA THR 147 44.626 58.202 -9.715 1.00 1.00 ATOM 69 CA TYR 148 43.665 61.003 -12.168 1.00 1.00 ATOM 70 CA TYR 149 47.078 61.257 -13.859 1.00 1.00 ATOM 71 CA TYR 150 48.840 59.760 -16.940 1.00 1.00 ATOM 72 CA ARG 151 51.005 57.295 -15.015 1.00 1.00 ATOM 73 CA GLY 152 47.944 55.749 -13.477 1.00 1.00 ATOM 74 CA VAL 153 45.948 55.827 -16.746 1.00 1.00 ATOM 75 CA TYR 154 48.801 53.887 -18.489 1.00 1.00 ATOM 76 CA LEU 155 48.972 51.365 -15.568 1.00 1.00 ATOM 77 CA ASP 156 45.197 50.850 -15.797 1.00 1.00 ATOM 78 CA ALA 157 45.657 50.063 -19.540 1.00 1.00 ATOM 79 CA VAL 158 48.506 47.662 -18.666 1.00 1.00 ATOM 80 CA ARG 159 46.170 45.918 -16.208 1.00 1.00 ATOM 81 CA ALA 160 43.561 45.443 -18.937 1.00 1.00 ATOM 82 CA LEU 161 45.948 44.228 -21.670 1.00 1.00 ATOM 83 CA GLU 162 47.478 41.778 -19.222 1.00 1.00 ATOM 84 CA VAL 163 44.047 40.432 -18.265 1.00 1.00 ATOM 85 CA ILE 164 43.064 39.952 -21.918 1.00 1.00 ATOM 86 CA SER 165 46.595 38.766 -22.770 1.00 1.00 ATOM 87 CA GLU 172 46.823 40.970 -25.852 1.00 1.00 ATOM 88 CA THR 173 49.716 40.369 -28.228 1.00 1.00 ATOM 89 CA ARG 174 50.638 42.567 -31.179 1.00 1.00 ATOM 90 CA ILE 175 47.831 45.075 -30.635 1.00 1.00 ATOM 91 CA GLY 176 47.270 48.353 -32.448 1.00 1.00 ATOM 92 CA VAL 177 46.534 51.202 -29.985 1.00 1.00 ATOM 93 CA THR 178 44.476 54.142 -31.302 1.00 1.00 ATOM 94 CA GLY 179 44.187 57.233 -29.029 1.00 1.00 ATOM 95 CA GLY 180 42.183 60.416 -29.519 1.00 1.00 ATOM 96 CA SER 181 43.110 63.671 -27.720 1.00 1.00 ATOM 97 CA GLN 182 43.864 62.932 -24.056 1.00 1.00 ATOM 98 CA GLY 183 43.672 59.253 -25.073 1.00 1.00 ATOM 99 CA GLY 184 46.686 59.867 -27.391 1.00 1.00 ATOM 100 CA GLY 185 48.793 60.915 -24.362 1.00 1.00 ATOM 101 CA LEU 186 47.672 57.767 -22.506 1.00 1.00 ATOM 102 CA THR 187 48.627 55.624 -25.562 1.00 1.00 ATOM 103 CA ILE 188 52.084 57.279 -25.748 1.00 1.00 ATOM 104 CA ALA 189 52.727 56.542 -22.053 1.00 1.00 ATOM 105 CA ALA 190 51.420 53.007 -22.240 1.00 1.00 ATOM 106 CA ALA 191 53.282 52.075 -25.432 1.00 1.00 ATOM 107 CA ALA 192 56.611 53.481 -24.119 1.00 1.00 ATOM 108 CA LEU 193 56.414 51.177 -21.105 1.00 1.00 ATOM 110 CA SER 194 55.943 44.610 -22.063 1.00 1.00 ATOM 111 CA ASP 195 57.560 42.867 -25.027 1.00 1.00 ATOM 113 CA ILE 196 52.100 43.596 -26.428 1.00 1.00 ATOM 114 CA PRO 197 52.130 46.392 -29.035 1.00 1.00 ATOM 115 CA LYS 198 52.542 46.264 -32.842 1.00 1.00 ATOM 116 CA ALA 199 51.628 49.857 -33.819 1.00 1.00 ATOM 117 CA ALA 200 50.038 53.024 -32.460 1.00 1.00 ATOM 118 CA VAL 201 47.932 55.903 -33.822 1.00 1.00 ATOM 119 CA ALA 202 47.763 59.371 -32.200 1.00 1.00 ATOM 120 CA ASP 203 44.673 61.224 -33.438 1.00 1.00 ATOM 121 CA TYR 204 44.364 64.928 -32.570 1.00 1.00 ATOM 122 CA PRO 205 46.571 64.053 -29.589 1.00 1.00 ATOM 123 CA TYR 206 48.061 66.123 -26.777 1.00 1.00 ATOM 124 CA LEU 207 51.776 65.192 -27.048 1.00 1.00 ATOM 125 CA SER 208 54.272 66.407 -26.819 1.00 1.00 ATOM 126 CA ASN 209 53.063 69.039 -24.303 1.00 1.00 ATOM 145 CA PHE 210 38.035 75.285 -18.235 1.00 1.00 ATOM 146 CA GLU 211 38.531 74.323 -14.577 1.00 1.00 ATOM 147 CA ARG 212 36.373 77.225 -13.405 1.00 1.00 ATOM 148 CA ALA 213 33.544 76.653 -15.885 1.00 1.00 ATOM 149 CA ILE 214 33.482 72.917 -15.136 1.00 1.00 ATOM 150 CA ASP 215 33.302 73.428 -11.368 1.00 1.00 ATOM 151 CA VAL 216 30.581 76.092 -11.560 1.00 1.00 ATOM 152 CA ALA 217 28.093 74.320 -13.780 1.00 1.00 ATOM 153 CA LEU 218 29.350 71.130 -15.418 1.00 1.00 ATOM 154 CA GLU 219 26.011 70.422 -17.114 1.00 1.00 ATOM 155 CA GLN 220 26.073 73.763 -18.986 1.00 1.00 ATOM 156 CA PRO 221 29.848 73.664 -19.828 1.00 1.00 ATOM 157 CA TYR 222 29.287 70.192 -21.380 1.00 1.00 ATOM 158 CA LEU 223 26.749 71.707 -23.803 1.00 1.00 ATOM 159 CA GLU 224 29.022 74.689 -24.636 1.00 1.00 ATOM 160 CA ILE 225 32.144 72.683 -25.502 1.00 1.00 ATOM 161 CA ASN 226 30.598 70.320 -28.113 1.00 1.00 ATOM 162 CA SER 227 28.376 73.197 -29.331 1.00 1.00 ATOM 163 CA PHE 228 31.364 75.449 -30.087 1.00 1.00 ATOM 164 CA PHE 229 34.932 74.305 -30.439 1.00 1.00 ATOM 165 CA ARG 230 34.942 70.526 -30.264 1.00 1.00 ATOM 166 CA ARG 231 33.346 69.631 -33.592 1.00 1.00 ATOM 167 CA ASN 232 33.872 72.961 -35.365 1.00 1.00 ATOM 168 CA GLY 233 30.133 73.657 -35.344 1.00 1.00 ATOM 169 CA SER 234 30.908 77.317 -34.643 1.00 1.00 ATOM 170 CA PRO 235 32.391 77.662 -38.176 1.00 1.00 ATOM 171 CA GLU 236 30.229 79.294 -40.868 1.00 1.00 ATOM 194 CA THR 237 38.150 63.060 -12.512 1.00 1.00 ATOM 195 CA GLU 238 37.102 65.413 -15.294 1.00 1.00 ATOM 196 CA VAL 239 38.410 68.407 -13.325 1.00 1.00 ATOM 197 CA GLN 240 41.775 66.815 -12.400 1.00 1.00 ATOM 198 CA ALA 241 42.257 65.352 -15.887 1.00 1.00 ATOM 199 CA MET 242 42.595 68.880 -17.319 1.00 1.00 ATOM 200 CA LYS 243 45.972 69.314 -15.601 1.00 1.00 ATOM 201 CA THR 244 46.910 65.758 -16.574 1.00 1.00 ATOM 202 CA LEU 245 46.384 66.261 -20.325 1.00 1.00 ATOM 203 CA SER 246 47.612 69.848 -20.624 1.00 1.00 ATOM 204 CA TYR 247 50.632 69.877 -18.286 1.00 1.00 ATOM 205 CA PHE 248 52.101 66.402 -18.771 1.00 1.00 ATOM 206 CA ASP 249 55.248 66.397 -20.882 1.00 1.00 ATOM 207 CA ILE 250 55.266 63.289 -23.081 1.00 1.00 ATOM 208 CA MET 251 58.624 64.099 -24.743 1.00 1.00 ATOM 209 CA ASN 252 60.469 61.155 -23.195 1.00 1.00 ATOM 210 CA LEU 253 57.561 58.806 -23.882 1.00 1.00 ATOM 211 CA ALA 254 57.722 59.636 -27.589 1.00 1.00 ATOM 212 CA ASP 255 61.480 59.118 -27.717 1.00 1.00 ATOM 213 CA ARG 256 61.088 55.575 -26.360 1.00 1.00 ATOM 214 CA VAL 257 58.458 54.314 -28.825 1.00 1.00 ATOM 215 CA LYS 258 59.975 52.291 -31.652 1.00 1.00 ATOM 216 CA VAL 259 56.889 50.798 -33.313 1.00 1.00 ATOM 217 CA PRO 260 55.352 52.503 -36.366 1.00 1.00 ATOM 218 CA VAL 261 53.111 55.427 -35.238 1.00 1.00 ATOM 219 CA LEU 262 50.513 57.297 -37.337 1.00 1.00 ATOM 220 CA MET 263 50.075 60.927 -36.232 1.00 1.00 ATOM 221 CA SER 264 46.815 62.322 -37.609 1.00 1.00 ATOM 222 CA ILE 265 45.539 65.826 -36.923 1.00 1.00 ATOM 223 CA GLY 266 43.032 68.346 -38.269 1.00 1.00 ATOM 224 CA LEU 267 44.472 71.791 -39.093 1.00 1.00 ATOM 225 CA ILE 268 41.519 73.755 -37.613 1.00 1.00 ATOM 226 CA ASP 269 41.582 71.885 -34.260 1.00 1.00 ATOM 227 CA LYS 270 40.328 74.415 -31.701 1.00 1.00 ATOM 228 CA VAL 271 41.020 72.221 -28.635 1.00 1.00 ATOM 229 CA THR 272 44.528 70.852 -29.273 1.00 1.00 ATOM 230 CA PRO 273 46.249 73.311 -31.630 1.00 1.00 ATOM 231 CA PRO 274 47.817 71.517 -34.625 1.00 1.00 ATOM 232 CA SER 275 51.184 73.351 -34.812 1.00 1.00 ATOM 233 CA THR 276 52.153 72.601 -31.197 1.00 1.00 ATOM 234 CA VAL 277 51.171 68.956 -31.477 1.00 1.00 ATOM 235 CA PHE 278 51.278 66.791 -34.616 1.00 1.00 ATOM 236 CA ALA 279 54.444 68.088 -36.342 1.00 1.00 ATOM 237 CA ALA 280 56.364 68.093 -33.046 1.00 1.00 ATOM 238 CA TYR 281 55.226 64.603 -32.163 1.00 1.00 ATOM 239 CA ASN 282 56.168 63.394 -35.638 1.00 1.00 ATOM 240 CA HIS 283 59.723 64.834 -35.333 1.00 1.00 ATOM 241 CA LEU 284 60.260 63.135 -31.951 1.00 1.00 ATOM 242 CA GLU 285 59.077 59.692 -32.994 1.00 1.00 ATOM 243 CA THR 286 61.536 57.250 -34.607 1.00 1.00 ATOM 244 CA LYS 287 59.063 55.752 -37.142 1.00 1.00 ATOM 245 CA LYS 288 56.152 58.137 -37.623 1.00 1.00 ATOM 246 CA GLU 289 53.908 59.015 -40.537 1.00 1.00 ATOM 247 CA LEU 290 52.253 62.438 -40.301 1.00 1.00 ATOM 248 CA LYS 291 48.825 63.040 -41.903 1.00 1.00 ATOM 249 CA VAL 292 47.299 66.547 -41.813 1.00 1.00 ATOM 250 CA TYR 293 43.596 67.049 -42.581 1.00 1.00 ATOM 251 CA ARG 294 43.084 70.558 -43.852 1.00 1.00 ATOM 252 CA TYR 295 40.315 72.395 -42.020 1.00 1.00 ATOM 253 CA PHE 296 39.088 69.456 -39.901 1.00 1.00 ATOM 254 CA GLY 297 38.145 69.856 -36.267 1.00 1.00 ATOM 255 CA HIS 298 39.214 68.187 -33.036 1.00 1.00 ATOM 256 CA GLU 299 36.216 65.839 -33.232 1.00 1.00 ATOM 257 CA TYR 300 36.996 64.738 -36.816 1.00 1.00 ATOM 258 CA ILE 301 36.637 60.982 -36.213 1.00 1.00 ATOM 259 CA PRO 302 32.947 61.654 -35.718 1.00 1.00 ATOM 260 CA PHE 304 32.320 64.549 -38.150 1.00 1.00 ATOM 261 CA GLN 305 34.351 63.084 -41.066 1.00 1.00 ATOM 262 CA THR 306 34.659 59.329 -40.610 1.00 1.00 ATOM 263 CA GLU 307 34.450 58.809 -44.371 1.00 1.00 ATOM 264 CA LYS 308 37.815 60.680 -44.565 1.00 1.00 ATOM 265 CA LEU 309 39.601 59.210 -41.507 1.00 1.00 ATOM 266 CA ALA 310 38.464 55.565 -41.474 1.00 1.00 ATOM 267 CA PHE 311 40.123 54.678 -44.854 1.00 1.00 ATOM 268 CA PHE 312 43.410 56.182 -43.621 1.00 1.00 ATOM 269 CA LYS 313 43.249 54.314 -40.286 1.00 1.00 ATOM 270 CA GLN 314 42.568 51.030 -42.104 1.00 1.00 ATOM 271 CA HIS 315 45.397 51.569 -44.612 1.00 1.00 ATOM 272 CA LEU 316 47.782 52.203 -41.699 1.00 1.00 ATOM 273 CA LYS 317 46.669 49.049 -39.869 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:28:19 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g7DESIEA026664 for ; Tue, 13 Aug 2002 07:28:18 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id HAA860169 for karplus@soe.ucsc.edu; Tue, 13 Aug 2002 07:28:13 -0700 (PDT) Date: Tue, 13 Aug 2002 07:28:13 -0700 (PDT) From: Automatic Reply Message-Id: <200208131428.HAA860169@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0165 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 07:00:21 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_137352_21418 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS007_5 Current information on models submitted in prediction T0165TS007 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 casp5@bialko.llnl.gov T0165TS007_3 PIN_731801_21415 6269-7633-6117 08/13/02 06:59:26 casp5@bialko.llnl.gov T0165TS007_5 PIN_137352_21418 6269-7633-6117 08/13/02 07:00:21 casp5@bialko.llnl.gov T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JFR_A # Loading PARENT structure: 1jfr (chain: A) # Number of residues in PARENT structure: 260 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue H 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue E 169 # IMPORTANT NOTE! Not complete main chain atoms for residue V 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 300 # IMPORTANT NOTE! Not complete main chain atoms for residue I 301 # IMPORTANT NOTE! Not complete main chain atoms for residue P 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue F 304 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue L 309 # IMPORTANT NOTE! Not complete main chain atoms for residue A 310 # IMPORTANT NOTE! Not complete main chain atoms for residue F 311 # IMPORTANT NOTE! Not complete main chain atoms for residue F 312 # IMPORTANT NOTE! Not complete main chain atoms for residue K 313 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue L 316 # IMPORTANT NOTE! Not complete main chain atoms for residue K 317 # IMPORTANT NOTE! Not complete main chain atoms for residue G 318 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 198 # Total number of atoms in model: 198 # Number of atoms with 1.0 occupancy: 198 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 198 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JFR_A ATOM 17 CA PRO 46 15.301 -9.798 5.943 1.00 1.00 ATOM 18 CA VAL 47 15.253 -11.171 2.383 1.00 1.00 ATOM 19 CA ASP 48 18.575 -12.367 0.932 1.00 1.00 ATOM 20 CA TYR 49 17.827 -10.643 -2.369 1.00 1.00 ATOM 21 CA PRO 50 16.033 -7.288 -2.495 1.00 1.00 ATOM 22 CA ALA 51 13.886 -5.946 -5.333 1.00 1.00 ATOM 23 CA ASP 52 16.700 -4.805 -7.671 1.00 1.00 ATOM 24 CA GLY 53 18.367 -7.297 -10.020 1.00 1.00 ATOM 25 CA VAL 54 22.135 -6.686 -9.736 1.00 1.00 ATOM 26 CA LYS 55 25.283 -6.826 -11.836 1.00 1.00 ATOM 27 CA VAL 56 28.969 -6.729 -10.924 1.00 1.00 ATOM 28 CA TYR 57 32.304 -5.527 -12.274 1.00 1.00 ATOM 29 CA ARG 58 35.880 -6.024 -11.040 1.00 1.00 ATOM 30 CA LEU 59 38.426 -3.269 -10.471 1.00 1.00 ATOM 34 CA THR 60 43.993 0.431 -12.108 1.00 1.00 ATOM 35 CA TYR 61 42.966 1.325 -8.540 1.00 1.00 ATOM 36 CA LYS 62 44.670 4.439 -7.189 1.00 1.00 ATOM 37 CA SER 63 45.375 4.334 -3.459 1.00 1.00 ATOM 39 CA ILE 69 44.042 -2.693 -3.621 1.00 1.00 ATOM 40 CA THR 70 41.212 -2.984 -6.179 1.00 1.00 ATOM 41 CA GLY 71 37.775 -4.556 -5.528 1.00 1.00 ATOM 42 CA TRP 72 34.361 -5.560 -6.847 1.00 1.00 ATOM 43 CA TYR 73 31.467 -3.238 -7.568 1.00 1.00 ATOM 44 CA ALA 74 27.904 -4.556 -7.149 1.00 1.00 ATOM 45 CA VAL 75 25.118 -2.399 -8.615 1.00 1.00 ATOM 46 CA PRO 76 21.465 -2.483 -9.661 1.00 1.00 ATOM 47 CA ASP 77 21.169 -3.322 -13.352 1.00 1.00 ATOM 48 CA LYS 78 18.280 -0.958 -13.932 1.00 1.00 ATOM 51 CA GLU 79 14.722 4.681 -11.360 1.00 1.00 ATOM 52 CA GLY 80 17.661 7.144 -11.318 1.00 1.00 ATOM 53 CA PRO 81 21.040 7.107 -9.577 1.00 1.00 ATOM 54 CA HIS 82 21.832 5.443 -6.247 1.00 1.00 ATOM 55 CA PRO 83 23.900 6.195 -3.157 1.00 1.00 ATOM 56 CA ALA 84 27.138 4.217 -2.746 1.00 1.00 ATOM 57 CA ILE 85 28.818 2.337 0.080 1.00 1.00 ATOM 58 CA VAL 86 32.445 1.121 0.238 1.00 1.00 ATOM 59 CA LYS 87 33.354 -1.796 2.490 1.00 1.00 ATOM 60 CA TYR 88 36.751 -2.737 3.905 1.00 1.00 ATOM 61 CA HIS 89 37.875 -6.104 5.283 1.00 1.00 ATOM 62 CA GLY 90 39.992 -6.486 8.444 1.00 1.00 ATOM 63 CA TYR 91 43.589 -7.360 9.354 1.00 1.00 ATOM 64 CA ASN 92 45.026 -10.198 7.217 1.00 1.00 ATOM 65 CA ALA 93 41.699 -10.448 5.337 1.00 1.00 ATOM 66 CA SER 94 40.602 -10.058 1.712 1.00 1.00 ATOM 67 CA TYR 95 37.342 -9.321 -0.139 1.00 1.00 ATOM 68 CA ASP 96 36.153 -12.905 0.373 1.00 1.00 ATOM 69 CA GLY 97 35.488 -12.055 4.054 1.00 1.00 ATOM 70 CA GLU 98 32.932 -9.341 3.185 1.00 1.00 ATOM 71 CA ILE 99 31.706 -10.452 -0.231 1.00 1.00 ATOM 72 CA HIS 100 28.260 -11.619 0.986 1.00 1.00 ATOM 73 CA GLU 101 27.321 -7.971 1.691 1.00 1.00 ATOM 74 CA MET 102 27.813 -7.038 -1.988 1.00 1.00 ATOM 75 CA VAL 103 24.740 -8.578 -3.601 1.00 1.00 ATOM 76 CA ASN 104 22.709 -8.449 -0.396 1.00 1.00 ATOM 77 CA TRP 105 22.945 -4.657 -0.036 1.00 1.00 ATOM 78 CA ALA 106 23.134 -3.795 -3.739 1.00 1.00 ATOM 79 CA LEU 107 19.790 -5.553 -4.451 1.00 1.00 ATOM 80 CA HIS 108 18.128 -3.085 -2.043 1.00 1.00 ATOM 81 CA GLY 109 19.168 -0.178 -4.314 1.00 1.00 ATOM 82 CA TYR 110 22.805 0.684 -3.545 1.00 1.00 ATOM 83 CA ALA 111 26.106 0.711 -5.470 1.00 1.00 ATOM 84 CA THR 112 28.389 -1.339 -3.197 1.00 1.00 ATOM 85 CA PHE 113 32.177 -1.571 -3.526 1.00 1.00 ATOM 86 CA GLY 114 33.969 -4.295 -1.583 1.00 1.00 ATOM 87 CA MET 115 37.681 -3.436 -1.620 1.00 1.00 ATOM 88 CA LEU 116 41.027 -5.076 -0.972 1.00 1.00 ATOM 89 CA VAL 117 43.563 -2.888 0.872 1.00 1.00 ATOM 90 CA ARG 118 47.114 -2.118 -0.309 1.00 1.00 ATOM 91 CA GLY 119 48.482 -4.772 2.041 1.00 1.00 ATOM 92 CA GLN 120 46.562 -7.001 4.491 1.00 1.00 ATOM 94 CA TYR 148 47.446 -1.951 6.889 1.00 1.00 ATOM 95 CA TYR 149 46.312 -0.184 10.077 1.00 1.00 ATOM 96 CA TYR 150 42.964 1.560 10.689 1.00 1.00 ATOM 97 CA ARG 151 44.125 5.065 9.700 1.00 1.00 ATOM 98 CA GLY 152 45.469 3.743 6.388 1.00 1.00 ATOM 99 CA VAL 153 42.254 1.771 5.843 1.00 1.00 ATOM 100 CA TYR 154 40.272 4.985 6.335 1.00 1.00 ATOM 101 CA LEU 155 42.301 6.723 3.621 1.00 1.00 ATOM 102 CA ASP 156 41.787 3.760 1.309 1.00 1.00 ATOM 103 CA ALA 157 38.012 3.855 1.809 1.00 1.00 ATOM 104 CA VAL 158 38.006 7.497 0.683 1.00 1.00 ATOM 105 CA ARG 159 40.296 6.762 -2.288 1.00 1.00 ATOM 106 CA ALA 160 37.941 3.958 -3.340 1.00 1.00 ATOM 107 CA LEU 161 34.953 6.326 -3.180 1.00 1.00 ATOM 108 CA GLU 162 36.943 8.832 -5.282 1.00 1.00 ATOM 109 CA VAL 163 37.703 6.134 -7.855 1.00 1.00 ATOM 110 CA ILE 164 34.092 4.891 -7.912 1.00 1.00 ATOM 111 CA SER 165 32.487 8.323 -8.373 1.00 1.00 ATOM 112 CA SER 166 35.057 9.993 -10.627 1.00 1.00 ATOM 117 CA PHE 167 30.157 6.432 -12.060 1.00 1.00 ATOM 118 CA ASP 168 27.036 7.586 -13.933 1.00 1.00 ATOM 119 CA GLU 169 24.855 5.259 -11.805 1.00 1.00 ATOM 120 CA VAL 170 26.094 6.838 -8.587 1.00 1.00 ATOM 121 CA ASP 171 24.991 10.015 -6.820 1.00 1.00 ATOM 122 CA GLU 172 28.358 11.288 -5.559 1.00 1.00 ATOM 123 CA THR 173 26.727 13.437 -2.835 1.00 1.00 ATOM 124 CA ARG 174 25.283 10.405 -0.979 1.00 1.00 ATOM 125 CA ILE 175 28.073 8.112 0.198 1.00 1.00 ATOM 126 CA GLY 176 28.695 5.775 3.116 1.00 1.00 ATOM 127 CA VAL 177 31.426 3.587 4.587 1.00 1.00 ATOM 128 CA THR 178 31.439 0.187 6.306 1.00 1.00 ATOM 129 CA GLY 179 34.125 -2.299 7.392 1.00 1.00 ATOM 130 CA GLY 180 34.893 -5.374 9.494 1.00 1.00 ATOM 131 CA SER 181 37.365 -5.307 12.397 1.00 1.00 ATOM 132 CA GLN 182 40.295 -2.981 11.552 1.00 1.00 ATOM 133 CA GLY 183 38.262 -2.012 8.437 1.00 1.00 ATOM 134 CA GLY 184 35.509 -0.959 10.861 1.00 1.00 ATOM 135 CA GLY 185 38.030 1.164 12.780 1.00 1.00 ATOM 136 CA LEU 186 38.948 2.551 9.313 1.00 1.00 ATOM 137 CA THR 187 35.305 3.519 8.670 1.00 1.00 ATOM 138 CA ILE 188 35.425 5.801 11.722 1.00 1.00 ATOM 139 CA ALA 189 38.726 7.311 10.531 1.00 1.00 ATOM 140 CA ALA 190 37.134 7.972 7.136 1.00 1.00 ATOM 141 CA ALA 191 34.107 9.689 8.735 1.00 1.00 ATOM 142 CA ALA 192 36.523 11.838 10.770 1.00 1.00 ATOM 143 CA LEU 193 38.248 13.072 7.570 1.00 1.00 ATOM 144 CA SER 194 35.109 13.449 5.483 1.00 1.00 ATOM 146 CA ASP 195 29.849 14.835 4.629 1.00 1.00 ATOM 147 CA ILE 196 29.570 11.018 4.622 1.00 1.00 ATOM 148 CA PRO 197 25.914 10.063 5.179 1.00 1.00 ATOM 149 CA LYS 198 26.398 6.753 7.045 1.00 1.00 ATOM 150 CA ALA 199 29.125 4.779 8.816 1.00 1.00 ATOM 151 CA ALA 200 28.758 1.153 9.968 1.00 1.00 ATOM 152 CA VAL 201 31.684 -0.524 11.761 1.00 1.00 ATOM 153 CA ALA 202 31.157 -4.315 12.129 1.00 1.00 ATOM 154 CA ASP 203 32.946 -5.637 15.262 1.00 1.00 ATOM 155 CA TYR 204 35.308 -2.692 14.893 1.00 1.00 ATOM 156 CA PRO 205 38.905 -2.521 16.122 1.00 1.00 ATOM 157 CA TYR 206 40.856 0.698 16.716 1.00 1.00 ATOM 158 CA LEU 207 43.373 1.921 19.281 1.00 1.00 ATOM 159 CA MET 251 41.766 5.385 19.065 1.00 1.00 ATOM 160 CA ASN 252 38.678 5.056 21.247 1.00 1.00 ATOM 161 CA LEU 253 37.077 8.528 21.220 1.00 1.00 ATOM 162 CA ALA 254 35.201 10.080 18.262 1.00 1.00 ATOM 163 CA ASP 255 33.592 13.396 19.265 1.00 1.00 ATOM 164 CA ARG 256 34.279 14.927 15.833 1.00 1.00 ATOM 165 CA VAL 257 31.834 12.721 13.894 1.00 1.00 ATOM 166 CA LYS 258 28.803 14.209 12.159 1.00 1.00 ATOM 167 CA VAL 259 27.945 11.023 10.262 1.00 1.00 ATOM 168 CA PRO 260 25.057 8.882 11.549 1.00 1.00 ATOM 169 CA VAL 261 26.761 5.747 12.808 1.00 1.00 ATOM 170 CA LEU 262 25.492 2.258 13.605 1.00 1.00 ATOM 171 CA MET 263 28.048 0.402 15.793 1.00 1.00 ATOM 172 CA SER 264 27.726 -3.384 15.499 1.00 1.00 ATOM 173 CA ILE 265 29.361 -5.479 18.238 1.00 1.00 ATOM 174 CA GLY 266 29.383 -9.199 19.075 1.00 1.00 ATOM 175 CA LEU 267 28.812 -10.462 22.642 1.00 1.00 ATOM 176 CA ILE 268 31.459 -13.214 22.410 1.00 1.00 ATOM 177 CA ASP 269 34.113 -11.255 20.487 1.00 1.00 ATOM 178 CA LYS 270 37.525 -11.853 22.036 1.00 1.00 ATOM 179 CA VAL 271 39.460 -10.082 19.269 1.00 1.00 ATOM 180 CA THR 272 37.816 -6.672 19.513 1.00 1.00 ATOM 181 CA PRO 273 35.924 -6.951 22.812 1.00 1.00 ATOM 182 CA PRO 274 32.887 -4.658 22.947 1.00 1.00 ATOM 183 CA SER 275 34.004 -3.439 26.395 1.00 1.00 ATOM 184 CA THR 276 37.197 -1.853 24.980 1.00 1.00 ATOM 186 CA VAL 277 32.660 -0.973 20.235 1.00 1.00 ATOM 187 CA PHE 278 31.089 0.421 23.459 1.00 1.00 ATOM 188 CA ALA 279 33.732 3.119 23.957 1.00 1.00 ATOM 189 CA ALA 280 33.284 4.094 20.296 1.00 1.00 ATOM 190 CA TYR 281 29.507 4.375 20.736 1.00 1.00 ATOM 191 CA ASN 282 29.657 6.258 24.049 1.00 1.00 ATOM 192 CA HIS 283 32.162 8.830 22.752 1.00 1.00 ATOM 193 CA LEU 284 30.008 9.863 19.755 1.00 1.00 ATOM 194 CA GLU 285 28.222 13.216 20.173 1.00 1.00 ATOM 197 CA THR 286 24.165 12.519 16.648 1.00 1.00 ATOM 198 CA LYS 287 21.717 10.017 15.130 1.00 1.00 ATOM 199 CA LYS 288 23.509 6.822 16.287 1.00 1.00 ATOM 200 CA GLU 289 22.888 3.260 17.467 1.00 1.00 ATOM 201 CA LEU 290 24.645 0.326 19.090 1.00 1.00 ATOM 202 CA LYS 291 23.655 -3.219 18.114 1.00 1.00 ATOM 203 CA VAL 292 25.212 -6.067 20.094 1.00 1.00 ATOM 204 CA TYR 293 24.624 -9.483 18.529 1.00 1.00 ATOM 205 CA ARG 294 23.763 -12.381 20.833 1.00 1.00 ATOM 206 CA TYR 295 25.755 -15.619 20.587 1.00 1.00 ATOM 207 CA PHE 296 28.203 -14.156 18.078 1.00 1.00 ATOM 208 CA GLY 297 31.963 -13.925 17.678 1.00 1.00 ATOM 209 CA HIS 298 34.469 -11.708 15.882 1.00 1.00 ATOM 214 CA GLU 299 29.165 -15.032 6.863 1.00 1.00 ATOM 215 CA TYR 300 25.574 -14.136 5.903 1.00 1.00 ATOM 216 CA ILE 301 23.728 -12.849 8.971 1.00 1.00 ATOM 217 CA PRO 302 20.086 -11.707 8.806 1.00 1.00 ATOM 218 CA ALA 303 20.382 -9.418 11.849 1.00 1.00 ATOM 219 CA PHE 304 23.429 -7.592 10.462 1.00 1.00 ATOM 220 CA GLN 305 21.722 -7.371 7.068 1.00 1.00 ATOM 221 CA THR 306 18.329 -6.047 8.174 1.00 1.00 ATOM 222 CA GLU 307 19.728 -3.255 10.385 1.00 1.00 ATOM 223 CA LYS 308 22.464 -2.380 7.877 1.00 1.00 ATOM 224 CA LEU 309 19.881 -2.038 5.111 1.00 1.00 ATOM 225 CA ALA 310 17.575 0.058 7.300 1.00 1.00 ATOM 226 CA PHE 311 20.410 2.313 8.439 1.00 1.00 ATOM 227 CA PHE 312 21.645 2.918 4.882 1.00 1.00 ATOM 228 CA LYS 313 18.122 3.496 3.552 1.00 1.00 ATOM 229 CA GLN 314 17.335 5.935 6.362 1.00 1.00 ATOM 230 CA HIS 315 20.534 8.007 6.052 1.00 1.00 ATOM 231 CA LEU 316 21.991 7.592 2.541 1.00 1.00 ATOM 232 CA LYS 317 18.555 7.932 0.938 1.00 1.00 ATOM 233 CA GLY 318 16.894 9.972 3.720 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:27:08 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g7DER7EA026564 for ; Tue, 13 Aug 2002 07:27:08 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id HAA859143 for karplus@soe.ucsc.edu; Tue, 13 Aug 2002 07:27:02 -0700 (PDT) Date: Tue, 13 Aug 2002 07:27:02 -0700 (PDT) From: Automatic Reply Message-Id: <200208131427.HAA859143@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0165 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 06:59:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_728091_21414 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS007_1 Current information on models submitted in prediction T0165TS007 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 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 T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS007_1 PIN_728091_21414 6269-7633-6117 08/13/02 06:59:07 casp5@bialko.llnl.gov T0165SS007_1 PIN_420172_19562 6269-7633-6117 08/07/02 08:29:40 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 T0165 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1A88_B # Loading PARENT structure: 1a88 (chain: B) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue N 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue I 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue N 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue R 231 # IMPORTANT NOTE! Not complete main chain atoms for residue N 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue M 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 300 # IMPORTANT NOTE! Not complete main chain atoms for residue I 301 # IMPORTANT NOTE! Not complete main chain atoms for residue P 302 # IMPORTANT NOTE! Not complete main chain atoms for residue F 304 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue L 309 # IMPORTANT NOTE! Not complete main chain atoms for residue A 310 # IMPORTANT NOTE! Not complete main chain atoms for residue F 311 # IMPORTANT NOTE! Not complete main chain atoms for residue F 312 # IMPORTANT NOTE! Not complete main chain atoms for residue K 313 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue L 316 # IMPORTANT NOTE! Not complete main chain atoms for residue K 317 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 230 # Total number of atoms in model: 230 # Number of atoms with 1.0 occupancy: 230 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 230 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1A88_B ATOM 2 CA THR 60 20.777 40.244 -12.788 1.00 1.00 ATOM 3 CA TYR 61 20.667 36.760 -14.303 1.00 1.00 ATOM 4 CA LYS 62 23.792 35.171 -15.818 1.00 1.00 ATOM 5 CA SER 63 23.045 33.133 -18.975 1.00 1.00 ATOM 6 CA PHE 64 24.886 30.054 -20.242 1.00 1.00 ATOM 7 CA GLY 65 27.534 31.994 -22.205 1.00 1.00 ATOM 8 CA ASN 66 28.311 34.228 -19.196 1.00 1.00 ATOM 9 CA ALA 67 26.251 37.269 -20.220 1.00 1.00 ATOM 10 CA ARG 68 24.677 39.204 -17.347 1.00 1.00 ATOM 11 CA ILE 69 21.081 40.256 -18.094 1.00 1.00 ATOM 12 CA THR 70 19.585 43.148 -16.030 1.00 1.00 ATOM 13 CA GLY 71 15.958 42.949 -14.959 1.00 1.00 ATOM 14 CA TRP 72 13.421 44.760 -12.793 1.00 1.00 ATOM 15 CA TYR 73 10.933 42.770 -10.668 1.00 1.00 ATOM 16 CA ALA 74 8.346 44.877 -8.834 1.00 1.00 ATOM 17 CA VAL 75 5.057 44.134 -7.058 1.00 1.00 ATOM 18 CA PRO 76 3.713 41.335 -4.890 1.00 1.00 ATOM 19 CA ASP 77 5.963 38.274 -4.758 1.00 1.00 ATOM 20 CA LYS 78 2.733 36.236 -4.835 1.00 1.00 ATOM 21 CA GLU 79 1.227 38.360 -7.658 1.00 1.00 ATOM 22 CA GLY 80 0.446 36.945 -11.126 1.00 1.00 ATOM 23 CA PRO 81 3.596 37.642 -13.171 1.00 1.00 ATOM 24 CA ILE 85 3.328 39.977 -16.185 1.00 1.00 ATOM 25 CA VAL 86 6.603 39.903 -18.176 1.00 1.00 ATOM 26 CA LYS 87 7.420 42.737 -20.611 1.00 1.00 ATOM 27 CA TYR 88 9.715 42.464 -23.644 1.00 1.00 ATOM 28 CA HIS 89 10.941 45.806 -25.051 1.00 1.00 ATOM 29 CA GLY 90 11.442 46.587 -28.735 1.00 1.00 ATOM 30 CA TYR 91 14.592 47.667 -30.598 1.00 1.00 ATOM 31 CA ASN 92 16.747 49.452 -29.803 1.00 1.00 ATOM 32 CA ALA 93 15.378 50.223 -26.323 1.00 1.00 ATOM 33 CA SER 94 15.362 48.820 -22.773 1.00 1.00 ATOM 34 CA TYR 95 13.107 47.700 -19.919 1.00 1.00 ATOM 35 CA ASP 96 12.612 51.470 -19.103 1.00 1.00 ATOM 36 CA GLY 97 10.383 51.834 -22.182 1.00 1.00 ATOM 37 CA GLU 98 7.638 50.117 -20.121 1.00 1.00 ATOM 38 CA ILE 99 7.388 52.627 -17.223 1.00 1.00 ATOM 39 CA HIS 100 3.728 53.491 -17.955 1.00 1.00 ATOM 40 CA GLU 101 2.537 49.873 -18.266 1.00 1.00 ATOM 41 CA MET 102 4.538 48.672 -15.289 1.00 1.00 ATOM 42 CA VAL 103 3.000 51.305 -12.962 1.00 1.00 ATOM 43 CA ASN 104 -0.398 50.526 -14.475 1.00 1.00 ATOM 44 CA TRP 105 -0.211 46.759 -13.878 1.00 1.00 ATOM 45 CA ALA 106 1.403 47.303 -10.435 1.00 1.00 ATOM 46 CA LEU 107 -1.627 49.414 -9.482 1.00 1.00 ATOM 47 CA HIS 108 -3.903 46.489 -10.428 1.00 1.00 ATOM 48 CA GLY 109 -1.989 44.098 -8.145 1.00 1.00 ATOM 49 CA TYR 110 0.230 42.271 -10.617 1.00 1.00 ATOM 50 CA ALA 111 3.896 41.307 -10.259 1.00 1.00 ATOM 51 CA THR 112 5.736 43.152 -13.107 1.00 1.00 ATOM 52 CA PHE 113 9.003 41.931 -14.612 1.00 1.00 ATOM 53 CA GLY 114 11.027 43.482 -17.442 1.00 1.00 ATOM 54 CA MET 115 14.576 42.742 -18.583 1.00 1.00 ATOM 55 CA LEU 116 17.146 44.557 -20.797 1.00 1.00 ATOM 56 CA VAL 117 17.901 42.344 -23.872 1.00 1.00 ATOM 57 CA ARG 118 21.603 41.459 -24.206 1.00 1.00 ATOM 58 CA GLY 119 23.508 44.471 -25.579 1.00 1.00 ATOM 59 CA GLN 120 20.736 46.859 -24.487 1.00 1.00 ATOM 60 CA GLN 121 20.203 49.171 -21.488 1.00 1.00 ATOM 61 CA SER 122 22.053 47.937 -18.368 1.00 1.00 ATOM 62 CA SER 123 22.750 44.419 -19.648 1.00 1.00 ATOM 63 CA GLU 124 26.233 43.374 -20.693 1.00 1.00 ATOM 64 CA ASP 125 27.444 44.102 -24.263 1.00 1.00 ATOM 65 CA THR 126 28.736 40.734 -25.519 1.00 1.00 ATOM 66 CA SER 127 30.490 40.079 -28.812 1.00 1.00 ATOM 67 CA ASP 146 27.903 37.458 -29.851 1.00 1.00 ATOM 68 CA THR 147 24.400 36.069 -29.453 1.00 1.00 ATOM 69 CA TYR 148 22.543 38.845 -31.300 1.00 1.00 ATOM 70 CA TYR 149 19.810 36.628 -32.706 1.00 1.00 ATOM 71 CA TYR 150 16.315 35.393 -31.857 1.00 1.00 ATOM 72 CA ARG 151 17.315 31.939 -30.640 1.00 1.00 ATOM 73 CA GLY 152 19.784 33.453 -28.115 1.00 1.00 ATOM 74 CA VAL 153 17.195 36.072 -27.076 1.00 1.00 ATOM 75 CA TYR 154 14.630 33.363 -26.421 1.00 1.00 ATOM 76 CA LEU 155 17.239 31.348 -24.500 1.00 1.00 ATOM 77 CA ASP 156 18.016 34.415 -22.367 1.00 1.00 ATOM 78 CA ALA 157 14.298 34.716 -21.515 1.00 1.00 ATOM 79 CA VAL 158 14.260 31.032 -20.469 1.00 1.00 ATOM 80 CA ARG 159 17.282 31.640 -18.211 1.00 1.00 ATOM 81 CA ALA 160 15.346 34.486 -16.537 1.00 1.00 ATOM 82 CA LEU 161 12.013 32.673 -16.120 1.00 1.00 ATOM 83 CA GLU 162 13.848 29.608 -14.791 1.00 1.00 ATOM 84 CA VAL 163 15.951 31.696 -12.349 1.00 1.00 ATOM 85 CA ILE 164 12.772 33.326 -10.996 1.00 1.00 ATOM 86 CA SER 165 10.749 30.065 -11.278 1.00 1.00 ATOM 87 CA GLU 172 7.816 31.809 -12.940 1.00 1.00 ATOM 88 CA THR 173 4.532 29.959 -13.324 1.00 1.00 ATOM 89 CA ARG 174 1.531 30.938 -15.498 1.00 1.00 ATOM 90 CA ILE 175 3.137 34.209 -16.571 1.00 1.00 ATOM 91 CA GLY 176 1.642 36.561 -19.145 1.00 1.00 ATOM 92 CA VAL 177 4.346 37.708 -21.650 1.00 1.00 ATOM 93 CA THR 178 3.755 41.052 -23.413 1.00 1.00 ATOM 94 CA GLY 179 6.200 41.899 -26.232 1.00 1.00 ATOM 95 CA GLY 180 6.473 45.029 -28.359 1.00 1.00 ATOM 96 CA SER 181 7.908 45.176 -31.879 1.00 1.00 ATOM 97 CA GLN 182 11.137 43.097 -31.864 1.00 1.00 ATOM 98 CA GLY 183 10.199 41.975 -28.364 1.00 1.00 ATOM 99 CA GLY 184 7.052 40.379 -29.904 1.00 1.00 ATOM 100 CA GLY 185 9.325 38.062 -31.970 1.00 1.00 ATOM 101 CA LEU 186 11.311 37.197 -28.846 1.00 1.00 ATOM 102 CA THR 187 8.029 36.345 -27.111 1.00 1.00 ATOM 103 CA ILE 188 6.752 34.190 -30.003 1.00 1.00 ATOM 104 CA ALA 189 10.016 32.176 -30.038 1.00 1.00 ATOM 105 CA ALA 190 10.215 31.818 -26.250 1.00 1.00 ATOM 106 CA ALA 191 6.543 30.850 -25.802 1.00 1.00 ATOM 107 CA ALA 192 6.824 28.233 -28.582 1.00 1.00 ATOM 108 CA LEU 193 9.734 26.631 -26.721 1.00 1.00 ATOM 110 CA SER 194 8.418 24.495 -20.476 1.00 1.00 ATOM 111 CA ASP 195 4.821 23.571 -19.628 1.00 1.00 ATOM 113 CA ILE 196 5.621 28.612 -17.611 1.00 1.00 ATOM 114 CA PRO 197 3.215 30.622 -19.733 1.00 1.00 ATOM 115 CA LYS 198 -0.524 31.252 -19.504 1.00 1.00 ATOM 116 CA ALA 199 -0.988 33.936 -22.210 1.00 1.00 ATOM 117 CA ALA 200 1.016 36.106 -24.637 1.00 1.00 ATOM 118 CA VAL 201 0.411 39.555 -26.133 1.00 1.00 ATOM 119 CA ALA 202 2.076 40.667 -29.402 1.00 1.00 ATOM 120 CA ASP 203 1.927 44.468 -29.754 1.00 1.00 ATOM 121 CA TYR 204 3.056 46.090 -33.025 1.00 1.00 ATOM 122 CA PRO 205 5.089 42.902 -33.449 1.00 1.00 ATOM 123 CA TYR 206 7.359 41.640 -36.213 1.00 1.00 ATOM 124 CA LEU 207 5.917 38.129 -36.951 1.00 1.00 ATOM 125 CA SER 208 5.337 36.364 -39.150 1.00 1.00 ATOM 126 CA ASN 209 8.231 37.772 -41.192 1.00 1.00 ATOM 145 CA PHE 210 18.909 51.596 -41.248 1.00 1.00 ATOM 146 CA GLU 211 22.209 49.628 -40.904 1.00 1.00 ATOM 147 CA ARG 212 24.156 52.277 -42.816 1.00 1.00 ATOM 148 CA ALA 213 22.787 55.244 -40.865 1.00 1.00 ATOM 149 CA ILE 214 23.231 53.515 -37.490 1.00 1.00 ATOM 150 CA ASP 215 26.878 52.631 -38.286 1.00 1.00 ATOM 151 CA VAL 216 27.681 56.119 -39.584 1.00 1.00 ATOM 152 CA ALA 217 26.205 58.350 -36.807 1.00 1.00 ATOM 153 CA LEU 218 24.166 56.360 -34.294 1.00 1.00 ATOM 154 CA GLU 219 23.535 59.421 -32.088 1.00 1.00 ATOM 155 CA GLN 220 21.862 61.355 -34.914 1.00 1.00 ATOM 156 CA PRO 221 20.007 58.333 -36.318 1.00 1.00 ATOM 157 CA TYR 222 18.490 57.829 -32.823 1.00 1.00 ATOM 158 CA LEU 223 17.070 61.384 -32.878 1.00 1.00 ATOM 159 CA GLU 224 15.676 60.922 -36.437 1.00 1.00 ATOM 160 CA ILE 225 13.808 57.655 -35.762 1.00 1.00 ATOM 161 CA ASN 226 11.728 58.771 -32.737 1.00 1.00 ATOM 162 CA SER 227 11.315 62.242 -34.255 1.00 1.00 ATOM 163 CA PHE 228 9.795 60.805 -37.442 1.00 1.00 ATOM 164 CA PHE 229 8.270 57.407 -37.935 1.00 1.00 ATOM 165 CA ARG 230 8.364 55.720 -34.542 1.00 1.00 ATOM 166 CA ARG 231 5.665 57.643 -32.676 1.00 1.00 ATOM 167 CA ASN 232 3.985 59.196 -35.777 1.00 1.00 ATOM 168 CA GLY 233 5.142 62.674 -34.820 1.00 1.00 ATOM 169 CA SER 234 5.756 63.338 -38.531 1.00 1.00 ATOM 170 CA PRO 235 1.931 63.280 -39.056 1.00 1.00 ATOM 171 CA GLU 236 0.236 66.650 -39.397 1.00 1.00 ATOM 194 CA THR 237 23.941 44.527 -30.787 1.00 1.00 ATOM 195 CA GLU 238 21.695 47.238 -32.236 1.00 1.00 ATOM 196 CA VAL 239 23.288 46.885 -35.698 1.00 1.00 ATOM 197 CA GLN 240 23.025 43.053 -35.700 1.00 1.00 ATOM 198 CA ALA 241 19.504 42.981 -34.288 1.00 1.00 ATOM 199 CA MET 242 18.143 44.713 -37.434 1.00 1.00 ATOM 200 CA LYS 243 18.651 41.483 -39.443 1.00 1.00 ATOM 201 CA THR 244 17.410 39.394 -36.516 1.00 1.00 ATOM 202 CA LEU 245 14.058 41.186 -36.307 1.00 1.00 ATOM 203 CA SER 246 13.455 41.733 -40.035 1.00 1.00 ATOM 204 CA TYR 247 14.710 38.514 -41.591 1.00 1.00 ATOM 205 CA PHE 248 13.774 35.824 -39.039 1.00 1.00 ATOM 206 CA ASP 249 10.707 33.863 -40.074 1.00 1.00 ATOM 207 CA ILE 250 8.467 33.209 -37.047 1.00 1.00 ATOM 208 CA MET 251 5.814 31.203 -38.949 1.00 1.00 ATOM 209 CA ASN 252 6.792 27.911 -37.332 1.00 1.00 ATOM 210 CA LEU 253 6.898 29.499 -33.875 1.00 1.00 ATOM 211 CA ALA 254 3.363 30.867 -34.155 1.00 1.00 ATOM 212 CA ASP 255 2.125 27.483 -35.431 1.00 1.00 ATOM 213 CA ARG 256 3.228 25.875 -32.127 1.00 1.00 ATOM 214 CA VAL 257 1.689 28.397 -29.731 1.00 1.00 ATOM 215 CA LYS 258 -1.348 26.974 -27.963 1.00 1.00 ATOM 216 CA VAL 259 -2.072 29.566 -25.260 1.00 1.00 ATOM 217 CA PRO 260 -4.371 32.511 -25.967 1.00 1.00 ATOM 218 CA VAL 261 -2.618 35.380 -27.736 1.00 1.00 ATOM 219 CA LEU 262 -3.775 38.960 -28.062 1.00 1.00 ATOM 220 CA MET 263 -2.433 40.469 -31.304 1.00 1.00 ATOM 221 CA SER 264 -2.610 44.268 -31.167 1.00 1.00 ATOM 222 CA ILE 265 -1.366 46.665 -33.837 1.00 1.00 ATOM 223 CA GLY 266 -1.922 50.232 -34.996 1.00 1.00 ATOM 224 CA LEU 267 -2.936 50.742 -38.636 1.00 1.00 ATOM 225 CA ILE 268 -0.640 53.718 -39.283 1.00 1.00 ATOM 226 CA ASP 269 2.509 51.866 -38.083 1.00 1.00 ATOM 227 CA LYS 270 5.404 53.295 -40.069 1.00 1.00 ATOM 228 CA VAL 271 7.976 50.798 -38.721 1.00 1.00 ATOM 229 CA THR 272 6.276 47.397 -38.811 1.00 1.00 ATOM 230 CA PRO 273 3.636 47.626 -41.592 1.00 1.00 ATOM 231 CA PRO 274 0.288 46.501 -40.210 1.00 1.00 ATOM 232 CA SER 275 -0.983 44.446 -43.158 1.00 1.00 ATOM 233 CA THR 276 2.135 42.224 -43.382 1.00 1.00 ATOM 234 CA VAL 277 2.098 41.539 -39.640 1.00 1.00 ATOM 235 CA PHE 278 -0.990 41.576 -37.378 1.00 1.00 ATOM 236 CA ALA 279 -3.632 39.869 -39.583 1.00 1.00 ATOM 237 CA ALA 280 -1.132 37.267 -40.756 1.00 1.00 ATOM 238 CA TYR 281 0.021 36.386 -37.245 1.00 1.00 ATOM 239 CA ASN 282 -3.586 36.121 -36.055 1.00 1.00 ATOM 240 CA HIS 283 -4.360 33.697 -38.908 1.00 1.00 ATOM 241 CA LEU 284 -1.441 31.466 -37.924 1.00 1.00 ATOM 242 CA GLU 285 -2.232 31.312 -34.221 1.00 1.00 ATOM 243 CA THR 286 -4.692 28.749 -32.898 1.00 1.00 ATOM 244 CA LYS 287 -6.244 30.936 -30.184 1.00 1.00 ATOM 245 CA LYS 288 -5.777 34.553 -31.219 1.00 1.00 ATOM 246 CA GLU 289 -7.724 37.744 -30.607 1.00 1.00 ATOM 247 CA LEU 290 -6.883 40.490 -33.111 1.00 1.00 ATOM 248 CA LYS 291 -7.325 44.148 -32.132 1.00 1.00 ATOM 249 CA VAL 292 -6.684 46.893 -34.718 1.00 1.00 ATOM 250 CA TYR 293 -6.214 50.512 -33.653 1.00 1.00 ATOM 251 CA ARG 294 -7.037 52.927 -36.403 1.00 1.00 ATOM 252 CA TYR 295 -4.453 55.625 -37.000 1.00 1.00 ATOM 253 CA PHE 296 -2.036 54.668 -34.211 1.00 1.00 ATOM 254 CA GLY 297 1.712 54.470 -34.566 1.00 1.00 ATOM 255 CA HIS 298 4.408 51.978 -33.906 1.00 1.00 ATOM 256 CA GLU 299 5.010 53.336 -30.362 1.00 1.00 ATOM 257 CA TYR 300 1.357 53.565 -29.443 1.00 1.00 ATOM 258 CA ILE 301 1.954 52.060 -25.963 1.00 1.00 ATOM 259 CA PRO 302 3.601 55.416 -25.085 1.00 1.00 ATOM 260 CA PHE 304 1.532 57.867 -27.206 1.00 1.00 ATOM 261 CA GLN 305 -1.871 56.319 -26.471 1.00 1.00 ATOM 262 CA THR 306 -1.664 54.309 -23.232 1.00 1.00 ATOM 263 CA GLU 307 -5.201 55.330 -22.225 1.00 1.00 ATOM 264 CA LYS 308 -6.489 53.453 -25.308 1.00 1.00 ATOM 265 CA LEU 309 -4.288 50.371 -24.993 1.00 1.00 ATOM 266 CA ALA 310 -3.914 49.767 -21.248 1.00 1.00 ATOM 267 CA PHE 311 -7.587 48.906 -20.557 1.00 1.00 ATOM 268 CA PHE 312 -7.549 46.400 -23.482 1.00 1.00 ATOM 269 CA LYS 313 -4.415 44.784 -22.161 1.00 1.00 ATOM 270 CA GLN 314 -5.862 44.464 -18.610 1.00 1.00 ATOM 271 CA HIS 315 -9.132 43.006 -19.949 1.00 1.00 ATOM 272 CA LEU 316 -7.216 40.357 -21.864 1.00 1.00 ATOM 273 CA LYS 317 -4.940 39.484 -18.900 1.00 1.00 TER END ################################ # # # END # # # ################################