From mailer@bialko.llnl.gov Thu Aug 15 07:25:29 2002 Date: Thu, 15 Aug 2002 07:25:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 06:57:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_705930_24618 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186SS007_1 Current information on models submitted in prediction T0186SS007 MODEL_INDEX PIN CODE DATE E-mail T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 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: 364 # Number of residues with nonzero confidence: 364 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0186 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-29828.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-32726//target-align-32726.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 127.761 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-29828.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.7460/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Aug 14 20:18:02 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-32726//target-align-32726.a2m METHOD METHOD guide seq name: seed-seqs-29828.a2m(1), 364 bases, F93BD832 checksum. METHOD ###end 0 MODEL 1 M C 0.421 I E 0.458 V E 0.438 E C 0.448 K C 0.46 V E 0.424 L E 0.572 I E 0.66 V E 0.632 D E 0.491 P C 0.584 I C 0.654 D C 0.618 G C 0.496 E E 0.434 F E 0.459 T E 0.44 G E 0.443 D E 0.529 V E 0.643 E E 0.646 I E 0.594 E E 0.42 E C 0.631 G C 0.654 K E 0.513 I E 0.634 V E 0.608 K E 0.569 V E 0.531 E E 0.443 K E 0.492 R E 0.556 E E 0.54 C E 0.443 I C 0.536 P C 0.638 R C 0.599 G C 0.452 V E 0.598 L E 0.631 M E 0.497 P C 0.521 G C 0.507 F E 0.462 V E 0.488 D C 0.455 P C 0.468 H C 0.462 I C 0.435 H C 0.45 G C 0.438 V C 0.473 V C 0.492 G C 0.496 A C 0.48 D C 0.484 T C 0.509 M C 0.537 N C 0.552 C C 0.472 D H 0.469 F H 0.585 S H 0.62 E H 0.652 M H 0.672 E H 0.699 E H 0.717 F H 0.708 L H 0.694 Y H 0.668 S H 0.624 Q C 0.454 G C 0.707 V C 0.619 T E 0.434 T E 0.567 F E 0.588 L E 0.536 A E 0.421 T C 0.451 T C 0.481 V C 0.549 S C 0.614 T C 0.693 S C 0.636 L H 0.549 E H 0.623 K H 0.645 M H 0.689 K H 0.729 E H 0.739 I H 0.74 L H 0.745 R H 0.756 K H 0.751 A H 0.743 R H 0.74 D H 0.737 Y H 0.714 I H 0.675 L H 0.654 E H 0.56 N C 0.525 P C 0.518 S C 0.485 T C 0.395 S C 0.352 L E 0.368 L E 0.41 G E 0.443 V E 0.479 H E 0.49 L E 0.465 E C 0.404 G C 0.539 P C 0.563 Y C 0.533 I C 0.537 S C 0.568 K H 0.446 E H 0.481 K H 0.501 K C 0.422 G C 0.579 A C 0.584 H C 0.597 S C 0.633 E C 0.493 K C 0.446 H H 0.408 I C 0.436 R C 0.471 P C 0.555 P C 0.552 S C 0.568 E H 0.683 R H 0.705 E H 0.706 L H 0.716 S H 0.72 E H 0.714 I H 0.694 D H 0.662 S H 0.564 P H 0.464 A H 0.38 K H 0.362 M E 0.369 L E 0.379 T C 0.375 F C 0.407 A C 0.509 P C 0.533 E C 0.539 I C 0.554 E C 0.575 S C 0.568 S H 0.69 E H 0.732 L H 0.756 L H 0.758 L H 0.761 R H 0.755 L H 0.738 V H 0.724 K H 0.717 R H 0.593 D C 0.625 I C 0.538 V E 0.478 L E 0.562 S E 0.522 A E 0.428 G C 0.495 H C 0.568 S C 0.53 I C 0.472 A H 0.54 T H 0.603 F H 0.744 E H 0.762 E H 0.77 F H 0.773 M H 0.771 K H 0.774 F H 0.765 Y H 0.753 K H 0.731 E H 0.609 G C 0.63 V C 0.617 K C 0.458 R E 0.547 I E 0.559 T E 0.532 H E 0.469 F E 0.361 P C 0.44 N C 0.502 G C 0.48 L C 0.438 K C 0.443 P C 0.45 L C 0.43 H C 0.455 H C 0.446 R C 0.466 E C 0.543 I C 0.536 G C 0.541 I C 0.44 T H 0.338 G E 0.386 A E 0.396 G H 0.364 L C 0.346 L C 0.468 L C 0.571 D C 0.593 D C 0.513 V C 0.42 K E 0.366 L E 0.411 E E 0.449 L E 0.491 I E 0.481 C C 0.385 D C 0.588 G C 0.591 V C 0.568 H C 0.558 L C 0.601 S C 0.65 R H 0.645 E H 0.681 M H 0.686 V H 0.732 K H 0.744 L H 0.744 V H 0.734 Y H 0.727 K H 0.71 V H 0.643 K C 0.506 K C 0.597 A C 0.584 N C 0.493 G E 0.468 I E 0.555 V E 0.555 L E 0.545 V E 0.48 T C 0.437 D C 0.545 S C 0.552 I C 0.524 S C 0.535 A C 0.543 A C 0.537 G C 0.568 L C 0.541 K C 0.526 D C 0.466 G H 0.48 T H 0.561 T H 0.571 T H 0.573 L H 0.575 G H 0.546 D H 0.505 L C 0.438 V C 0.583 V C 0.408 K E 0.548 V E 0.573 K E 0.489 D C 0.417 G C 0.538 V C 0.53 P C 0.519 R C 0.504 L C 0.535 E C 0.587 D C 0.626 G C 0.638 T C 0.602 L C 0.566 A C 0.584 G C 0.565 S C 0.5 T C 0.435 L H 0.424 F H 0.452 F H 0.644 S H 0.684 Q H 0.706 A H 0.708 V H 0.716 K H 0.713 N H 0.702 F H 0.691 R H 0.681 K H 0.666 F H 0.624 T H 0.537 G C 0.625 C C 0.63 S C 0.645 I H 0.648 T H 0.685 E H 0.702 L H 0.704 A H 0.698 K H 0.687 V H 0.669 S H 0.635 S H 0.551 Y H 0.517 N C 0.475 S H 0.647 C H 0.676 V H 0.668 E H 0.651 L H 0.585 G C 0.6 L C 0.582 D C 0.602 D C 0.605 R C 0.574 G C 0.566 R C 0.416 I E 0.441 A C 0.449 E C 0.504 G C 0.584 T C 0.596 R C 0.488 A C 0.467 D E 0.411 L E 0.627 V E 0.677 L E 0.671 L E 0.604 D C 0.484 E C 0.629 D C 0.658 L C 0.555 N C 0.456 V E 0.513 V E 0.579 M E 0.638 T E 0.672 I E 0.66 K E 0.536 E C 0.529 G C 0.624 E E 0.496 V E 0.632 V E 0.657 F E 0.55 R C 0.473 S C 0.785 R C 0.869 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:08:08 2002 Date: Wed, 21 Aug 2002 12:08:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 11:39:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_548303_29983 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS007_1 Current information on models submitted in prediction T0186TS007 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_1 PIN_548303_29983 6269-7633-6117 08/21/02 11:39:47 casp5@bialko.llnl.gov T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_1 PIN_548303_29983 6269-7633-6117 08/21/02 11:39:47 casp5@bialko.llnl.gov T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1GKP_B # Loading PARENT structure: 1gkp (chain: B) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 344 # Total number of atoms in model: 344 # Number of atoms with 1.0 occupancy: 344 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 344 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1GKP_B ATOM 3 CA MET 1 49.549 118.474 38.536 1.00 1.00 ATOM 4 CA ILE 2 49.920 118.627 42.242 1.00 1.00 ATOM 5 CA VAL 3 47.124 119.905 44.477 1.00 1.00 ATOM 6 CA GLU 4 48.635 120.173 47.956 1.00 1.00 ATOM 7 CA LYS 5 47.440 120.972 51.455 1.00 1.00 ATOM 8 CA VAL 6 43.702 120.936 50.682 1.00 1.00 ATOM 9 CA LEU 7 40.883 119.366 52.602 1.00 1.00 ATOM 10 CA ILE 8 39.639 116.701 50.232 1.00 1.00 ATOM 11 CA VAL 9 35.915 116.120 50.419 1.00 1.00 ATOM 12 CA ASP 10 34.025 113.451 48.528 1.00 1.00 ATOM 13 CA PRO 11 30.661 111.863 49.127 1.00 1.00 ATOM 14 CA ILE 12 32.363 109.386 51.404 1.00 1.00 ATOM 15 CA ASP 13 35.639 110.848 52.569 1.00 1.00 ATOM 16 CA GLY 14 37.053 113.966 54.221 1.00 1.00 ATOM 17 CA PHE 16 40.770 114.257 54.807 1.00 1.00 ATOM 18 CA THR 17 43.848 116.454 54.448 1.00 1.00 ATOM 19 CA GLY 18 46.293 115.075 51.833 1.00 1.00 ATOM 20 CA ASP 19 47.862 115.938 48.485 1.00 1.00 ATOM 21 CA VAL 20 46.773 114.756 45.028 1.00 1.00 ATOM 22 CA GLU 21 49.199 114.151 42.170 1.00 1.00 ATOM 23 CA ILE 22 48.277 113.507 38.579 1.00 1.00 ATOM 24 CA GLU 23 51.118 112.687 36.188 1.00 1.00 ATOM 25 CA GLU 24 48.776 113.397 33.238 1.00 1.00 ATOM 26 CA GLY 25 45.043 113.128 32.806 1.00 1.00 ATOM 27 CA LYS 26 44.258 110.852 35.749 1.00 1.00 ATOM 28 CA ILE 27 44.987 110.813 39.521 1.00 1.00 ATOM 29 CA VAL 28 48.234 108.960 40.041 1.00 1.00 ATOM 30 CA LYS 29 48.770 109.103 43.776 1.00 1.00 ATOM 31 CA VAL 30 47.220 110.500 46.979 1.00 1.00 ATOM 32 CA GLU 31 49.260 110.978 50.150 1.00 1.00 ATOM 42 CA LYS 32 51.665 122.968 38.170 1.00 1.00 ATOM 43 CA ARG 33 51.550 123.082 41.923 1.00 1.00 ATOM 44 CA GLU 34 48.310 124.335 43.379 1.00 1.00 ATOM 45 CA CYS 35 48.357 125.331 47.096 1.00 1.00 ATOM 46 CA ILE 36 44.910 124.502 48.429 1.00 1.00 ATOM 47 CA PRO 37 45.578 125.470 52.047 1.00 1.00 ATOM 48 CA ARG 38 42.376 126.584 53.699 1.00 1.00 ATOM 49 CA GLY 39 40.192 125.359 50.829 1.00 1.00 ATOM 50 CA VAL 40 38.195 122.300 49.934 1.00 1.00 ATOM 51 CA LEU 41 39.042 119.949 47.111 1.00 1.00 ATOM 52 CA MET 42 35.975 118.380 45.490 1.00 1.00 ATOM 53 CA PRO 43 35.404 116.166 42.535 1.00 1.00 ATOM 54 CA GLY 44 34.440 118.210 39.521 1.00 1.00 ATOM 55 CA PHE 45 30.711 118.780 39.611 1.00 1.00 ATOM 56 CA VAL 46 28.409 117.310 37.007 1.00 1.00 ATOM 57 CA ASP 47 25.235 118.865 35.591 1.00 1.00 ATOM 58 CA PRO 48 23.060 116.027 34.120 1.00 1.00 ATOM 59 CA HIS 49 20.612 118.432 32.475 1.00 1.00 ATOM 60 CA ILE 50 21.529 121.360 30.189 1.00 1.00 ATOM 61 CA HIS 51 20.467 122.832 26.866 1.00 1.00 ATOM 62 CA GLY 52 23.284 124.364 24.748 1.00 1.00 ATOM 63 CA VAL 53 22.104 124.099 21.129 1.00 1.00 ATOM 64 CA VAL 54 18.310 124.472 21.065 1.00 1.00 ATOM 65 CA GLY 55 16.204 125.969 18.286 1.00 1.00 ATOM 66 CA ALA 56 13.254 128.100 19.204 1.00 1.00 ATOM 67 CA ASP 57 11.107 129.360 16.331 1.00 1.00 ATOM 68 CA THR 58 13.627 131.231 14.058 1.00 1.00 ATOM 69 CA MET 59 16.174 131.715 16.824 1.00 1.00 ATOM 70 CA ASN 60 18.235 129.713 19.256 1.00 1.00 ATOM 73 CA CYS 61 25.002 129.610 24.777 1.00 1.00 ATOM 74 CA ASP 62 27.298 127.830 22.410 1.00 1.00 ATOM 75 CA PHE 63 29.375 124.890 23.532 1.00 1.00 ATOM 76 CA SER 64 32.236 127.333 23.944 1.00 1.00 ATOM 77 CA GLU 65 30.304 129.891 26.111 1.00 1.00 ATOM 78 CA MET 66 28.345 127.305 27.996 1.00 1.00 ATOM 79 CA GLU 67 31.292 125.104 28.852 1.00 1.00 ATOM 80 CA GLU 68 33.310 128.151 29.999 1.00 1.00 ATOM 81 CA PHE 69 30.388 129.189 32.212 1.00 1.00 ATOM 82 CA LEU 70 30.084 125.705 33.584 1.00 1.00 ATOM 83 CA TYR 71 33.734 125.594 34.535 1.00 1.00 ATOM 84 CA SER 72 33.737 128.963 36.179 1.00 1.00 ATOM 85 CA GLN 73 31.018 127.581 38.426 1.00 1.00 ATOM 86 CA GLY 74 32.846 124.352 39.245 1.00 1.00 ATOM 87 CA VAL 75 31.068 122.086 36.774 1.00 1.00 ATOM 88 CA THR 76 33.481 119.955 34.784 1.00 1.00 ATOM 89 CA THR 77 31.057 117.648 32.928 1.00 1.00 ATOM 90 CA PHE 78 27.639 118.505 31.549 1.00 1.00 ATOM 91 CA LEU 79 25.039 116.238 29.917 1.00 1.00 ATOM 92 CA ALA 80 23.115 118.031 27.168 1.00 1.00 ATOM 93 CA THR 81 19.634 117.145 26.019 1.00 1.00 ATOM 94 CA THR 82 19.830 116.368 22.294 1.00 1.00 ATOM 95 CA VAL 83 16.338 117.464 21.188 1.00 1.00 ATOM 96 CA SER 84 15.217 116.850 17.602 1.00 1.00 ATOM 97 CA THR 85 11.435 117.271 17.337 1.00 1.00 ATOM 98 CA SER 86 8.875 114.921 15.841 1.00 1.00 ATOM 99 CA LEU 87 9.316 116.828 12.530 1.00 1.00 ATOM 100 CA GLU 88 13.094 116.293 12.518 1.00 1.00 ATOM 101 CA LYS 89 15.092 113.228 11.657 1.00 1.00 ATOM 102 CA MET 90 16.521 111.807 14.922 1.00 1.00 ATOM 103 CA LYS 91 19.957 110.852 13.465 1.00 1.00 ATOM 104 CA GLU 92 20.359 114.115 11.672 1.00 1.00 ATOM 105 CA ILE 93 19.528 115.764 15.055 1.00 1.00 ATOM 106 CA LEU 94 22.119 113.838 16.935 1.00 1.00 ATOM 107 CA ARG 95 24.732 114.458 14.264 1.00 1.00 ATOM 108 CA LYS 96 23.868 118.191 14.368 1.00 1.00 ATOM 109 CA ALA 97 24.206 118.312 18.161 1.00 1.00 ATOM 110 CA ARG 98 27.472 116.347 18.022 1.00 1.00 ATOM 111 CA ASP 99 28.767 118.648 15.293 1.00 1.00 ATOM 112 CA TYR 100 28.024 121.789 17.361 1.00 1.00 ATOM 113 CA ILE 101 30.049 120.488 20.328 1.00 1.00 ATOM 114 CA GLU 103 32.929 118.822 18.447 1.00 1.00 ATOM 115 CA ASN 104 36.126 120.665 19.238 1.00 1.00 ATOM 116 CA PRO 105 34.213 123.511 20.900 1.00 1.00 ATOM 117 CA SER 106 33.932 122.453 24.582 1.00 1.00 ATOM 118 CA THR 107 36.393 123.443 27.237 1.00 1.00 ATOM 119 CA SER 108 35.290 120.497 29.365 1.00 1.00 ATOM 120 CA LEU 109 33.950 117.009 28.852 1.00 1.00 ATOM 121 CA LEU 110 30.347 116.377 27.961 1.00 1.00 ATOM 122 CA GLY 111 27.816 113.831 26.730 1.00 1.00 ATOM 123 CA VAL 112 24.212 113.696 25.601 1.00 1.00 ATOM 124 CA HIS 113 20.826 112.286 26.462 1.00 1.00 ATOM 125 CA LEU 114 19.035 111.442 23.165 1.00 1.00 ATOM 126 CA GLU 115 15.469 112.697 22.816 1.00 1.00 ATOM 127 CA GLY 116 12.949 110.279 21.400 1.00 1.00 ATOM 128 CA PRO 117 10.188 112.598 20.053 1.00 1.00 ATOM 129 CA TYR 118 8.467 109.842 18.016 1.00 1.00 ATOM 130 CA ILE 119 8.756 106.104 17.721 1.00 1.00 ATOM 131 CA SER 120 8.591 104.496 14.266 1.00 1.00 ATOM 132 CA LYS 121 10.666 102.140 12.236 1.00 1.00 ATOM 142 CA GLU 122 23.326 104.066 21.426 1.00 1.00 ATOM 143 CA LYS 123 26.157 102.226 19.792 1.00 1.00 ATOM 144 CA LYS 124 27.999 105.533 19.524 1.00 1.00 ATOM 145 CA GLY 125 28.115 105.688 23.351 1.00 1.00 ATOM 146 CA ALA 126 24.864 107.511 24.206 1.00 1.00 ATOM 147 CA HIS 127 23.385 105.370 26.962 1.00 1.00 ATOM 148 CA SER 128 20.394 107.455 27.948 1.00 1.00 ATOM 149 CA GLU 129 17.199 108.581 26.219 1.00 1.00 ATOM 151 CA HIS 131 11.190 111.362 26.559 1.00 1.00 ATOM 152 CA ILE 132 8.552 114.030 27.032 1.00 1.00 ATOM 153 CA ARG 133 5.047 113.537 28.521 1.00 1.00 ATOM 154 CA PRO 134 4.166 117.032 27.279 1.00 1.00 ATOM 155 CA PRO 135 4.442 119.148 24.067 1.00 1.00 ATOM 162 CA SER 136 1.825 108.803 23.269 1.00 1.00 ATOM 163 CA GLU 137 1.410 105.710 25.401 1.00 1.00 ATOM 164 CA ARG 138 2.274 103.229 22.664 1.00 1.00 ATOM 165 CA GLU 139 5.381 105.276 21.735 1.00 1.00 ATOM 166 CA LEU 140 6.354 105.450 25.360 1.00 1.00 ATOM 167 CA SER 141 5.987 101.734 25.868 1.00 1.00 ATOM 168 CA GLU 142 8.018 101.027 22.667 1.00 1.00 ATOM 169 CA ILE 143 10.700 103.513 23.756 1.00 1.00 ATOM 170 CA ASP 144 10.985 101.942 27.194 1.00 1.00 ATOM 171 CA SER 145 11.129 98.484 25.854 1.00 1.00 ATOM 172 CA PRO 146 13.860 99.457 23.454 1.00 1.00 ATOM 173 CA ALA 147 15.749 101.114 26.311 1.00 1.00 ATOM 174 CA LYS 148 15.603 98.052 28.396 1.00 1.00 ATOM 175 CA MET 149 16.771 95.900 25.348 1.00 1.00 ATOM 176 CA LEU 150 19.683 98.226 24.889 1.00 1.00 ATOM 177 CA THR 151 20.531 98.716 28.591 1.00 1.00 ATOM 180 CA PHE 152 15.215 106.774 30.175 1.00 1.00 ATOM 181 CA ALA 153 15.087 110.272 31.453 1.00 1.00 ATOM 182 CA PRO 154 11.654 111.841 31.303 1.00 1.00 ATOM 183 CA GLU 155 9.967 115.179 31.457 1.00 1.00 ATOM 184 CA ILE 156 6.705 114.353 33.191 1.00 1.00 ATOM 185 CA GLU 157 3.617 116.484 32.604 1.00 1.00 ATOM 186 CA SER 158 0.505 115.479 30.476 1.00 1.00 ATOM 187 CA SER 159 0.555 116.610 26.812 1.00 1.00 ATOM 188 CA GLU 160 -3.252 116.680 26.518 1.00 1.00 ATOM 189 CA LEU 161 -4.025 118.580 29.691 1.00 1.00 ATOM 190 CA LEU 162 -1.321 121.169 29.143 1.00 1.00 ATOM 191 CA LEU 163 -2.468 121.882 25.594 1.00 1.00 ATOM 192 CA ARG 164 -6.133 122.117 26.601 1.00 1.00 ATOM 193 CA LEU 165 -5.520 124.401 29.494 1.00 1.00 ATOM 194 CA VAL 166 -3.219 126.574 27.383 1.00 1.00 ATOM 195 CA LYS 167 -5.906 126.926 24.747 1.00 1.00 ATOM 196 CA ARG 168 -8.667 127.541 27.322 1.00 1.00 ATOM 232 CA ASP 169 11.234 96.680 33.214 1.00 1.00 ATOM 233 CA ILE 170 13.124 99.774 32.073 1.00 1.00 ATOM 234 CA VAL 171 15.219 101.962 34.421 1.00 1.00 ATOM 235 CA LEU 172 14.276 105.618 34.511 1.00 1.00 ATOM 236 CA SER 173 15.021 109.046 35.831 1.00 1.00 ATOM 237 CA ALA 174 12.526 111.826 36.441 1.00 1.00 ATOM 238 CA GLY 175 14.001 115.113 35.255 1.00 1.00 ATOM 239 CA HIS 176 13.286 118.437 37.000 1.00 1.00 ATOM 240 CA SER 177 10.846 117.156 39.612 1.00 1.00 ATOM 241 CA ILE 178 9.366 120.392 41.011 1.00 1.00 ATOM 242 CA ALA 179 6.621 119.738 43.584 1.00 1.00 ATOM 245 CA THR 180 5.146 114.659 41.904 1.00 1.00 ATOM 246 CA PHE 181 7.625 113.736 44.665 1.00 1.00 ATOM 247 CA GLU 182 4.962 111.612 46.335 1.00 1.00 ATOM 248 CA GLU 183 4.308 109.731 43.041 1.00 1.00 ATOM 249 CA PHE 184 8.018 109.109 42.407 1.00 1.00 ATOM 250 CA MET 185 8.629 108.126 46.027 1.00 1.00 ATOM 251 CA LYS 186 5.791 105.629 46.051 1.00 1.00 ATOM 252 CA PHE 187 7.340 104.037 42.950 1.00 1.00 ATOM 253 CA TYR 188 10.798 103.930 44.566 1.00 1.00 ATOM 254 CA LYS 189 9.293 102.407 47.711 1.00 1.00 ATOM 255 CA GLU 190 7.597 99.538 45.767 1.00 1.00 ATOM 256 CA GLY 191 10.820 98.696 43.902 1.00 1.00 ATOM 257 CA VAL 192 10.658 100.447 40.584 1.00 1.00 ATOM 258 CA LYS 193 14.149 101.329 39.297 1.00 1.00 ATOM 259 CA ARG 194 13.395 105.054 39.199 1.00 1.00 ATOM 260 CA ILE 195 15.593 107.983 40.202 1.00 1.00 ATOM 261 CA THR 196 14.791 111.641 40.812 1.00 1.00 ATOM 262 CA HIS 197 16.429 114.825 39.626 1.00 1.00 ATOM 263 CA PHE 198 15.535 118.287 40.776 1.00 1.00 ATOM 264 CA PRO 199 16.919 121.476 39.250 1.00 1.00 ATOM 265 CA ASN 200 18.207 124.532 41.058 1.00 1.00 ATOM 266 CA GLY 201 15.527 127.100 40.135 1.00 1.00 ATOM 267 CA LEU 202 12.856 124.902 41.869 1.00 1.00 ATOM 268 CA LYS 203 14.794 125.060 45.088 1.00 1.00 ATOM 269 CA PRO 204 15.199 128.836 45.176 1.00 1.00 ATOM 270 CA LEU 205 12.585 130.555 42.963 1.00 1.00 ATOM 271 CA HIS 206 8.801 130.374 43.158 1.00 1.00 ATOM 272 CA HIS 207 5.770 131.087 41.081 1.00 1.00 ATOM 273 CA ARG 208 5.440 134.703 42.214 1.00 1.00 ATOM 274 CA ALA 215 8.514 135.563 40.135 1.00 1.00 ATOM 275 CA GLY 216 6.500 134.721 37.015 1.00 1.00 ATOM 276 CA LEU 217 3.656 136.922 38.296 1.00 1.00 ATOM 277 CA LEU 218 5.824 140.132 38.139 1.00 1.00 ATOM 278 CA LEU 219 4.358 141.131 34.759 1.00 1.00 ATOM 279 CA ASP 220 6.023 141.689 31.396 1.00 1.00 ATOM 280 CA ASP 221 9.494 140.739 30.414 1.00 1.00 ATOM 281 CA VAL 222 10.489 140.637 34.078 1.00 1.00 ATOM 282 CA LYS 223 8.116 137.685 34.613 1.00 1.00 ATOM 283 CA LEU 224 9.053 136.106 31.308 1.00 1.00 ATOM 284 CA GLU 225 12.607 135.727 32.623 1.00 1.00 ATOM 285 CA LEU 226 11.168 133.129 35.090 1.00 1.00 ATOM 286 CA ILE 227 9.057 131.125 32.684 1.00 1.00 ATOM 287 CA CYS 228 10.187 127.473 32.429 1.00 1.00 ATOM 288 CA ASP 229 8.576 124.095 32.348 1.00 1.00 ATOM 289 CA GLY 230 7.695 122.642 34.731 1.00 1.00 ATOM 290 CA VAL 231 6.821 126.056 36.047 1.00 1.00 ATOM 291 CA HIS 232 8.159 127.659 39.142 1.00 1.00 ATOM 292 CA LEU 233 5.811 126.556 41.899 1.00 1.00 ATOM 293 CA SER 234 4.265 127.721 45.132 1.00 1.00 ATOM 294 CA ARG 235 7.063 128.401 47.561 1.00 1.00 ATOM 295 CA GLU 236 5.849 125.665 49.895 1.00 1.00 ATOM 296 CA MET 237 7.557 123.215 47.532 1.00 1.00 ATOM 297 CA VAL 238 10.994 124.539 48.264 1.00 1.00 ATOM 298 CA LYS 239 11.097 123.083 51.768 1.00 1.00 ATOM 299 CA LEU 240 9.755 119.826 50.338 1.00 1.00 ATOM 300 CA VAL 241 12.623 119.630 47.891 1.00 1.00 ATOM 301 CA TYR 242 15.333 120.632 50.331 1.00 1.00 ATOM 302 CA LYS 243 14.116 118.142 52.900 1.00 1.00 ATOM 303 CA VAL 244 13.985 115.374 50.286 1.00 1.00 ATOM 304 CA LYS 245 17.443 116.282 49.046 1.00 1.00 ATOM 305 CA LYS 246 18.917 116.137 52.539 1.00 1.00 ATOM 306 CA ALA 247 17.617 112.560 52.915 1.00 1.00 ATOM 307 CA ASN 248 18.778 111.447 49.492 1.00 1.00 ATOM 308 CA GLY 249 15.234 111.058 48.198 1.00 1.00 ATOM 309 CA ILE 250 16.215 113.359 45.376 1.00 1.00 ATOM 310 CA VAL 251 19.246 111.775 43.731 1.00 1.00 ATOM 311 CA LEU 252 20.724 114.569 41.624 1.00 1.00 ATOM 312 CA VAL 253 20.629 118.279 41.244 1.00 1.00 ATOM 313 CA THR 254 20.894 119.681 37.746 1.00 1.00 ATOM 314 CA ASP 255 19.955 123.009 36.111 1.00 1.00 ATOM 315 CA SER 256 17.778 122.615 33.036 1.00 1.00 ATOM 316 CA ILE 257 20.043 125.442 31.885 1.00 1.00 ATOM 317 CA SER 258 18.241 127.115 28.974 1.00 1.00 ATOM 318 CA ALA 259 19.292 130.708 28.338 1.00 1.00 ATOM 319 CA ALA 260 17.440 133.342 26.329 1.00 1.00 ATOM 320 CA GLY 261 17.873 137.111 26.050 1.00 1.00 ATOM 321 CA LEU 262 15.072 139.350 27.240 1.00 1.00 ATOM 322 CA LYS 263 14.428 140.318 23.603 1.00 1.00 ATOM 323 CA ASP 264 13.846 136.645 22.762 1.00 1.00 ATOM 324 CA GLY 265 11.605 136.178 25.817 1.00 1.00 ATOM 325 CA THR 266 9.482 139.013 24.313 1.00 1.00 ATOM 326 CA THR 267 8.544 136.812 21.421 1.00 1.00 ATOM 327 CA THR 268 5.852 135.837 23.949 1.00 1.00 ATOM 328 CA LEU 269 4.488 139.382 24.495 1.00 1.00 ATOM 329 CA GLY 270 1.111 138.530 23.048 1.00 1.00 ATOM 330 CA ASP 271 0.644 134.966 24.385 1.00 1.00 ATOM 331 CA LEU 272 2.371 133.120 27.230 1.00 1.00 ATOM 332 CA ARG 282 2.525 130.023 25.025 1.00 1.00 ATOM 333 CA LEU 283 4.989 131.885 22.733 1.00 1.00 ATOM 334 CA GLU 284 7.479 132.772 25.467 1.00 1.00 ATOM 335 CA ASP 285 10.668 130.740 25.064 1.00 1.00 ATOM 336 CA GLY 286 10.822 128.634 28.208 1.00 1.00 ATOM 337 CA THR 287 13.943 128.412 30.326 1.00 1.00 ATOM 338 CA LEU 288 16.124 129.977 32.951 1.00 1.00 ATOM 339 CA ALA 289 19.906 130.076 32.847 1.00 1.00 ATOM 340 CA GLY 290 21.815 128.379 35.681 1.00 1.00 ATOM 341 CA SER 291 24.791 126.319 34.543 1.00 1.00 ATOM 342 CA THR 292 27.367 128.636 36.122 1.00 1.00 ATOM 343 CA LEU 293 25.543 129.172 39.400 1.00 1.00 ATOM 344 CA PHE 294 24.310 125.713 40.381 1.00 1.00 ATOM 345 CA PHE 295 27.154 124.621 42.586 1.00 1.00 ATOM 346 CA SER 296 27.586 127.956 44.389 1.00 1.00 ATOM 347 CA GLN 297 23.858 128.103 44.978 1.00 1.00 ATOM 348 CA ALA 298 23.533 124.591 46.292 1.00 1.00 ATOM 349 CA VAL 299 26.607 124.995 48.452 1.00 1.00 ATOM 350 CA LYS 300 25.372 128.303 49.880 1.00 1.00 ATOM 351 CA ASN 301 21.729 127.604 50.519 1.00 1.00 ATOM 352 CA PHE 302 22.207 123.939 51.368 1.00 1.00 ATOM 353 CA ARG 303 25.560 123.551 53.107 1.00 1.00 ATOM 354 CA LYS 304 26.575 126.995 54.359 1.00 1.00 ATOM 355 CA PHE 305 23.075 128.112 55.400 1.00 1.00 ATOM 356 CA THR 306 20.853 125.175 55.304 1.00 1.00 ATOM 357 CA GLY 307 20.691 121.659 56.501 1.00 1.00 ATOM 358 CA CYS 308 22.325 119.889 53.549 1.00 1.00 ATOM 359 CA SER 309 25.394 117.921 54.624 1.00 1.00 ATOM 360 CA ILE 310 28.557 118.536 52.611 1.00 1.00 ATOM 361 CA THR 311 28.742 114.804 51.680 1.00 1.00 ATOM 362 CA GLU 312 25.154 114.784 50.386 1.00 1.00 ATOM 363 CA LEU 313 26.033 117.958 48.495 1.00 1.00 ATOM 364 CA ALA 314 28.915 116.219 46.727 1.00 1.00 ATOM 365 CA LYS 315 26.781 113.151 45.929 1.00 1.00 ATOM 366 CA VAL 316 23.868 115.198 44.649 1.00 1.00 ATOM 367 CA SER 317 25.953 117.624 42.590 1.00 1.00 ATOM 368 CA SER 318 28.599 115.232 41.177 1.00 1.00 ATOM 369 CA TYR 319 28.779 111.575 42.102 1.00 1.00 ATOM 370 CA ASN 320 25.305 110.186 41.757 1.00 1.00 ATOM 371 CA SER 321 24.854 111.691 38.244 1.00 1.00 ATOM 372 CA CYS 322 28.133 110.098 37.213 1.00 1.00 ATOM 373 CA VAL 323 26.970 106.762 38.492 1.00 1.00 ATOM 374 CA GLU 324 23.555 106.846 36.935 1.00 1.00 ATOM 375 CA LEU 325 24.803 107.918 33.463 1.00 1.00 ATOM 376 CA GLY 326 27.805 105.660 33.137 1.00 1.00 ATOM 377 CA LEU 327 30.462 108.268 33.758 1.00 1.00 ATOM 379 CA ASP 328 34.407 106.151 38.104 1.00 1.00 ATOM 380 CA ASP 329 36.097 108.204 35.358 1.00 1.00 ATOM 381 CA ARG 330 34.045 111.163 36.684 1.00 1.00 ATOM 382 CA GLY 331 32.339 111.959 39.952 1.00 1.00 ATOM 383 CA ARG 332 34.906 111.188 42.525 1.00 1.00 ATOM 384 CA ILE 333 38.453 111.590 43.821 1.00 1.00 ATOM 385 CA ALA 334 40.409 108.366 43.736 1.00 1.00 ATOM 386 CA GLU 335 43.501 107.063 42.059 1.00 1.00 ATOM 387 CA GLY 336 42.699 106.263 38.428 1.00 1.00 ATOM 388 CA THR 337 39.939 108.806 38.108 1.00 1.00 ATOM 389 CA ARG 338 40.088 111.691 35.674 1.00 1.00 ATOM 390 CA ALA 339 41.797 114.574 37.357 1.00 1.00 ATOM 391 CA ASP 340 38.748 116.758 37.224 1.00 1.00 ATOM 392 CA LEU 341 39.053 118.714 40.459 1.00 1.00 ATOM 393 CA VAL 342 37.683 121.845 42.107 1.00 1.00 ATOM 394 CA LEU 343 39.638 123.790 44.736 1.00 1.00 ATOM 395 CA LEU 344 36.748 125.550 46.347 1.00 1.00 ATOM 396 CA ASP 345 37.029 128.608 48.550 1.00 1.00 ATOM 397 CA GLU 346 34.529 128.483 51.437 1.00 1.00 ATOM 398 CA ASP 347 35.665 131.913 52.589 1.00 1.00 ATOM 399 CA LEU 348 34.475 133.745 49.501 1.00 1.00 ATOM 400 CA ASN 349 31.473 136.047 49.931 1.00 1.00 ATOM 426 CA VAL 350 35.797 127.821 42.814 1.00 1.00 ATOM 427 CA VAL 351 39.367 129.066 42.910 1.00 1.00 ATOM 428 CA MET 352 40.875 126.364 40.747 1.00 1.00 ATOM 429 CA THR 353 39.156 123.963 38.337 1.00 1.00 ATOM 430 CA ILE 354 40.893 121.281 36.320 1.00 1.00 ATOM 431 CA LYS 355 39.782 119.014 33.456 1.00 1.00 ATOM 432 CA GLU 356 41.800 115.808 33.022 1.00 1.00 ATOM 433 CA GLY 357 44.810 117.336 34.775 1.00 1.00 ATOM 434 CA GLU 358 44.832 120.653 32.956 1.00 1.00 ATOM 435 CA VAL 359 43.926 123.798 34.824 1.00 1.00 ATOM 436 CA VAL 360 40.936 125.601 33.337 1.00 1.00 ATOM 437 CA PHE 361 40.274 128.143 36.123 1.00 1.00 ATOM 438 CA ARG 362 43.171 129.582 38.126 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:05:19 2002 Date: Wed, 21 Aug 2002 12:05:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 11:37:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_524695_29975 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS007_2 Current information on models submitted in prediction T0186TS007 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1GKP_C # Loading PARENT structure: 1gkp (chain: C) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 344 # Total number of atoms in model: 344 # Number of atoms with 1.0 occupancy: 344 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 344 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1GKP_C ATOM 3 CA MET 1 16.520 5.472 116.085 1.00 1.00 ATOM 4 CA ILE 2 16.596 5.658 119.863 1.00 1.00 ATOM 5 CA VAL 3 19.286 7.678 121.646 1.00 1.00 ATOM 6 CA GLU 4 18.970 6.652 125.273 1.00 1.00 ATOM 7 CA LYS 5 20.491 7.670 128.604 1.00 1.00 ATOM 8 CA VAL 6 22.196 10.876 127.425 1.00 1.00 ATOM 9 CA LEU 7 22.214 14.401 128.771 1.00 1.00 ATOM 10 CA ILE 8 20.368 16.435 126.171 1.00 1.00 ATOM 11 CA VAL 9 21.797 19.979 125.884 1.00 1.00 ATOM 12 CA ASP 10 20.313 22.608 123.601 1.00 1.00 ATOM 13 CA PRO 11 20.556 26.381 123.719 1.00 1.00 ATOM 14 CA ILE 12 17.636 26.466 126.144 1.00 1.00 ATOM 15 CA ASP 13 17.399 23.016 127.771 1.00 1.00 ATOM 16 CA GLY 14 19.568 20.563 129.701 1.00 1.00 ATOM 17 CA PHE 16 18.084 17.296 130.895 1.00 1.00 ATOM 18 CA THR 17 18.429 13.552 130.958 1.00 1.00 ATOM 19 CA GLY 18 15.856 11.801 128.711 1.00 1.00 ATOM 20 CA ASP 19 15.721 9.556 125.692 1.00 1.00 ATOM 21 CA VAL 20 15.034 10.552 122.061 1.00 1.00 ATOM 22 CA GLU 21 13.093 8.387 119.634 1.00 1.00 ATOM 23 CA ILE 22 12.828 8.990 115.883 1.00 1.00 ATOM 24 CA GLU 23 10.577 6.655 113.905 1.00 1.00 ATOM 25 CA GLU 24 12.240 7.891 110.766 1.00 1.00 ATOM 26 CA GLY 25 13.826 11.185 109.794 1.00 1.00 ATOM 27 CA LYS 26 12.401 13.351 112.538 1.00 1.00 ATOM 28 CA ILE 27 12.175 13.215 116.295 1.00 1.00 ATOM 29 CA VAL 28 8.946 11.462 117.307 1.00 1.00 ATOM 30 CA LYS 29 8.969 11.499 121.081 1.00 1.00 ATOM 31 CA VAL 30 11.139 12.518 123.994 1.00 1.00 ATOM 32 CA GLU 31 10.791 11.037 127.459 1.00 1.00 ATOM 42 CA LYS 32 18.897 1.210 116.133 1.00 1.00 ATOM 43 CA ARG 33 19.802 1.951 119.714 1.00 1.00 ATOM 44 CA GLU 34 22.579 4.325 120.768 1.00 1.00 ATOM 45 CA CYS 35 23.580 4.314 124.393 1.00 1.00 ATOM 46 CA ILE 36 24.566 7.862 125.286 1.00 1.00 ATOM 47 CA PRO 37 25.257 7.165 128.953 1.00 1.00 ATOM 48 CA ARG 38 27.803 9.693 130.327 1.00 1.00 ATOM 49 CA GLY 39 27.671 11.794 127.110 1.00 1.00 ATOM 50 CA VAL 40 25.965 14.905 125.863 1.00 1.00 ATOM 51 CA LEU 41 23.338 14.891 123.145 1.00 1.00 ATOM 52 CA MET 42 23.538 18.141 121.091 1.00 1.00 ATOM 53 CA PRO 43 21.678 19.275 118.000 1.00 1.00 ATOM 54 CA GLY 44 23.820 18.666 114.934 1.00 1.00 ATOM 55 CA PHE 45 26.155 21.591 114.433 1.00 1.00 ATOM 56 CA VAL 46 25.796 24.001 111.489 1.00 1.00 ATOM 57 CA ASP 47 28.588 25.777 109.598 1.00 1.00 ATOM 58 CA PRO 48 27.139 28.778 107.832 1.00 1.00 ATOM 59 CA HIS 49 30.292 29.569 105.874 1.00 1.00 ATOM 60 CA ILE 50 32.252 27.045 103.806 1.00 1.00 ATOM 61 CA HIS 51 33.868 26.750 100.376 1.00 1.00 ATOM 62 CA GLY 52 33.773 23.345 98.627 1.00 1.00 ATOM 63 CA VAL 53 33.834 24.123 94.946 1.00 1.00 ATOM 64 CA VAL 54 35.969 27.205 94.496 1.00 1.00 ATOM 65 CA GLY 55 38.131 28.238 91.548 1.00 1.00 ATOM 66 CA ALA 56 41.336 30.111 92.389 1.00 1.00 ATOM 67 CA ASP 57 43.226 31.824 89.538 1.00 1.00 ATOM 68 CA THR 58 44.279 28.766 87.573 1.00 1.00 ATOM 69 CA MET 59 43.566 26.144 90.243 1.00 1.00 ATOM 70 CA ASN 60 40.741 24.950 92.661 1.00 1.00 ATOM 73 CA CYS 61 37.500 19.414 99.043 1.00 1.00 ATOM 74 CA ASP 62 34.747 17.905 97.007 1.00 1.00 ATOM 75 CA PHE 63 31.211 17.707 98.374 1.00 1.00 ATOM 76 CA SER 64 32.047 14.092 99.251 1.00 1.00 ATOM 77 CA GLU 65 35.276 14.846 101.098 1.00 1.00 ATOM 78 CA MET 66 34.064 18.047 102.680 1.00 1.00 ATOM 79 CA GLU 67 30.797 16.644 103.949 1.00 1.00 ATOM 80 CA GLU 68 32.509 13.608 105.430 1.00 1.00 ATOM 81 CA PHE 69 34.972 15.920 107.200 1.00 1.00 ATOM 82 CA LEU 70 32.157 18.097 108.484 1.00 1.00 ATOM 83 CA TYR 71 30.358 15.049 109.906 1.00 1.00 ATOM 84 CA SER 72 33.477 13.618 111.592 1.00 1.00 ATOM 85 CA GLN 73 33.621 16.981 113.424 1.00 1.00 ATOM 86 CA GLY 74 29.993 17.013 114.436 1.00 1.00 ATOM 87 CA VAL 75 28.681 19.338 111.726 1.00 1.00 ATOM 88 CA THR 76 25.568 18.015 110.085 1.00 1.00 ATOM 89 CA THR 77 24.538 20.990 107.848 1.00 1.00 ATOM 90 CA PHE 78 26.866 23.337 105.968 1.00 1.00 ATOM 91 CA LEU 79 26.088 26.483 103.964 1.00 1.00 ATOM 92 CA ALA 80 28.440 26.826 100.977 1.00 1.00 ATOM 93 CA THR 81 29.175 30.142 99.376 1.00 1.00 ATOM 94 CA THR 82 28.112 29.840 95.695 1.00 1.00 ATOM 95 CA VAL 83 30.634 32.136 94.057 1.00 1.00 ATOM 96 CA SER 84 30.318 32.870 90.358 1.00 1.00 ATOM 97 CA THR 85 32.402 35.911 89.487 1.00 1.00 ATOM 98 CA SER 86 31.459 39.040 87.626 1.00 1.00 ATOM 99 CA LEU 87 32.398 37.361 84.346 1.00 1.00 ATOM 100 CA GLU 88 30.207 34.335 84.956 1.00 1.00 ATOM 101 CA LYS 89 26.512 33.999 84.435 1.00 1.00 ATOM 102 CA MET 90 24.964 33.995 87.928 1.00 1.00 ATOM 103 CA LYS 91 22.343 31.365 87.176 1.00 1.00 ATOM 104 CA GLU 92 24.767 29.060 85.444 1.00 1.00 ATOM 105 CA ILE 93 26.997 29.401 88.516 1.00 1.00 ATOM 106 CA LEU 94 24.211 28.460 90.868 1.00 1.00 ATOM 107 CA ARG 95 23.340 25.467 88.661 1.00 1.00 ATOM 108 CA LYS 96 27.016 24.436 88.573 1.00 1.00 ATOM 109 CA ALA 97 27.422 24.489 92.362 1.00 1.00 ATOM 110 CA ARG 98 24.027 22.802 92.817 1.00 1.00 ATOM 111 CA ASP 99 24.973 20.073 90.306 1.00 1.00 ATOM 112 CA TYR 100 28.290 19.347 92.089 1.00 1.00 ATOM 113 CA ILE 101 26.614 18.845 95.430 1.00 1.00 ATOM 114 CA GLU 103 23.610 16.885 94.243 1.00 1.00 ATOM 115 CA ASN 104 23.964 13.214 95.148 1.00 1.00 ATOM 116 CA PRO 105 27.479 13.826 96.466 1.00 1.00 ATOM 117 CA SER 106 26.937 15.050 100.042 1.00 1.00 ATOM 118 CA THR 107 26.815 12.826 103.107 1.00 1.00 ATOM 119 CA SER 108 24.914 15.476 105.055 1.00 1.00 ATOM 120 CA LEU 109 22.416 18.233 104.351 1.00 1.00 ATOM 121 CA LEU 110 23.437 21.542 102.903 1.00 1.00 ATOM 122 CA GLY 111 22.416 24.759 101.256 1.00 1.00 ATOM 123 CA VAL 112 23.967 27.838 99.617 1.00 1.00 ATOM 124 CA HIS 113 24.384 31.543 99.942 1.00 1.00 ATOM 125 CA LEU 114 24.180 33.066 96.458 1.00 1.00 ATOM 126 CA GLU 115 26.929 35.464 95.475 1.00 1.00 ATOM 127 CA GLY 116 25.897 38.621 93.711 1.00 1.00 ATOM 128 CA PRO 117 29.029 39.757 91.969 1.00 1.00 ATOM 129 CA TYR 118 27.270 42.141 89.594 1.00 1.00 ATOM 130 CA ILE 119 23.776 43.644 89.161 1.00 1.00 ATOM 131 CA SER 120 21.621 44.056 85.959 1.00 1.00 ATOM 132 CA LYS 121 18.203 43.184 84.601 1.00 1.00 ATOM 142 CA GLU 122 15.480 32.479 95.507 1.00 1.00 ATOM 143 CA LYS 123 12.398 30.652 94.179 1.00 1.00 ATOM 144 CA LYS 124 14.507 27.472 94.209 1.00 1.00 ATOM 145 CA GLY 125 14.925 27.867 97.982 1.00 1.00 ATOM 146 CA ALA 126 18.035 30.060 98.414 1.00 1.00 ATOM 147 CA HIS 127 17.052 32.732 100.915 1.00 1.00 ATOM 148 CA SER 128 20.442 34.408 101.349 1.00 1.00 ATOM 149 CA GLU 129 22.779 36.394 99.175 1.00 1.00 ATOM 151 CA HIS 131 28.194 40.319 98.493 1.00 1.00 ATOM 152 CA ILE 132 31.835 41.269 98.576 1.00 1.00 ATOM 153 CA ARG 133 33.180 44.716 99.465 1.00 1.00 ATOM 154 CA PRO 134 36.552 43.538 98.188 1.00 1.00 ATOM 155 CA PRO 135 38.129 41.920 95.077 1.00 1.00 ATOM 162 CA SER 136 30.039 49.145 93.783 1.00 1.00 ATOM 163 CA GLU 137 27.642 51.255 95.851 1.00 1.00 ATOM 164 CA ARG 138 24.980 51.243 93.200 1.00 1.00 ATOM 165 CA GLU 139 25.126 47.491 92.809 1.00 1.00 ATOM 166 CA LEU 140 25.068 47.027 96.582 1.00 1.00 ATOM 167 CA SER 141 22.030 49.261 96.875 1.00 1.00 ATOM 168 CA GLU 142 20.176 47.367 94.170 1.00 1.00 ATOM 169 CA ILE 143 21.065 44.027 95.636 1.00 1.00 ATOM 170 CA ASP 144 19.922 45.012 99.127 1.00 1.00 ATOM 171 CA SER 145 16.680 46.425 97.782 1.00 1.00 ATOM 172 CA PRO 146 15.982 43.228 95.854 1.00 1.00 ATOM 173 CA ALA 147 16.827 41.284 98.977 1.00 1.00 ATOM 174 CA LYS 148 14.382 43.216 101.090 1.00 1.00 ATOM 175 CA MET 149 11.617 42.801 98.486 1.00 1.00 ATOM 176 CA LEU 150 12.236 39.039 98.564 1.00 1.00 ATOM 177 CA THR 151 12.751 38.605 102.304 1.00 1.00 ATOM 180 CA PHE 152 22.414 39.533 102.709 1.00 1.00 ATOM 181 CA ALA 153 25.694 38.098 103.892 1.00 1.00 ATOM 182 CA PRO 154 28.740 40.303 103.282 1.00 1.00 ATOM 183 CA GLU 155 32.518 40.145 103.164 1.00 1.00 ATOM 184 CA ILE 156 33.425 43.611 104.389 1.00 1.00 ATOM 185 CA GLU 157 36.692 45.152 103.357 1.00 1.00 ATOM 186 CA SER 158 37.221 47.894 100.694 1.00 1.00 ATOM 187 CA SER 159 38.052 46.789 97.164 1.00 1.00 ATOM 188 CA GLU 160 39.826 49.999 96.200 1.00 1.00 ATOM 189 CA LEU 161 42.036 50.246 99.256 1.00 1.00 ATOM 190 CA LEU 162 43.039 46.594 99.235 1.00 1.00 ATOM 191 CA LEU 163 43.988 46.662 95.595 1.00 1.00 ATOM 192 CA ARG 164 45.895 49.914 95.928 1.00 1.00 ATOM 193 CA LEU 165 47.860 48.766 98.975 1.00 1.00 ATOM 194 CA VAL 166 48.570 45.385 97.327 1.00 1.00 ATOM 195 CA LYS 167 50.043 47.183 94.355 1.00 1.00 ATOM 196 CA ARG 168 52.013 49.705 96.474 1.00 1.00 ATOM 232 CA ASP 169 15.686 48.360 104.985 1.00 1.00 ATOM 233 CA ILE 170 17.421 45.064 104.232 1.00 1.00 ATOM 234 CA VAL 171 18.594 42.489 106.814 1.00 1.00 ATOM 235 CA LEU 172 22.254 41.554 106.765 1.00 1.00 ATOM 236 CA SER 173 24.938 39.358 108.171 1.00 1.00 ATOM 237 CA ALA 174 28.645 40.220 108.400 1.00 1.00 ATOM 238 CA GLY 175 30.768 37.220 107.561 1.00 1.00 ATOM 239 CA HIS 176 34.121 36.468 109.205 1.00 1.00 ATOM 240 CA SER 177 34.333 39.530 111.415 1.00 1.00 ATOM 241 CA ILE 178 37.927 39.490 112.665 1.00 1.00 ATOM 242 CA ALA 179 38.790 42.480 114.770 1.00 1.00 ATOM 245 CA THR 180 34.941 45.975 112.749 1.00 1.00 ATOM 246 CA PHE 181 33.105 44.684 115.856 1.00 1.00 ATOM 247 CA GLU 182 32.617 48.237 117.046 1.00 1.00 ATOM 248 CA GLU 183 31.110 49.214 113.667 1.00 1.00 ATOM 249 CA PHE 184 28.736 46.290 113.595 1.00 1.00 ATOM 250 CA MET 185 27.746 46.725 117.259 1.00 1.00 ATOM 251 CA LYS 186 27.011 50.434 116.756 1.00 1.00 ATOM 252 CA PHE 187 24.716 49.420 113.964 1.00 1.00 ATOM 253 CA TYR 188 23.019 46.762 116.080 1.00 1.00 ATOM 254 CA LYS 189 22.580 49.276 118.902 1.00 1.00 ATOM 255 CA GLU 190 20.815 51.841 116.648 1.00 1.00 ATOM 256 CA GLY 191 18.430 49.248 115.375 1.00 1.00 ATOM 257 CA VAL 192 19.940 48.084 112.094 1.00 1.00 ATOM 258 CA LYS 193 18.901 44.419 111.457 1.00 1.00 ATOM 259 CA ARG 194 22.444 43.202 111.188 1.00 1.00 ATOM 260 CA ILE 195 24.053 40.018 112.539 1.00 1.00 ATOM 261 CA THR 196 27.656 38.978 113.081 1.00 1.00 ATOM 262 CA HIS 197 29.598 35.864 112.239 1.00 1.00 ATOM 263 CA PHE 198 33.132 35.170 113.286 1.00 1.00 ATOM 264 CA PRO 199 35.115 32.185 112.074 1.00 1.00 ATOM 265 CA ASN 200 37.265 29.841 114.106 1.00 1.00 ATOM 266 CA GLY 201 40.789 30.837 112.860 1.00 1.00 ATOM 267 CA LEU 202 40.249 34.369 114.105 1.00 1.00 ATOM 268 CA LYS 203 39.600 33.099 117.617 1.00 1.00 ATOM 269 CA PRO 204 42.704 30.960 117.875 1.00 1.00 ATOM 270 CA LEU 205 45.357 32.065 115.384 1.00 1.00 ATOM 271 CA HIS 206 47.051 35.461 114.946 1.00 1.00 ATOM 272 CA HIS 207 49.048 37.459 112.424 1.00 1.00 ATOM 273 CA ARG 208 52.434 36.138 113.606 1.00 1.00 ATOM 274 CA ALA 215 51.597 32.834 111.990 1.00 1.00 ATOM 275 CA GLY 216 51.671 34.549 108.603 1.00 1.00 ATOM 276 CA LEU 217 55.003 36.204 109.485 1.00 1.00 ATOM 277 CA LEU 218 56.820 32.854 109.728 1.00 1.00 ATOM 278 CA LEU 219 58.170 33.024 106.169 1.00 1.00 ATOM 279 CA ASP 220 57.700 30.746 103.214 1.00 1.00 ATOM 280 CA ASP 221 55.155 28.049 102.757 1.00 1.00 ATOM 281 CA VAL 222 54.695 27.794 106.528 1.00 1.00 ATOM 282 CA LYS 223 53.315 31.394 106.573 1.00 1.00 ATOM 283 CA LEU 224 51.367 30.846 103.384 1.00 1.00 ATOM 284 CA GLU 225 49.335 28.163 105.173 1.00 1.00 ATOM 285 CA LEU 226 47.929 30.953 107.327 1.00 1.00 ATOM 286 CA ILE 227 47.052 33.482 104.641 1.00 1.00 ATOM 287 CA CYS 228 43.308 34.128 104.447 1.00 1.00 ATOM 288 CA ASP 229 41.051 37.206 104.033 1.00 1.00 ATOM 289 CA GLY 230 40.323 38.945 106.278 1.00 1.00 ATOM 290 CA VAL 231 43.841 38.240 107.495 1.00 1.00 ATOM 291 CA HIS 232 44.781 36.750 110.763 1.00 1.00 ATOM 292 CA LEU 233 45.043 39.696 113.143 1.00 1.00 ATOM 293 CA SER 234 46.974 40.948 116.138 1.00 1.00 ATOM 294 CA ARG 235 46.374 38.528 118.987 1.00 1.00 ATOM 295 CA GLU 236 44.708 41.272 121.068 1.00 1.00 ATOM 296 CA MET 237 41.631 40.632 118.945 1.00 1.00 ATOM 297 CA VAL 238 41.140 37.090 120.272 1.00 1.00 ATOM 298 CA LYS 239 39.950 38.170 123.718 1.00 1.00 ATOM 299 CA LEU 240 37.681 40.708 122.035 1.00 1.00 ATOM 300 CA VAL 241 36.032 38.058 119.944 1.00 1.00 ATOM 301 CA TYR 242 35.726 35.456 122.779 1.00 1.00 ATOM 302 CA LYS 243 34.246 38.043 125.159 1.00 1.00 ATOM 303 CA VAL 244 31.780 39.176 122.481 1.00 1.00 ATOM 304 CA LYS 245 30.865 35.564 121.682 1.00 1.00 ATOM 305 CA LYS 246 30.159 34.805 125.364 1.00 1.00 ATOM 306 CA ALA 247 27.665 37.728 125.564 1.00 1.00 ATOM 307 CA ASN 248 25.968 36.848 122.270 1.00 1.00 ATOM 308 CA GLY 249 27.297 39.909 120.496 1.00 1.00 ATOM 309 CA ILE 250 28.760 37.574 117.900 1.00 1.00 ATOM 310 CA VAL 251 25.810 35.513 116.719 1.00 1.00 ATOM 311 CA LEU 252 27.426 32.599 114.890 1.00 1.00 ATOM 312 CA VAL 253 30.662 30.769 114.509 1.00 1.00 ATOM 313 CA THR 254 31.615 29.377 111.102 1.00 1.00 ATOM 314 CA ASP 255 34.839 28.384 109.430 1.00 1.00 ATOM 315 CA SER 256 35.327 30.033 106.062 1.00 1.00 ATOM 316 CA ILE 257 36.673 26.583 105.303 1.00 1.00 ATOM 317 CA SER 258 38.833 26.941 102.253 1.00 1.00 ATOM 318 CA ALA 259 41.461 24.228 101.810 1.00 1.00 ATOM 319 CA ALA 260 44.501 24.322 99.559 1.00 1.00 ATOM 320 CA GLY 261 47.552 22.097 99.421 1.00 1.00 ATOM 321 CA LEU 262 50.941 23.516 100.237 1.00 1.00 ATOM 322 CA LYS 263 51.878 23.152 96.552 1.00 1.00 ATOM 323 CA ASP 264 48.988 25.420 95.682 1.00 1.00 ATOM 324 CA GLY 265 49.914 27.871 98.389 1.00 1.00 ATOM 325 CA THR 266 53.344 28.091 96.777 1.00 1.00 ATOM 326 CA THR 267 51.786 29.567 93.715 1.00 1.00 ATOM 327 CA THR 268 52.265 32.789 95.709 1.00 1.00 ATOM 328 CA LEU 269 55.971 32.397 96.161 1.00 1.00 ATOM 329 CA GLY 270 56.844 35.495 94.031 1.00 1.00 ATOM 330 CA ASP 271 53.970 37.690 95.184 1.00 1.00 ATOM 331 CA LEU 272 51.655 37.456 98.186 1.00 1.00 ATOM 332 CA ARG 282 48.695 38.422 96.054 1.00 1.00 ATOM 333 CA LEU 283 49.070 35.122 94.224 1.00 1.00 ATOM 334 CA GLU 284 48.814 32.950 97.359 1.00 1.00 ATOM 335 CA ASP 285 45.425 31.170 97.321 1.00 1.00 ATOM 336 CA GLY 286 43.661 32.485 100.421 1.00 1.00 ATOM 337 CA THR 287 42.124 30.207 102.984 1.00 1.00 ATOM 338 CA LEU 288 42.586 27.963 105.973 1.00 1.00 ATOM 339 CA ALA 289 40.921 24.536 106.367 1.00 1.00 ATOM 340 CA GLY 290 38.624 24.190 109.391 1.00 1.00 ATOM 341 CA SER 291 35.311 22.423 108.675 1.00 1.00 ATOM 342 CA THR 292 36.188 19.305 110.666 1.00 1.00 ATOM 343 CA LEU 293 37.695 21.070 113.681 1.00 1.00 ATOM 344 CA PHE 294 35.341 23.964 114.385 1.00 1.00 ATOM 345 CA PHE 295 33.098 22.215 116.959 1.00 1.00 ATOM 346 CA SER 296 35.873 20.558 118.888 1.00 1.00 ATOM 347 CA GLN 297 37.874 23.809 118.983 1.00 1.00 ATOM 348 CA ALA 298 34.963 25.849 120.178 1.00 1.00 ATOM 349 CA VAL 299 34.023 23.250 122.815 1.00 1.00 ATOM 350 CA LYS 300 37.636 22.916 124.010 1.00 1.00 ATOM 351 CA ASN 301 38.782 26.515 124.102 1.00 1.00 ATOM 352 CA PHE 302 35.415 28.036 124.923 1.00 1.00 ATOM 353 CA ARG 303 33.507 25.573 127.135 1.00 1.00 ATOM 354 CA LYS 304 36.100 23.236 128.635 1.00 1.00 ATOM 355 CA PHE 305 38.873 25.696 129.148 1.00 1.00 ATOM 356 CA THR 306 37.220 29.037 128.842 1.00 1.00 ATOM 357 CA GLY 307 34.247 30.975 129.894 1.00 1.00 ATOM 358 CA CYS 308 31.870 30.170 127.066 1.00 1.00 ATOM 359 CA SER 309 28.652 28.761 128.488 1.00 1.00 ATOM 360 CA ILE 310 27.605 25.408 126.982 1.00 1.00 ATOM 361 CA THR 311 24.218 26.947 125.965 1.00 1.00 ATOM 362 CA GLU 312 25.927 29.823 124.118 1.00 1.00 ATOM 363 CA LEU 313 28.152 27.243 122.544 1.00 1.00 ATOM 364 CA ALA 314 25.189 25.352 121.150 1.00 1.00 ATOM 365 CA LYS 315 23.576 28.606 120.057 1.00 1.00 ATOM 366 CA VAL 316 26.653 29.960 118.320 1.00 1.00 ATOM 367 CA SER 317 27.595 26.707 116.656 1.00 1.00 ATOM 368 CA SER 318 24.145 25.410 115.606 1.00 1.00 ATOM 369 CA TYR 319 20.940 27.183 116.507 1.00 1.00 ATOM 370 CA ASN 320 21.445 30.813 115.655 1.00 1.00 ATOM 371 CA SER 321 22.675 29.988 112.162 1.00 1.00 ATOM 372 CA CYS 322 19.685 27.754 111.674 1.00 1.00 ATOM 373 CA VAL 323 17.338 30.580 112.693 1.00 1.00 ATOM 374 CA GLU 324 19.024 33.268 110.643 1.00 1.00 ATOM 375 CA LEU 325 19.101 31.194 107.438 1.00 1.00 ATOM 376 CA GLY 326 15.649 29.590 107.640 1.00 1.00 ATOM 377 CA LEU 327 16.895 26.102 108.521 1.00 1.00 ATOM 379 CA ASP 328 13.169 24.457 113.255 1.00 1.00 ATOM 380 CA ASP 329 14.061 21.560 110.954 1.00 1.00 ATOM 381 CA ARG 330 17.680 22.043 112.008 1.00 1.00 ATOM 382 CA GLY 331 19.381 23.635 114.934 1.00 1.00 ATOM 383 CA ARG 332 17.655 22.209 117.921 1.00 1.00 ATOM 384 CA ILE 333 16.334 19.043 119.702 1.00 1.00 ATOM 385 CA ALA 334 12.514 18.983 119.773 1.00 1.00 ATOM 386 CA GLU 335 9.774 16.769 118.579 1.00 1.00 ATOM 387 CA GLY 336 9.358 17.242 114.848 1.00 1.00 ATOM 388 CA THR 337 12.930 18.408 114.186 1.00 1.00 ATOM 389 CA ARG 338 15.174 16.487 111.836 1.00 1.00 ATOM 390 CA ALA 339 17.008 13.790 113.782 1.00 1.00 ATOM 391 CA ASP 340 20.368 15.401 113.258 1.00 1.00 ATOM 392 CA LEU 341 22.136 14.647 116.560 1.00 1.00 ATOM 393 CA VAL 342 25.596 14.543 118.007 1.00 1.00 ATOM 394 CA LEU 343 26.436 12.267 120.938 1.00 1.00 ATOM 395 CA LEU 344 29.485 14.089 122.244 1.00 1.00 ATOM 396 CA ASP 345 32.113 12.575 124.502 1.00 1.00 ATOM 397 CA GLU 346 33.299 14.988 127.182 1.00 1.00 ATOM 398 CA ASP 347 35.906 12.474 128.477 1.00 1.00 ATOM 399 CA LEU 348 37.704 12.248 125.137 1.00 1.00 ATOM 400 CA ASN 349 41.167 13.838 125.052 1.00 1.00 ATOM 426 CA VAL 350 31.689 13.472 118.448 1.00 1.00 ATOM 427 CA VAL 351 31.125 9.789 119.204 1.00 1.00 ATOM 428 CA MET 352 27.931 9.400 117.225 1.00 1.00 ATOM 429 CA THR 353 26.565 11.711 114.535 1.00 1.00 ATOM 430 CA ILE 354 23.209 11.259 112.760 1.00 1.00 ATOM 431 CA LYS 355 21.620 12.876 109.708 1.00 1.00 ATOM 432 CA GLU 356 17.838 12.611 109.562 1.00 1.00 ATOM 433 CA GLY 357 17.836 9.507 111.701 1.00 1.00 ATOM 434 CA GLU 358 20.654 7.725 109.965 1.00 1.00 ATOM 435 CA VAL 359 23.963 7.188 111.725 1.00 1.00 ATOM 436 CA VAL 360 26.887 8.704 109.856 1.00 1.00 ATOM 437 CA PHE 361 29.533 8.477 112.560 1.00 1.00 ATOM 438 CA ARG 362 29.656 5.536 114.963 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:02:18 2002 Date: Wed, 21 Aug 2002 12:02:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 11:34:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_494786_29966 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS007_3 Current information on models submitted in prediction T0186TS007 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 casp5@bialko.llnl.gov T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1GKP_D # Loading PARENT structure: 1gkp (chain: D) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 344 # Total number of atoms in model: 344 # Number of atoms with 1.0 occupancy: 344 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 344 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1GKP_D ATOM 3 CA MET 1 -2.125 17.130 132.700 1.00 1.00 ATOM 4 CA ILE 2 -2.190 16.945 128.911 1.00 1.00 ATOM 5 CA VAL 3 -1.805 20.047 126.756 1.00 1.00 ATOM 6 CA GLU 4 -2.779 19.077 123.316 1.00 1.00 ATOM 7 CA LYS 5 -2.791 20.644 119.860 1.00 1.00 ATOM 8 CA VAL 6 -0.831 23.802 120.735 1.00 1.00 ATOM 9 CA LEU 7 2.153 25.400 119.058 1.00 1.00 ATOM 10 CA ILE 8 4.935 25.078 121.551 1.00 1.00 ATOM 11 CA VAL 9 7.385 27.914 121.516 1.00 1.00 ATOM 12 CA ASP 10 10.484 28.217 123.605 1.00 1.00 ATOM 13 CA PRO 11 13.634 30.284 123.188 1.00 1.00 ATOM 14 CA ILE 12 15.045 27.539 120.894 1.00 1.00 ATOM 15 CA ASP 13 12.103 25.497 119.595 1.00 1.00 ATOM 16 CA GLY 14 8.867 25.898 117.712 1.00 1.00 ATOM 17 CA PHE 16 6.715 22.921 116.938 1.00 1.00 ATOM 18 CA THR 17 3.236 21.416 117.110 1.00 1.00 ATOM 19 CA GLY 18 3.040 18.542 119.581 1.00 1.00 ATOM 20 CA ASP 19 1.426 17.582 122.902 1.00 1.00 ATOM 21 CA VAL 20 2.829 17.867 126.434 1.00 1.00 ATOM 22 CA GLU 21 2.080 15.350 129.155 1.00 1.00 ATOM 23 CA ILE 22 2.812 15.796 132.844 1.00 1.00 ATOM 24 CA GLU 23 1.990 12.831 135.142 1.00 1.00 ATOM 25 CA GLU 24 2.411 15.164 138.133 1.00 1.00 ATOM 26 CA GLY 25 4.510 18.329 138.780 1.00 1.00 ATOM 27 CA LYS 26 7.009 17.838 135.883 1.00 1.00 ATOM 28 CA ILE 27 6.813 17.277 132.178 1.00 1.00 ATOM 29 CA VAL 28 6.842 13.568 131.507 1.00 1.00 ATOM 30 CA LYS 29 6.765 13.118 127.710 1.00 1.00 ATOM 31 CA VAL 30 6.418 15.230 124.580 1.00 1.00 ATOM 32 CA GLU 31 5.105 13.866 121.293 1.00 1.00 ATOM 42 CA LYS 32 -7.066 17.154 132.782 1.00 1.00 ATOM 43 CA ARG 33 -6.928 17.844 129.053 1.00 1.00 ATOM 44 CA GLU 34 -6.339 21.384 127.790 1.00 1.00 ATOM 45 CA CYS 35 -7.000 21.978 124.090 1.00 1.00 ATOM 46 CA ILE 36 -4.510 24.602 122.969 1.00 1.00 ATOM 47 CA PRO 37 -5.681 24.657 119.336 1.00 1.00 ATOM 48 CA ARG 38 -4.824 27.943 117.737 1.00 1.00 ATOM 49 CA GLY 39 -2.746 29.052 120.700 1.00 1.00 ATOM 50 CA VAL 40 0.871 29.165 121.721 1.00 1.00 ATOM 51 CA LEU 41 2.304 27.200 124.599 1.00 1.00 ATOM 52 CA MET 42 5.127 29.021 126.290 1.00 1.00 ATOM 53 CA PRO 43 7.161 28.297 129.407 1.00 1.00 ATOM 54 CA GLY 44 5.673 30.186 132.364 1.00 1.00 ATOM 55 CA PHE 45 7.082 33.681 132.427 1.00 1.00 ATOM 56 CA VAL 46 9.458 34.814 135.097 1.00 1.00 ATOM 57 CA ASP 47 9.602 38.298 136.673 1.00 1.00 ATOM 58 CA PRO 48 13.013 38.745 138.312 1.00 1.00 ATOM 59 CA HIS 49 12.094 42.046 139.978 1.00 1.00 ATOM 60 CA ILE 50 9.013 42.633 142.100 1.00 1.00 ATOM 61 CA HIS 51 8.041 44.281 145.351 1.00 1.00 ATOM 62 CA GLY 52 5.249 42.588 147.317 1.00 1.00 ATOM 63 CA VAL 53 5.927 43.403 150.910 1.00 1.00 ATOM 64 CA VAL 54 7.524 46.891 151.073 1.00 1.00 ATOM 65 CA GLY 55 7.141 49.435 153.813 1.00 1.00 ATOM 66 CA ALA 56 6.910 53.088 152.858 1.00 1.00 ATOM 67 CA ASP 57 6.903 55.528 155.810 1.00 1.00 ATOM 68 CA THR 58 3.957 54.289 157.925 1.00 1.00 ATOM 69 CA MET 59 2.272 52.597 155.039 1.00 1.00 ATOM 70 CA ASN 60 3.104 49.810 152.520 1.00 1.00 ATOM 73 CA CYS 61 -0.055 43.943 147.051 1.00 1.00 ATOM 74 CA ASP 62 0.185 41.006 149.409 1.00 1.00 ATOM 75 CA PHE 63 1.592 37.632 148.374 1.00 1.00 ATOM 76 CA SER 64 -1.932 36.567 147.713 1.00 1.00 ATOM 77 CA GLU 65 -2.979 39.513 145.597 1.00 1.00 ATOM 78 CA MET 66 0.418 39.930 143.865 1.00 1.00 ATOM 79 CA GLU 67 0.796 36.317 142.992 1.00 1.00 ATOM 80 CA GLU 68 -2.705 36.132 141.691 1.00 1.00 ATOM 81 CA PHE 69 -2.033 39.216 139.503 1.00 1.00 ATOM 82 CA LEU 70 1.227 37.654 138.254 1.00 1.00 ATOM 83 CA TYR 71 -0.485 34.465 137.230 1.00 1.00 ATOM 84 CA SER 72 -3.441 36.206 135.400 1.00 1.00 ATOM 85 CA GLN 73 -0.727 37.871 133.301 1.00 1.00 ATOM 86 CA GLY 74 1.144 34.652 132.597 1.00 1.00 ATOM 87 CA VAL 75 3.998 35.002 135.145 1.00 1.00 ATOM 88 CA THR 76 4.433 31.763 137.122 1.00 1.00 ATOM 89 CA THR 77 7.609 32.592 139.064 1.00 1.00 ATOM 90 CA PHE 78 8.533 35.943 140.609 1.00 1.00 ATOM 91 CA LEU 79 11.649 37.042 142.434 1.00 1.00 ATOM 92 CA ALA 80 10.903 39.475 145.111 1.00 1.00 ATOM 93 CA THR 81 13.368 42.060 146.480 1.00 1.00 ATOM 94 CA THR 82 13.717 41.341 150.198 1.00 1.00 ATOM 95 CA VAL 83 14.437 44.799 151.447 1.00 1.00 ATOM 96 CA SER 84 15.415 45.366 155.078 1.00 1.00 ATOM 97 CA THR 85 17.033 48.804 155.468 1.00 1.00 ATOM 98 CA SER 86 20.212 49.831 157.196 1.00 1.00 ATOM 99 CA LEU 87 18.159 50.208 160.406 1.00 1.00 ATOM 100 CA GLU 88 16.784 46.750 160.231 1.00 1.00 ATOM 101 CA LYS 89 18.202 43.395 161.158 1.00 1.00 ATOM 102 CA MET 90 18.896 41.604 157.883 1.00 1.00 ATOM 103 CA LYS 91 17.955 38.111 159.119 1.00 1.00 ATOM 104 CA GLU 92 14.783 39.282 160.779 1.00 1.00 ATOM 105 CA ILE 93 13.945 40.877 157.406 1.00 1.00 ATOM 106 CA LEU 94 14.550 37.740 155.409 1.00 1.00 ATOM 107 CA ARG 95 12.513 35.705 157.883 1.00 1.00 ATOM 108 CA LYS 96 9.664 38.141 157.683 1.00 1.00 ATOM 109 CA ALA 97 9.494 38.178 153.888 1.00 1.00 ATOM 110 CA ARG 98 9.869 34.402 153.803 1.00 1.00 ATOM 111 CA ASP 99 7.076 33.885 156.334 1.00 1.00 ATOM 112 CA TYR 100 4.750 36.220 154.432 1.00 1.00 ATOM 113 CA ILE 101 5.104 34.315 151.209 1.00 1.00 ATOM 114 CA GLU 103 5.015 30.806 152.742 1.00 1.00 ATOM 115 CA ASN 104 1.539 29.388 152.332 1.00 1.00 ATOM 116 CA PRO 105 0.306 32.612 150.699 1.00 1.00 ATOM 117 CA SER 106 1.615 32.547 147.173 1.00 1.00 ATOM 118 CA THR 107 -0.342 30.985 144.389 1.00 1.00 ATOM 119 CA SER 108 2.836 30.416 142.331 1.00 1.00 ATOM 120 CA LEU 109 6.485 29.662 143.056 1.00 1.00 ATOM 121 CA LEU 110 8.870 32.400 144.038 1.00 1.00 ATOM 122 CA GLY 111 12.215 33.247 145.475 1.00 1.00 ATOM 123 CA VAL 112 14.067 36.309 146.799 1.00 1.00 ATOM 124 CA HIS 113 16.994 38.535 146.142 1.00 1.00 ATOM 125 CA LEU 114 18.505 39.492 149.494 1.00 1.00 ATOM 126 CA GLU 115 19.147 43.182 150.029 1.00 1.00 ATOM 127 CA GLY 116 22.450 44.121 151.588 1.00 1.00 ATOM 128 CA PRO 117 21.785 47.604 153.035 1.00 1.00 ATOM 129 CA TYR 118 24.828 47.635 155.263 1.00 1.00 ATOM 130 CA ILE 119 27.949 45.518 155.703 1.00 1.00 ATOM 131 CA SER 120 29.134 44.792 159.263 1.00 1.00 ATOM 132 CA LYS 121 30.022 41.762 161.252 1.00 1.00 ATOM 142 CA GLU 122 22.557 32.004 151.309 1.00 1.00 ATOM 143 CA LYS 123 22.683 28.539 152.934 1.00 1.00 ATOM 144 CA LYS 124 18.854 28.564 152.955 1.00 1.00 ATOM 145 CA GLY 125 18.967 28.742 149.113 1.00 1.00 ATOM 146 CA ALA 126 19.042 32.504 148.351 1.00 1.00 ATOM 147 CA HIS 127 21.811 32.758 145.756 1.00 1.00 ATOM 148 CA SER 128 21.415 36.401 144.861 1.00 1.00 ATOM 149 CA GLU 129 21.993 39.727 146.685 1.00 1.00 ATOM 151 CA HIS 131 22.650 46.391 146.563 1.00 1.00 ATOM 152 CA ILE 132 21.695 50.034 146.063 1.00 1.00 ATOM 153 CA ARG 133 23.895 52.835 144.788 1.00 1.00 ATOM 154 CA PRO 134 21.261 55.350 145.946 1.00 1.00 ATOM 155 CA PRO 135 19.117 56.078 149.034 1.00 1.00 ATOM 162 CA SER 136 29.443 53.024 150.246 1.00 1.00 ATOM 163 CA GLU 137 32.406 51.849 148.165 1.00 1.00 ATOM 164 CA ARG 138 33.876 49.854 151.059 1.00 1.00 ATOM 165 CA GLU 139 30.597 48.119 151.827 1.00 1.00 ATOM 166 CA LEU 140 30.078 47.430 148.114 1.00 1.00 ATOM 167 CA SER 141 33.545 45.890 147.805 1.00 1.00 ATOM 168 CA GLU 142 32.912 43.702 150.897 1.00 1.00 ATOM 169 CA ILE 143 29.586 42.686 149.612 1.00 1.00 ATOM 170 CA ASP 144 30.868 41.696 146.206 1.00 1.00 ATOM 171 CA SER 145 33.793 39.768 147.718 1.00 1.00 ATOM 172 CA PRO 146 31.349 37.922 150.012 1.00 1.00 ATOM 173 CA ALA 147 29.158 37.169 146.996 1.00 1.00 ATOM 174 CA LYS 148 32.067 35.833 145.053 1.00 1.00 ATOM 175 CA MET 149 33.131 33.654 148.092 1.00 1.00 ATOM 176 CA LEU 150 29.570 32.271 148.276 1.00 1.00 ATOM 177 CA THR 151 28.946 31.920 144.524 1.00 1.00 ATOM 180 CA PHE 152 24.813 40.615 142.886 1.00 1.00 ATOM 181 CA ALA 153 21.853 42.598 141.566 1.00 1.00 ATOM 182 CA PRO 154 22.253 46.376 141.734 1.00 1.00 ATOM 183 CA GLU 155 20.217 49.520 141.575 1.00 1.00 ATOM 184 CA ILE 156 22.646 51.948 139.997 1.00 1.00 ATOM 185 CA GLU 157 22.342 55.630 140.688 1.00 1.00 ATOM 186 CA SER 158 24.500 57.723 143.019 1.00 1.00 ATOM 187 CA SER 159 23.263 58.267 146.585 1.00 1.00 ATOM 188 CA GLU 160 25.119 61.530 147.075 1.00 1.00 ATOM 189 CA LEU 161 24.136 63.188 143.865 1.00 1.00 ATOM 190 CA LEU 162 20.496 62.220 144.143 1.00 1.00 ATOM 191 CA LEU 163 20.178 63.470 147.688 1.00 1.00 ATOM 192 CA ARG 164 21.969 66.722 146.942 1.00 1.00 ATOM 193 CA LEU 165 19.933 67.523 143.850 1.00 1.00 ATOM 194 CA VAL 166 16.751 66.680 145.681 1.00 1.00 ATOM 195 CA LYS 167 17.621 69.117 148.395 1.00 1.00 ATOM 196 CA ARG 168 18.770 71.794 146.003 1.00 1.00 ATOM 232 CA ASP 169 35.657 39.102 140.380 1.00 1.00 ATOM 233 CA ILE 170 32.008 38.895 141.319 1.00 1.00 ATOM 234 CA VAL 171 29.128 38.287 138.862 1.00 1.00 ATOM 235 CA LEU 172 26.473 41.029 138.665 1.00 1.00 ATOM 236 CA SER 173 23.200 42.099 137.213 1.00 1.00 ATOM 237 CA ALA 174 22.020 45.692 136.654 1.00 1.00 ATOM 238 CA GLY 175 18.382 46.068 137.626 1.00 1.00 ATOM 239 CA HIS 176 16.008 48.423 135.792 1.00 1.00 ATOM 240 CA SER 177 18.447 49.931 133.289 1.00 1.00 ATOM 241 CA ILE 178 16.520 52.872 131.818 1.00 1.00 ATOM 242 CA ALA 179 18.584 54.932 129.446 1.00 1.00 ATOM 245 CA THR 180 23.648 53.538 131.380 1.00 1.00 ATOM 246 CA PHE 181 23.302 50.977 128.588 1.00 1.00 ATOM 247 CA GLU 182 26.572 52.205 127.106 1.00 1.00 ATOM 248 CA GLU 183 28.335 51.783 130.434 1.00 1.00 ATOM 249 CA PHE 184 27.022 48.288 130.966 1.00 1.00 ATOM 250 CA MET 185 27.748 47.293 127.374 1.00 1.00 ATOM 251 CA LYS 186 31.304 48.521 127.560 1.00 1.00 ATOM 252 CA PHE 187 31.760 46.315 130.583 1.00 1.00 ATOM 253 CA TYR 188 30.220 43.362 128.832 1.00 1.00 ATOM 254 CA LYS 189 32.476 43.902 125.816 1.00 1.00 ATOM 255 CA GLU 190 35.642 43.878 127.921 1.00 1.00 ATOM 256 CA GLY 191 34.698 40.619 129.542 1.00 1.00 ATOM 257 CA VAL 192 33.041 41.636 132.858 1.00 1.00 ATOM 258 CA LYS 193 30.489 39.025 133.995 1.00 1.00 ATOM 259 CA ARG 194 27.650 41.575 134.067 1.00 1.00 ATOM 260 CA ILE 195 24.083 41.183 132.888 1.00 1.00 ATOM 261 CA THR 196 21.314 43.733 132.217 1.00 1.00 ATOM 262 CA HIS 197 17.670 43.910 133.134 1.00 1.00 ATOM 263 CA PHE 198 15.214 46.475 131.928 1.00 1.00 ATOM 264 CA PRO 199 11.681 46.893 133.259 1.00 1.00 ATOM 265 CA ASN 200 8.490 47.372 131.272 1.00 1.00 ATOM 266 CA GLY 201 7.566 50.953 132.158 1.00 1.00 ATOM 267 CA LEU 202 10.870 52.204 130.656 1.00 1.00 ATOM 268 CA LYS 203 10.023 50.664 127.298 1.00 1.00 ATOM 269 CA PRO 204 6.539 52.223 127.089 1.00 1.00 ATOM 270 CA LEU 205 6.276 55.332 129.235 1.00 1.00 ATOM 271 CA HIS 206 8.314 58.555 129.269 1.00 1.00 ATOM 272 CA HIS 207 9.138 61.468 131.448 1.00 1.00 ATOM 273 CA ARG 208 6.260 63.665 130.144 1.00 1.00 ATOM 274 CA ALA 215 3.837 61.347 132.022 1.00 1.00 ATOM 275 CA GLY 216 5.382 62.683 135.251 1.00 1.00 ATOM 276 CA LEU 217 5.112 66.287 133.949 1.00 1.00 ATOM 277 CA LEU 218 1.287 66.104 133.884 1.00 1.00 ATOM 278 CA LEU 219 0.960 67.773 137.290 1.00 1.00 ATOM 279 CA ASP 220 -0.644 66.582 140.465 1.00 1.00 ATOM 280 CA ASP 221 -1.670 63.073 141.384 1.00 1.00 ATOM 281 CA VAL 222 -1.837 62.279 137.708 1.00 1.00 ATOM 282 CA LYS 223 1.930 62.857 137.429 1.00 1.00 ATOM 283 CA LEU 224 2.653 61.162 140.812 1.00 1.00 ATOM 284 CA GLU 225 1.226 57.883 139.391 1.00 1.00 ATOM 285 CA LEU 226 4.321 57.862 137.104 1.00 1.00 ATOM 286 CA ILE 227 7.014 58.567 139.648 1.00 1.00 ATOM 287 CA CYS 228 9.477 55.686 140.061 1.00 1.00 ATOM 288 CA ASP 229 13.234 55.318 140.337 1.00 1.00 ATOM 289 CA GLY 230 15.065 55.339 138.023 1.00 1.00 ATOM 290 CA VAL 231 12.600 57.876 136.629 1.00 1.00 ATOM 291 CA HIS 232 10.736 57.602 133.427 1.00 1.00 ATOM 292 CA LEU 233 13.078 59.110 130.848 1.00 1.00 ATOM 293 CA SER 234 13.053 61.063 127.636 1.00 1.00 ATOM 294 CA ARG 235 11.128 59.024 125.112 1.00 1.00 ATOM 295 CA GLU 236 14.266 58.698 122.872 1.00 1.00 ATOM 296 CA MET 237 15.340 55.945 125.313 1.00 1.00 ATOM 297 CA VAL 238 12.477 53.728 124.420 1.00 1.00 ATOM 298 CA LYS 239 13.853 52.857 120.987 1.00 1.00 ATOM 299 CA LEU 240 17.305 52.387 122.569 1.00 1.00 ATOM 300 CA VAL 241 15.865 49.760 124.923 1.00 1.00 ATOM 301 CA TYR 242 13.787 47.972 122.342 1.00 1.00 ATOM 302 CA LYS 243 16.632 47.782 119.854 1.00 1.00 ATOM 303 CA VAL 244 18.987 46.502 122.605 1.00 1.00 ATOM 304 CA LYS 245 16.404 43.941 123.666 1.00 1.00 ATOM 305 CA LYS 246 15.973 42.630 120.126 1.00 1.00 ATOM 306 CA ALA 247 19.735 41.921 119.930 1.00 1.00 ATOM 307 CA ASN 248 19.944 40.321 123.373 1.00 1.00 ATOM 308 CA GLY 249 21.996 43.172 124.796 1.00 1.00 ATOM 309 CA ILE 250 19.301 43.447 127.482 1.00 1.00 ATOM 310 CA VAL 251 19.153 40.025 129.063 1.00 1.00 ATOM 311 CA LEU 252 15.876 40.139 130.988 1.00 1.00 ATOM 312 CA VAL 253 12.699 42.113 131.265 1.00 1.00 ATOM 313 CA THR 254 11.125 42.518 134.690 1.00 1.00 ATOM 314 CA ASP 255 8.688 44.974 136.252 1.00 1.00 ATOM 315 CA SER 256 9.949 46.585 139.345 1.00 1.00 ATOM 316 CA ILE 257 6.310 46.076 140.306 1.00 1.00 ATOM 317 CA SER 258 5.677 48.498 143.148 1.00 1.00 ATOM 318 CA ALA 259 2.060 49.499 143.574 1.00 1.00 ATOM 319 CA ALA 260 0.618 52.408 145.537 1.00 1.00 ATOM 320 CA GLY 261 -2.859 53.947 145.635 1.00 1.00 ATOM 321 CA LEU 262 -3.411 57.549 144.548 1.00 1.00 ATOM 322 CA LYS 263 -4.125 58.398 148.194 1.00 1.00 ATOM 323 CA ASP 264 -0.622 57.126 148.969 1.00 1.00 ATOM 324 CA GLY 265 0.956 58.950 146.061 1.00 1.00 ATOM 325 CA THR 266 -0.552 62.139 147.555 1.00 1.00 ATOM 326 CA THR 267 1.883 61.954 150.503 1.00 1.00 ATOM 327 CA THR 268 4.196 63.799 148.162 1.00 1.00 ATOM 328 CA LEU 269 1.756 66.678 147.488 1.00 1.00 ATOM 329 CA GLY 270 4.053 69.197 149.139 1.00 1.00 ATOM 330 CA ASP 271 7.429 67.755 148.000 1.00 1.00 ATOM 331 CA LEU 272 8.327 65.303 145.193 1.00 1.00 ATOM 332 CA ARG 282 10.842 63.579 147.546 1.00 1.00 ATOM 333 CA LEU 283 7.845 62.412 149.641 1.00 1.00 ATOM 334 CA GLU 284 6.023 60.704 146.780 1.00 1.00 ATOM 335 CA ASP 285 6.184 56.864 147.187 1.00 1.00 ATOM 336 CA GLY 286 8.020 55.686 144.121 1.00 1.00 ATOM 337 CA THR 287 6.752 52.954 141.968 1.00 1.00 ATOM 338 CA LEU 288 4.449 51.904 139.159 1.00 1.00 ATOM 339 CA ALA 289 2.429 48.685 139.087 1.00 1.00 ATOM 340 CA GLY 290 3.136 46.162 136.339 1.00 1.00 ATOM 341 CA SER 291 3.301 42.527 137.442 1.00 1.00 ATOM 342 CA THR 292 0.185 41.555 135.694 1.00 1.00 ATOM 343 CA LEU 293 0.712 43.453 132.438 1.00 1.00 ATOM 344 CA PHE 294 4.402 42.714 131.628 1.00 1.00 ATOM 345 CA PHE 295 3.982 39.721 129.401 1.00 1.00 ATOM 346 CA SER 296 1.030 41.050 127.455 1.00 1.00 ATOM 347 CA GLN 297 2.777 44.392 126.974 1.00 1.00 ATOM 348 CA ALA 298 6.037 42.858 125.801 1.00 1.00 ATOM 349 CA VAL 299 4.148 40.482 123.537 1.00 1.00 ATOM 350 CA LYS 300 2.037 43.297 122.083 1.00 1.00 ATOM 351 CA ASN 301 4.612 46.059 121.602 1.00 1.00 ATOM 352 CA PHE 302 7.497 43.721 120.881 1.00 1.00 ATOM 353 CA ARG 303 6.280 40.682 118.986 1.00 1.00 ATOM 354 CA LYS 304 2.878 41.604 117.569 1.00 1.00 ATOM 355 CA PHE 305 3.614 45.200 116.583 1.00 1.00 ATOM 356 CA THR 306 7.324 45.596 116.858 1.00 1.00 ATOM 357 CA GLY 307 10.472 43.908 115.808 1.00 1.00 ATOM 358 CA CYS 308 11.079 41.583 118.767 1.00 1.00 ATOM 359 CA SER 309 11.323 37.982 117.654 1.00 1.00 ATOM 360 CA ILE 310 9.107 35.534 119.521 1.00 1.00 ATOM 361 CA THR 311 12.166 33.506 120.630 1.00 1.00 ATOM 362 CA GLU 312 13.955 36.517 122.031 1.00 1.00 ATOM 363 CA LEU 313 10.673 37.359 123.797 1.00 1.00 ATOM 364 CA ALA 314 10.601 33.991 125.533 1.00 1.00 ATOM 365 CA LYS 315 14.284 34.299 126.503 1.00 1.00 ATOM 366 CA VAL 316 13.971 37.800 127.833 1.00 1.00 ATOM 367 CA SER 317 10.675 37.182 129.672 1.00 1.00 ATOM 368 CA SER 318 11.331 33.655 131.023 1.00 1.00 ATOM 369 CA TYR 319 14.442 31.681 130.240 1.00 1.00 ATOM 370 CA ASN 320 17.372 33.983 130.781 1.00 1.00 ATOM 371 CA SER 321 16.126 35.006 134.237 1.00 1.00 ATOM 372 CA CYS 322 15.762 31.323 135.137 1.00 1.00 ATOM 373 CA VAL 323 19.330 30.652 134.027 1.00 1.00 ATOM 374 CA GLU 324 20.874 33.656 135.737 1.00 1.00 ATOM 375 CA LEU 325 19.192 33.051 139.129 1.00 1.00 ATOM 376 CA GLY 326 19.604 29.299 139.364 1.00 1.00 ATOM 377 CA LEU 327 16.040 28.378 138.548 1.00 1.00 ATOM 379 CA ASP 328 16.087 23.991 134.202 1.00 1.00 ATOM 380 CA ASP 329 13.272 23.560 136.743 1.00 1.00 ATOM 381 CA ARG 330 11.857 26.764 135.392 1.00 1.00 ATOM 382 CA GLY 331 12.172 28.742 132.174 1.00 1.00 ATOM 383 CA ARG 332 11.737 26.165 129.471 1.00 1.00 ATOM 384 CA ILE 333 9.593 23.348 128.104 1.00 1.00 ATOM 385 CA ALA 334 11.435 20.100 128.254 1.00 1.00 ATOM 386 CA GLU 335 11.031 16.724 129.848 1.00 1.00 ATOM 387 CA GLY 336 11.821 16.916 133.516 1.00 1.00 ATOM 388 CA THR 337 11.107 20.581 133.895 1.00 1.00 ATOM 389 CA ARG 338 8.365 21.868 136.164 1.00 1.00 ATOM 390 CA ALA 339 5.024 21.903 134.401 1.00 1.00 ATOM 391 CA ASP 340 4.681 25.705 134.499 1.00 1.00 ATOM 392 CA LEU 341 3.062 26.449 131.182 1.00 1.00 ATOM 393 CA VAL 342 1.154 29.240 129.540 1.00 1.00 ATOM 394 CA LEU 343 -1.445 28.612 126.826 1.00 1.00 ATOM 395 CA LEU 344 -1.423 32.139 125.230 1.00 1.00 ATOM 396 CA ASP 345 -4.281 33.482 123.084 1.00 1.00 ATOM 397 CA GLU 346 -3.025 35.639 120.273 1.00 1.00 ATOM 398 CA ASP 347 -6.557 36.336 119.042 1.00 1.00 ATOM 399 CA LEU 348 -7.462 38.251 122.226 1.00 1.00 ATOM 400 CA ASN 349 -7.634 42.003 121.767 1.00 1.00 ATOM 426 CA VAL 350 -3.030 34.016 128.741 1.00 1.00 ATOM 427 CA VAL 351 -5.944 31.577 128.540 1.00 1.00 ATOM 428 CA MET 352 -4.512 28.857 130.728 1.00 1.00 ATOM 429 CA THR 353 -1.625 29.100 133.209 1.00 1.00 ATOM 430 CA ILE 354 -0.248 26.167 135.218 1.00 1.00 ATOM 431 CA LYS 355 2.032 25.809 138.215 1.00 1.00 ATOM 432 CA GLU 356 3.742 22.436 138.608 1.00 1.00 ATOM 433 CA GLY 357 0.998 20.746 136.674 1.00 1.00 ATOM 434 CA GLU 358 -1.946 22.402 138.406 1.00 1.00 ATOM 435 CA VAL 359 -4.180 24.839 136.540 1.00 1.00 ATOM 436 CA VAL 360 -4.266 28.284 138.148 1.00 1.00 ATOM 437 CA PHE 361 -5.910 30.191 135.292 1.00 1.00 ATOM 438 CA ARG 362 -8.496 28.567 133.037 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:03:18 2002 Date: Wed, 21 Aug 2002 12:03:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 11:35:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_504789_29969 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS007_5 Current information on models submitted in prediction T0186TS007 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1GKP_F # Loading PARENT structure: 1gkp (chain: F) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 344 # Total number of atoms in model: 344 # Number of atoms with 1.0 occupancy: 344 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 344 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1GKP_F ATOM 3 CA MET 1 66.352 93.659 128.156 1.00 1.00 ATOM 4 CA ILE 2 66.497 93.337 124.389 1.00 1.00 ATOM 5 CA VAL 3 66.172 89.984 122.687 1.00 1.00 ATOM 6 CA GLU 4 67.165 90.534 119.117 1.00 1.00 ATOM 7 CA LYS 5 67.253 88.614 115.859 1.00 1.00 ATOM 8 CA VAL 6 65.232 85.639 117.055 1.00 1.00 ATOM 9 CA LEU 7 62.266 83.823 115.571 1.00 1.00 ATOM 10 CA ILE 8 59.452 84.478 117.966 1.00 1.00 ATOM 11 CA VAL 9 57.049 81.565 118.286 1.00 1.00 ATOM 12 CA ASP 10 53.918 81.548 120.385 1.00 1.00 ATOM 13 CA PRO 11 50.789 79.416 120.147 1.00 1.00 ATOM 14 CA ILE 12 49.371 81.828 117.553 1.00 1.00 ATOM 15 CA ASP 13 52.301 83.712 116.081 1.00 1.00 ATOM 16 CA GLY 14 55.630 83.051 114.280 1.00 1.00 ATOM 17 CA PHE 16 57.772 85.900 113.125 1.00 1.00 ATOM 18 CA THR 17 61.226 87.485 113.169 1.00 1.00 ATOM 19 CA GLY 18 61.344 90.618 115.308 1.00 1.00 ATOM 20 CA ASP 19 63.023 92.017 118.424 1.00 1.00 ATOM 21 CA VAL 20 61.525 92.157 121.937 1.00 1.00 ATOM 22 CA GLU 21 62.295 95.044 124.342 1.00 1.00 ATOM 23 CA ILE 22 61.417 95.026 128.060 1.00 1.00 ATOM 24 CA GLU 23 62.286 98.193 129.993 1.00 1.00 ATOM 25 CA GLU 24 61.751 96.338 133.210 1.00 1.00 ATOM 26 CA GLY 25 59.659 93.353 134.237 1.00 1.00 ATOM 27 CA LYS 26 57.243 93.395 131.284 1.00 1.00 ATOM 28 CA ILE 27 57.481 93.471 127.536 1.00 1.00 ATOM 29 CA VAL 28 57.495 97.121 126.355 1.00 1.00 ATOM 30 CA LYS 29 57.639 96.968 122.576 1.00 1.00 ATOM 31 CA VAL 30 58.014 94.409 119.807 1.00 1.00 ATOM 32 CA GLU 31 59.377 95.379 116.360 1.00 1.00 ATOM 42 CA LYS 32 71.176 93.717 128.378 1.00 1.00 ATOM 43 CA ARG 33 71.150 92.491 124.786 1.00 1.00 ATOM 44 CA GLU 34 70.669 88.870 123.868 1.00 1.00 ATOM 45 CA CYS 35 71.409 87.793 120.323 1.00 1.00 ATOM 46 CA ILE 36 68.853 85.145 119.397 1.00 1.00 ATOM 47 CA PRO 37 70.067 84.623 115.835 1.00 1.00 ATOM 48 CA ARG 38 69.240 81.147 114.615 1.00 1.00 ATOM 49 CA GLY 39 67.191 80.406 117.707 1.00 1.00 ATOM 50 CA VAL 40 63.535 80.368 118.732 1.00 1.00 ATOM 51 CA LEU 41 62.068 82.768 121.292 1.00 1.00 ATOM 52 CA MET 42 59.274 81.117 123.223 1.00 1.00 ATOM 53 CA PRO 43 57.173 82.194 126.178 1.00 1.00 ATOM 54 CA GLY 44 58.618 80.839 129.369 1.00 1.00 ATOM 55 CA PHE 45 57.252 77.320 129.869 1.00 1.00 ATOM 56 CA VAL 46 54.863 76.469 132.699 1.00 1.00 ATOM 57 CA ASP 47 54.630 73.231 134.638 1.00 1.00 ATOM 58 CA PRO 48 51.218 72.967 136.285 1.00 1.00 ATOM 59 CA HIS 49 52.067 69.962 138.356 1.00 1.00 ATOM 60 CA ILE 50 55.175 69.675 140.576 1.00 1.00 ATOM 61 CA HIS 51 55.976 68.513 144.136 1.00 1.00 ATOM 62 CA GLY 52 58.759 70.589 145.876 1.00 1.00 ATOM 63 CA VAL 53 58.008 70.251 149.620 1.00 1.00 ATOM 64 CA VAL 54 56.429 66.780 150.079 1.00 1.00 ATOM 65 CA GLY 55 56.405 64.061 153.011 1.00 1.00 ATOM 66 CA ALA 56 56.102 60.159 152.465 1.00 1.00 ATOM 67 CA ASP 57 56.120 57.894 155.443 1.00 1.00 ATOM 68 CA THR 58 59.262 58.740 157.377 1.00 1.00 ATOM 69 CA MET 59 60.953 60.511 154.530 1.00 1.00 ATOM 70 CA ASN 60 60.465 63.321 151.963 1.00 1.00 ATOM 73 CA CYS 61 64.222 69.502 145.761 1.00 1.00 ATOM 74 CA ASP 62 63.844 72.587 147.767 1.00 1.00 ATOM 75 CA PHE 63 62.344 75.690 146.210 1.00 1.00 ATOM 76 CA SER 64 65.894 76.855 145.471 1.00 1.00 ATOM 77 CA GLU 65 67.064 73.587 143.766 1.00 1.00 ATOM 78 CA MET 66 63.786 72.841 142.071 1.00 1.00 ATOM 79 CA GLU 67 63.290 76.330 140.637 1.00 1.00 ATOM 80 CA GLU 68 66.935 76.366 139.390 1.00 1.00 ATOM 81 CA PHE 69 66.320 73.039 137.699 1.00 1.00 ATOM 82 CA LEU 70 63.024 74.172 136.190 1.00 1.00 ATOM 83 CA TYR 71 64.773 77.208 134.743 1.00 1.00 ATOM 84 CA SER 72 67.681 75.217 133.269 1.00 1.00 ATOM 85 CA GLN 73 65.019 73.364 131.377 1.00 1.00 ATOM 86 CA GLY 74 63.109 76.376 130.182 1.00 1.00 ATOM 87 CA VAL 75 60.308 76.356 132.769 1.00 1.00 ATOM 88 CA THR 76 59.828 79.833 134.298 1.00 1.00 ATOM 89 CA THR 77 56.658 79.182 136.316 1.00 1.00 ATOM 90 CA PHE 78 55.666 76.111 138.263 1.00 1.00 ATOM 91 CA LEU 79 52.519 75.190 140.167 1.00 1.00 ATOM 92 CA ALA 80 53.188 73.064 143.199 1.00 1.00 ATOM 93 CA THR 81 50.634 70.857 144.746 1.00 1.00 ATOM 94 CA THR 82 50.183 72.075 148.364 1.00 1.00 ATOM 95 CA VAL 83 49.385 68.812 150.065 1.00 1.00 ATOM 96 CA SER 84 48.349 68.807 153.732 1.00 1.00 ATOM 97 CA THR 85 46.808 65.526 154.542 1.00 1.00 ATOM 98 CA SER 86 43.498 64.639 156.297 1.00 1.00 ATOM 99 CA LEU 87 45.411 64.708 159.600 1.00 1.00 ATOM 100 CA GLU 88 46.732 68.248 158.991 1.00 1.00 ATOM 101 CA LYS 89 45.093 71.604 159.298 1.00 1.00 ATOM 102 CA MET 90 44.574 72.890 155.791 1.00 1.00 ATOM 103 CA LYS 91 45.384 76.523 156.479 1.00 1.00 ATOM 104 CA GLU 92 48.496 75.585 158.459 1.00 1.00 ATOM 105 CA ILE 93 49.470 73.523 155.413 1.00 1.00 ATOM 106 CA LEU 94 49.021 76.381 153.056 1.00 1.00 ATOM 107 CA ARG 95 51.070 78.679 155.313 1.00 1.00 ATOM 108 CA LYS 96 53.797 76.069 155.606 1.00 1.00 ATOM 109 CA ALA 97 54.173 75.665 151.792 1.00 1.00 ATOM 110 CA ARG 98 54.168 79.439 151.369 1.00 1.00 ATOM 111 CA ASP 99 56.876 79.805 154.009 1.00 1.00 ATOM 112 CA TYR 100 59.066 77.120 152.377 1.00 1.00 ATOM 113 CA ILE 101 58.895 79.081 149.113 1.00 1.00 ATOM 114 CA GLU 103 59.042 82.676 150.317 1.00 1.00 ATOM 115 CA ASN 104 62.270 84.273 149.160 1.00 1.00 ATOM 116 CA PRO 105 63.636 80.944 148.032 1.00 1.00 ATOM 117 CA SER 106 62.555 80.588 144.379 1.00 1.00 ATOM 118 CA THR 107 64.580 81.746 141.405 1.00 1.00 ATOM 119 CA SER 108 61.382 81.863 139.346 1.00 1.00 ATOM 120 CA LEU 109 57.700 82.567 139.885 1.00 1.00 ATOM 121 CA LEU 110 55.363 80.084 141.287 1.00 1.00 ATOM 122 CA GLY 111 51.926 79.340 142.745 1.00 1.00 ATOM 123 CA VAL 112 49.998 76.469 144.308 1.00 1.00 ATOM 124 CA HIS 113 47.032 74.207 143.856 1.00 1.00 ATOM 125 CA LEU 114 45.396 73.689 147.277 1.00 1.00 ATOM 126 CA GLU 115 44.780 70.120 148.272 1.00 1.00 ATOM 127 CA GLY 116 41.389 69.437 149.910 1.00 1.00 ATOM 128 CA PRO 117 42.017 66.226 151.734 1.00 1.00 ATOM 129 CA TYR 118 38.834 66.328 153.856 1.00 1.00 ATOM 130 CA ILE 119 35.775 68.551 154.178 1.00 1.00 ATOM 131 CA SER 120 34.774 68.947 157.832 1.00 1.00 ATOM 132 CA LYS 121 33.289 71.776 159.868 1.00 1.00 ATOM 142 CA GLU 122 41.297 81.261 147.807 1.00 1.00 ATOM 143 CA LYS 123 41.007 84.880 148.864 1.00 1.00 ATOM 144 CA LYS 124 44.796 84.918 149.333 1.00 1.00 ATOM 145 CA GLY 125 45.186 84.215 145.566 1.00 1.00 ATOM 146 CA ALA 126 44.889 80.432 145.185 1.00 1.00 ATOM 147 CA HIS 127 42.294 79.886 142.495 1.00 1.00 ATOM 148 CA SER 128 42.625 76.106 142.206 1.00 1.00 ATOM 149 CA GLU 129 41.999 73.072 144.427 1.00 1.00 ATOM 151 CA HIS 131 41.383 66.482 145.225 1.00 1.00 ATOM 152 CA ILE 132 42.352 62.822 145.258 1.00 1.00 ATOM 153 CA ARG 133 40.174 59.865 144.414 1.00 1.00 ATOM 154 CA PRO 134 42.829 57.631 145.863 1.00 1.00 ATOM 155 CA PRO 135 44.863 57.269 149.134 1.00 1.00 ATOM 162 CA SER 136 34.508 60.479 149.738 1.00 1.00 ATOM 163 CA GLU 137 31.553 61.341 147.502 1.00 1.00 ATOM 164 CA ARG 138 30.038 63.753 150.040 1.00 1.00 ATOM 165 CA GLU 139 33.297 65.576 150.558 1.00 1.00 ATOM 166 CA LEU 140 33.858 65.716 146.777 1.00 1.00 ATOM 167 CA SER 141 30.416 67.175 146.268 1.00 1.00 ATOM 168 CA GLU 142 30.964 69.778 148.940 1.00 1.00 ATOM 169 CA ILE 143 34.344 70.703 147.572 1.00 1.00 ATOM 170 CA ASP 144 33.129 71.133 144.032 1.00 1.00 ATOM 171 CA SER 145 30.119 73.151 145.072 1.00 1.00 ATOM 172 CA PRO 146 32.342 75.491 147.047 1.00 1.00 ATOM 173 CA ALA 147 34.755 75.697 144.126 1.00 1.00 ATOM 174 CA LYS 148 31.930 76.727 141.764 1.00 1.00 ATOM 175 CA MET 149 30.671 79.414 144.212 1.00 1.00 ATOM 176 CA LEU 150 34.222 80.738 144.419 1.00 1.00 ATOM 177 CA THR 151 35.129 80.439 140.769 1.00 1.00 ATOM 180 CA PHE 152 39.322 71.729 140.714 1.00 1.00 ATOM 181 CA ALA 153 42.316 69.568 139.803 1.00 1.00 ATOM 182 CA PRO 154 41.862 65.852 140.480 1.00 1.00 ATOM 183 CA GLU 155 43.947 62.719 140.782 1.00 1.00 ATOM 184 CA ILE 156 41.561 60.128 139.510 1.00 1.00 ATOM 185 CA GLU 157 41.839 56.561 140.702 1.00 1.00 ATOM 186 CA SER 158 39.598 54.765 143.276 1.00 1.00 ATOM 187 CA SER 159 40.751 54.751 146.905 1.00 1.00 ATOM 188 CA GLU 160 38.868 51.624 147.848 1.00 1.00 ATOM 189 CA LEU 161 39.901 49.553 144.902 1.00 1.00 ATOM 190 CA LEU 162 43.551 50.492 145.040 1.00 1.00 ATOM 191 CA LEU 163 43.787 49.870 148.840 1.00 1.00 ATOM 192 CA ARG 164 42.025 46.505 148.553 1.00 1.00 ATOM 193 CA LEU 165 44.223 45.298 145.665 1.00 1.00 ATOM 194 CA VAL 166 47.385 46.551 147.369 1.00 1.00 ATOM 195 CA LYS 167 46.478 44.473 150.466 1.00 1.00 ATOM 196 CA ARG 168 45.396 41.501 148.449 1.00 1.00 ATOM 232 CA ASP 169 28.457 72.867 137.748 1.00 1.00 ATOM 233 CA ILE 170 32.127 73.136 138.754 1.00 1.00 ATOM 234 CA VAL 171 35.023 73.398 136.311 1.00 1.00 ATOM 235 CA LEU 172 37.741 70.722 136.625 1.00 1.00 ATOM 236 CA SER 173 41.062 69.433 135.405 1.00 1.00 ATOM 237 CA ALA 174 42.188 65.789 135.363 1.00 1.00 ATOM 238 CA GLY 175 45.821 65.593 136.419 1.00 1.00 ATOM 239 CA HIS 176 48.272 63.052 134.943 1.00 1.00 ATOM 240 CA SER 177 45.829 61.209 132.710 1.00 1.00 ATOM 241 CA ILE 178 47.839 58.123 131.650 1.00 1.00 ATOM 242 CA ALA 179 45.749 55.794 129.519 1.00 1.00 ATOM 245 CA THR 180 40.686 57.337 131.171 1.00 1.00 ATOM 246 CA PHE 181 41.032 59.505 128.057 1.00 1.00 ATOM 247 CA GLU 182 37.841 58.075 126.698 1.00 1.00 ATOM 248 CA GLU 183 35.991 58.915 129.905 1.00 1.00 ATOM 249 CA PHE 184 37.304 62.486 129.955 1.00 1.00 ATOM 250 CA MET 185 36.637 63.001 126.252 1.00 1.00 ATOM 251 CA LYS 186 33.059 61.784 126.545 1.00 1.00 ATOM 252 CA PHE 187 32.583 64.381 129.280 1.00 1.00 ATOM 253 CA TYR 188 34.150 67.074 127.160 1.00 1.00 ATOM 254 CA LYS 189 31.907 66.109 124.227 1.00 1.00 ATOM 255 CA GLU 190 28.699 66.386 126.283 1.00 1.00 ATOM 256 CA GLY 191 29.631 69.805 127.514 1.00 1.00 ATOM 257 CA VAL 192 31.228 69.234 130.907 1.00 1.00 ATOM 258 CA LYS 193 33.815 71.980 131.639 1.00 1.00 ATOM 259 CA ARG 194 36.648 69.529 132.105 1.00 1.00 ATOM 260 CA ILE 195 40.254 69.801 130.984 1.00 1.00 ATOM 261 CA THR 196 42.999 67.140 130.656 1.00 1.00 ATOM 262 CA HIS 197 46.646 67.136 131.732 1.00 1.00 ATOM 263 CA PHE 198 49.137 64.410 130.927 1.00 1.00 ATOM 264 CA PRO 199 52.613 64.248 132.310 1.00 1.00 ATOM 265 CA ASN 200 55.853 63.562 130.492 1.00 1.00 ATOM 266 CA GLY 201 56.735 60.119 131.883 1.00 1.00 ATOM 267 CA LEU 202 53.507 58.694 130.532 1.00 1.00 ATOM 268 CA LYS 203 54.386 59.795 126.970 1.00 1.00 ATOM 269 CA PRO 204 57.909 58.278 127.034 1.00 1.00 ATOM 270 CA LEU 205 58.103 55.422 129.592 1.00 1.00 ATOM 271 CA HIS 206 56.012 52.272 129.989 1.00 1.00 ATOM 272 CA HIS 207 55.189 49.612 132.549 1.00 1.00 ATOM 273 CA ARG 208 58.141 47.374 131.616 1.00 1.00 ATOM 274 CA ALA 215 60.486 49.802 133.281 1.00 1.00 ATOM 275 CA GLY 216 58.856 49.015 136.632 1.00 1.00 ATOM 276 CA LEU 217 59.230 45.338 135.848 1.00 1.00 ATOM 277 CA LEU 218 63.045 45.512 135.817 1.00 1.00 ATOM 278 CA LEU 219 63.475 44.466 139.509 1.00 1.00 ATOM 279 CA ASP 220 64.856 46.042 142.597 1.00 1.00 ATOM 280 CA ASP 221 65.853 49.679 142.971 1.00 1.00 ATOM 281 CA VAL 222 66.119 50.021 139.200 1.00 1.00 ATOM 282 CA LYS 223 62.418 49.450 138.934 1.00 1.00 ATOM 283 CA LEU 224 61.628 51.578 141.982 1.00 1.00 ATOM 284 CA GLU 225 62.970 54.437 140.100 1.00 1.00 ATOM 285 CA LEU 226 59.912 54.060 137.797 1.00 1.00 ATOM 286 CA ILE 227 57.189 53.644 140.415 1.00 1.00 ATOM 287 CA CYS 228 54.689 56.484 140.350 1.00 1.00 ATOM 288 CA ASP 229 50.961 56.900 140.480 1.00 1.00 ATOM 289 CA GLY 230 49.176 56.556 138.220 1.00 1.00 ATOM 290 CA VAL 231 51.657 53.852 137.216 1.00 1.00 ATOM 291 CA HIS 232 53.576 53.752 133.997 1.00 1.00 ATOM 292 CA LEU 233 51.310 51.895 131.571 1.00 1.00 ATOM 293 CA SER 234 51.381 49.465 128.658 1.00 1.00 ATOM 294 CA ARG 235 53.279 51.141 125.836 1.00 1.00 ATOM 295 CA GLU 236 50.194 51.163 123.566 1.00 1.00 ATOM 296 CA MET 237 49.035 54.158 125.542 1.00 1.00 ATOM 297 CA VAL 238 51.877 56.333 124.385 1.00 1.00 ATOM 298 CA LYS 239 50.559 56.754 120.812 1.00 1.00 ATOM 299 CA LEU 240 47.124 57.439 122.264 1.00 1.00 ATOM 300 CA VAL 241 48.466 60.319 124.317 1.00 1.00 ATOM 301 CA TYR 242 50.652 61.729 121.564 1.00 1.00 ATOM 302 CA LYS 243 47.810 61.638 119.045 1.00 1.00 ATOM 303 CA VAL 244 45.462 63.265 121.572 1.00 1.00 ATOM 304 CA LYS 245 48.022 65.924 122.377 1.00 1.00 ATOM 305 CA LYS 246 48.510 66.787 118.723 1.00 1.00 ATOM 306 CA ALA 247 44.762 67.452 118.339 1.00 1.00 ATOM 307 CA ASN 248 44.475 69.505 121.549 1.00 1.00 ATOM 308 CA GLY 249 42.432 66.778 123.278 1.00 1.00 ATOM 309 CA ILE 250 45.045 66.814 126.024 1.00 1.00 ATOM 310 CA VAL 251 45.253 70.446 127.132 1.00 1.00 ATOM 311 CA LEU 252 48.465 70.613 129.102 1.00 1.00 ATOM 312 CA VAL 253 51.662 68.739 129.697 1.00 1.00 ATOM 313 CA THR 254 53.113 68.745 133.207 1.00 1.00 ATOM 314 CA ASP 255 55.592 66.537 135.055 1.00 1.00 ATOM 315 CA SER 256 54.240 65.461 138.415 1.00 1.00 ATOM 316 CA ILE 257 57.872 66.128 139.335 1.00 1.00 ATOM 317 CA SER 258 58.519 64.248 142.566 1.00 1.00 ATOM 318 CA ALA 259 62.190 63.473 143.133 1.00 1.00 ATOM 319 CA ALA 260 63.577 60.864 145.487 1.00 1.00 ATOM 320 CA GLY 261 67.063 59.501 145.884 1.00 1.00 ATOM 321 CA LEU 262 67.570 55.854 145.304 1.00 1.00 ATOM 322 CA LYS 263 68.204 55.458 149.168 1.00 1.00 ATOM 323 CA ASP 264 64.701 56.925 149.723 1.00 1.00 ATOM 324 CA GLY 265 63.367 54.614 147.088 1.00 1.00 ATOM 325 CA THR 266 64.789 51.792 148.967 1.00 1.00 ATOM 326 CA THR 267 62.442 52.437 151.901 1.00 1.00 ATOM 327 CA THR 268 60.190 50.210 149.835 1.00 1.00 ATOM 328 CA LEU 269 62.272 47.133 149.572 1.00 1.00 ATOM 329 CA GLY 270 59.978 44.937 151.605 1.00 1.00 ATOM 330 CA ASP 271 56.651 46.210 150.258 1.00 1.00 ATOM 331 CA LEU 272 55.857 48.045 147.114 1.00 1.00 ATOM 332 CA ARG 282 53.378 50.215 149.047 1.00 1.00 ATOM 333 CA LEU 283 56.315 51.627 150.921 1.00 1.00 ATOM 334 CA GLU 284 58.212 52.809 147.817 1.00 1.00 ATOM 335 CA ASP 285 58.029 56.657 147.684 1.00 1.00 ATOM 336 CA GLY 286 56.099 57.196 144.401 1.00 1.00 ATOM 337 CA THR 287 57.386 59.608 141.848 1.00 1.00 ATOM 338 CA LEU 288 59.744 60.255 138.966 1.00 1.00 ATOM 339 CA ALA 289 61.785 63.444 138.618 1.00 1.00 ATOM 340 CA GLY 290 61.165 65.523 135.449 1.00 1.00 ATOM 341 CA SER 291 60.922 69.206 136.042 1.00 1.00 ATOM 342 CA THR 292 64.096 70.021 134.212 1.00 1.00 ATOM 343 CA LEU 293 63.596 67.713 131.283 1.00 1.00 ATOM 344 CA PHE 294 59.944 68.237 130.308 1.00 1.00 ATOM 345 CA PHE 295 60.369 70.929 127.692 1.00 1.00 ATOM 346 CA SER 296 63.377 69.367 125.966 1.00 1.00 ATOM 347 CA GLN 297 61.637 66.057 125.920 1.00 1.00 ATOM 348 CA ALA 298 58.389 67.363 124.495 1.00 1.00 ATOM 349 CA VAL 299 60.265 69.435 121.945 1.00 1.00 ATOM 350 CA LYS 300 62.392 66.449 120.917 1.00 1.00 ATOM 351 CA ASN 301 59.939 63.629 120.692 1.00 1.00 ATOM 352 CA PHE 302 56.974 65.772 119.710 1.00 1.00 ATOM 353 CA ARG 303 58.269 68.579 117.477 1.00 1.00 ATOM 354 CA LYS 304 61.683 67.482 116.211 1.00 1.00 ATOM 355 CA PHE 305 60.945 63.789 115.742 1.00 1.00 ATOM 356 CA THR 306 57.282 63.499 115.825 1.00 1.00 ATOM 357 CA GLY 307 54.118 65.035 114.593 1.00 1.00 ATOM 358 CA CYS 308 53.431 67.663 117.310 1.00 1.00 ATOM 359 CA SER 309 53.164 71.080 115.688 1.00 1.00 ATOM 360 CA ILE 310 55.365 73.796 117.246 1.00 1.00 ATOM 361 CA THR 311 52.302 75.904 118.093 1.00 1.00 ATOM 362 CA GLU 312 50.575 73.030 119.864 1.00 1.00 ATOM 363 CA LEU 313 53.863 72.478 121.708 1.00 1.00 ATOM 364 CA ALA 314 53.864 76.052 123.028 1.00 1.00 ATOM 365 CA LYS 315 50.190 75.819 123.932 1.00 1.00 ATOM 366 CA VAL 316 50.487 72.507 125.736 1.00 1.00 ATOM 367 CA SER 317 53.721 73.419 127.539 1.00 1.00 ATOM 368 CA SER 318 53.004 77.086 128.426 1.00 1.00 ATOM 369 CA TYR 319 49.905 78.894 127.317 1.00 1.00 ATOM 370 CA ASN 320 47.007 76.653 128.103 1.00 1.00 ATOM 371 CA SER 321 48.162 76.112 131.665 1.00 1.00 ATOM 372 CA CYS 322 48.516 79.872 132.074 1.00 1.00 ATOM 373 CA VAL 323 44.953 80.400 130.875 1.00 1.00 ATOM 374 CA GLU 324 43.428 77.623 132.944 1.00 1.00 ATOM 375 CA LEU 325 45.073 78.725 136.177 1.00 1.00 ATOM 376 CA GLY 326 44.690 82.440 135.933 1.00 1.00 ATOM 377 CA LEU 327 48.301 83.236 135.134 1.00 1.00 ATOM 379 CA ASP 328 48.147 87.091 130.308 1.00 1.00 ATOM 380 CA ASP 329 50.974 87.857 132.763 1.00 1.00 ATOM 381 CA ARG 330 52.423 84.468 131.846 1.00 1.00 ATOM 382 CA GLY 331 52.087 82.075 128.949 1.00 1.00 ATOM 383 CA ARG 332 52.622 84.248 125.935 1.00 1.00 ATOM 384 CA ILE 333 54.763 86.915 124.210 1.00 1.00 ATOM 385 CA ALA 334 52.905 90.165 123.939 1.00 1.00 ATOM 386 CA GLU 335 53.356 93.754 125.056 1.00 1.00 ATOM 387 CA GLY 336 52.452 93.983 128.737 1.00 1.00 ATOM 388 CA THR 337 53.181 90.397 129.551 1.00 1.00 ATOM 389 CA ARG 338 55.899 89.474 132.038 1.00 1.00 ATOM 390 CA ALA 339 59.250 89.214 130.256 1.00 1.00 ATOM 391 CA ASP 340 59.548 85.480 130.948 1.00 1.00 ATOM 392 CA LEU 341 61.248 84.277 127.798 1.00 1.00 ATOM 393 CA VAL 342 63.172 81.291 126.503 1.00 1.00 ATOM 394 CA LEU 343 65.773 81.631 123.699 1.00 1.00 ATOM 395 CA LEU 344 65.802 77.998 122.615 1.00 1.00 ATOM 396 CA ASP 345 68.689 76.440 120.686 1.00 1.00 ATOM 397 CA GLU 346 67.468 73.977 118.056 1.00 1.00 ATOM 398 CA ASP 347 71.034 73.197 116.996 1.00 1.00 ATOM 399 CA LEU 348 71.905 71.615 120.352 1.00 1.00 ATOM 400 CA ASN 349 72.101 67.816 120.481 1.00 1.00 ATOM 426 CA VAL 350 67.406 76.586 126.366 1.00 1.00 ATOM 427 CA VAL 351 70.282 78.997 125.789 1.00 1.00 ATOM 428 CA MET 352 68.799 81.966 127.631 1.00 1.00 ATOM 429 CA THR 353 65.930 81.986 130.126 1.00 1.00 ATOM 430 CA ILE 354 64.492 85.224 131.688 1.00 1.00 ATOM 431 CA LYS 355 62.169 85.889 134.626 1.00 1.00 ATOM 432 CA GLU 356 60.467 89.242 134.607 1.00 1.00 ATOM 433 CA GLY 357 63.228 90.668 132.523 1.00 1.00 ATOM 434 CA GLU 358 66.178 89.286 134.396 1.00 1.00 ATOM 435 CA VAL 359 68.447 86.708 132.872 1.00 1.00 ATOM 436 CA VAL 360 68.503 83.442 134.922 1.00 1.00 ATOM 437 CA PHE 361 70.191 81.160 132.318 1.00 1.00 ATOM 438 CA ARG 362 72.811 82.469 129.914 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:10:09 2002 Date: Wed, 21 Aug 2002 12:10:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 11:41:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_568809_29989 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS007_4 Current information on models submitted in prediction T0186TS007 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_4 PIN_568809_29989 6269-7633-6117 08/21/02 11:41:52 casp5@bialko.llnl.gov T0186TS007_1 PIN_548303_29983 6269-7633-6117 08/21/02 11:39:47 casp5@bialko.llnl.gov T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS007_1 PIN_548303_29983 6269-7633-6117 08/21/02 11:39:47 casp5@bialko.llnl.gov T0186TS007_2 PIN_524695_29975 6269-7633-6117 08/21/02 11:37:11 casp5@bialko.llnl.gov T0186TS007_3 PIN_494786_29966 6269-7633-6117 08/21/02 11:34:12 casp5@bialko.llnl.gov T0186TS007_4 PIN_568809_29989 6269-7633-6117 08/21/02 11:41:52 casp5@bialko.llnl.gov T0186TS007_5 PIN_504789_29969 6269-7633-6117 08/21/02 11:35:12 casp5@bialko.llnl.gov T0186SS007_1 PIN_705930_24618 6269-7633-6117 08/15/02 06:57:41 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 T0186 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1GKP_E # Loading PARENT structure: 1gkp (chain: E) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 344 # Total number of atoms in model: 344 # Number of atoms with 1.0 occupancy: 344 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 344 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1GKP_E ATOM 3 CA MET 1 48.080 103.192 110.234 1.00 1.00 ATOM 4 CA ILE 2 47.939 103.481 113.993 1.00 1.00 ATOM 5 CA VAL 3 45.239 101.684 115.918 1.00 1.00 ATOM 6 CA GLU 4 45.506 103.058 119.402 1.00 1.00 ATOM 7 CA LYS 5 43.991 102.527 122.794 1.00 1.00 ATOM 8 CA VAL 6 42.265 99.222 122.052 1.00 1.00 ATOM 9 CA LEU 7 42.157 95.930 123.845 1.00 1.00 ATOM 10 CA ILE 8 44.034 93.564 121.529 1.00 1.00 ATOM 11 CA VAL 9 42.705 90.027 121.522 1.00 1.00 ATOM 12 CA ASP 10 44.188 87.151 119.679 1.00 1.00 ATOM 13 CA PRO 11 43.904 83.412 120.190 1.00 1.00 ATOM 14 CA ILE 12 46.816 83.648 122.651 1.00 1.00 ATOM 15 CA ASP 13 47.049 87.276 123.812 1.00 1.00 ATOM 16 CA GLY 14 44.854 89.929 125.493 1.00 1.00 ATOM 17 CA PHE 16 46.325 93.318 126.267 1.00 1.00 ATOM 18 CA THR 17 45.923 97.047 125.866 1.00 1.00 ATOM 19 CA GLY 18 48.556 98.538 123.482 1.00 1.00 ATOM 20 CA ASP 19 48.827 100.325 120.164 1.00 1.00 ATOM 21 CA VAL 20 49.462 98.832 116.692 1.00 1.00 ATOM 22 CA GLU 21 51.447 100.648 114.041 1.00 1.00 ATOM 23 CA ILE 22 51.746 99.663 110.401 1.00 1.00 ATOM 24 CA GLU 23 54.021 101.727 108.129 1.00 1.00 ATOM 25 CA GLU 24 52.353 100.197 105.070 1.00 1.00 ATOM 26 CA GLY 25 50.682 96.853 104.560 1.00 1.00 ATOM 27 CA LYS 26 52.152 94.984 107.533 1.00 1.00 ATOM 28 CA ILE 27 52.342 95.529 111.290 1.00 1.00 ATOM 29 CA VAL 28 55.636 97.316 112.067 1.00 1.00 ATOM 30 CA LYS 29 55.550 97.794 115.823 1.00 1.00 ATOM 31 CA VAL 30 53.374 97.105 118.856 1.00 1.00 ATOM 32 CA GLU 31 53.732 99.038 122.088 1.00 1.00 ATOM 42 CA LYS 32 45.685 107.299 109.667 1.00 1.00 ATOM 43 CA ARG 33 44.834 107.123 113.399 1.00 1.00 ATOM 44 CA GLU 34 42.002 104.968 114.658 1.00 1.00 ATOM 45 CA CYS 35 41.008 105.395 118.329 1.00 1.00 ATOM 46 CA ILE 36 39.935 101.974 119.566 1.00 1.00 ATOM 47 CA PRO 37 39.222 103.030 123.143 1.00 1.00 ATOM 48 CA ARG 38 36.617 100.787 124.751 1.00 1.00 ATOM 49 CA GLY 39 36.725 98.339 121.836 1.00 1.00 ATOM 50 CA VAL 40 38.422 95.043 120.976 1.00 1.00 ATOM 51 CA LEU 41 41.034 94.758 118.290 1.00 1.00 ATOM 52 CA MET 42 40.907 91.367 116.544 1.00 1.00 ATOM 53 CA PRO 43 42.778 89.801 113.667 1.00 1.00 ATOM 54 CA GLY 44 40.639 90.064 110.559 1.00 1.00 ATOM 55 CA PHE 45 38.313 87.094 110.449 1.00 1.00 ATOM 56 CA VAL 46 38.625 84.370 107.808 1.00 1.00 ATOM 57 CA ASP 47 35.859 82.410 106.168 1.00 1.00 ATOM 58 CA PRO 48 37.268 79.179 104.741 1.00 1.00 ATOM 59 CA HIS 49 34.104 78.242 102.891 1.00 1.00 ATOM 60 CA ILE 50 32.168 80.481 100.505 1.00 1.00 ATOM 61 CA HIS 51 30.484 80.362 97.103 1.00 1.00 ATOM 62 CA GLY 52 30.687 83.567 95.018 1.00 1.00 ATOM 63 CA VAL 53 30.640 82.459 91.405 1.00 1.00 ATOM 64 CA VAL 54 28.419 79.345 91.154 1.00 1.00 ATOM 65 CA GLY 55 26.205 78.318 88.276 1.00 1.00 ATOM 66 CA ALA 56 22.876 76.725 88.996 1.00 1.00 ATOM 67 CA ASP 57 20.844 75.512 86.008 1.00 1.00 ATOM 68 CA THR 58 20.402 78.616 83.780 1.00 1.00 ATOM 69 CA MET 59 21.188 81.064 86.562 1.00 1.00 ATOM 70 CA ASN 60 23.878 81.809 89.193 1.00 1.00 ATOM 73 CA CYS 61 26.906 87.629 94.971 1.00 1.00 ATOM 74 CA ASP 62 29.745 88.775 92.804 1.00 1.00 ATOM 75 CA PHE 63 33.292 89.186 94.097 1.00 1.00 ATOM 76 CA SER 64 32.451 92.810 94.550 1.00 1.00 ATOM 77 CA GLU 65 29.212 92.408 96.495 1.00 1.00 ATOM 78 CA MET 66 30.391 89.316 98.422 1.00 1.00 ATOM 79 CA GLU 67 33.656 90.862 99.542 1.00 1.00 ATOM 80 CA GLU 68 31.919 94.089 100.615 1.00 1.00 ATOM 81 CA PHE 69 29.501 92.035 102.666 1.00 1.00 ATOM 82 CA LEU 70 32.305 89.993 104.219 1.00 1.00 ATOM 83 CA TYR 71 34.117 93.150 105.253 1.00 1.00 ATOM 84 CA SER 72 31.052 94.744 106.772 1.00 1.00 ATOM 85 CA GLN 73 30.840 91.657 108.965 1.00 1.00 ATOM 86 CA GLY 74 34.525 91.677 109.996 1.00 1.00 ATOM 87 CA VAL 75 35.783 89.045 107.527 1.00 1.00 ATOM 88 CA THR 76 38.874 90.185 105.697 1.00 1.00 ATOM 89 CA THR 77 39.862 86.971 103.873 1.00 1.00 ATOM 90 CA PHE 78 37.586 84.391 102.241 1.00 1.00 ATOM 91 CA LEU 79 38.283 81.060 100.577 1.00 1.00 ATOM 92 CA ALA 80 35.994 80.301 97.739 1.00 1.00 ATOM 93 CA THR 81 35.163 76.864 96.485 1.00 1.00 ATOM 94 CA THR 82 36.213 76.755 92.821 1.00 1.00 ATOM 95 CA VAL 83 33.664 74.279 91.482 1.00 1.00 ATOM 96 CA SER 84 33.919 73.032 87.908 1.00 1.00 ATOM 97 CA THR 85 31.806 69.913 87.390 1.00 1.00 ATOM 98 CA SER 86 32.705 66.530 85.935 1.00 1.00 ATOM 99 CA LEU 87 31.668 67.904 82.501 1.00 1.00 ATOM 100 CA GLU 88 33.973 70.946 82.794 1.00 1.00 ATOM 101 CA LYS 89 37.688 71.216 82.136 1.00 1.00 ATOM 102 CA MET 90 39.270 71.707 85.572 1.00 1.00 ATOM 103 CA LYS 91 41.926 74.183 84.464 1.00 1.00 ATOM 104 CA GLU 92 39.427 76.233 82.482 1.00 1.00 ATOM 105 CA ILE 93 37.305 76.249 85.625 1.00 1.00 ATOM 106 CA LEU 94 40.132 77.509 87.796 1.00 1.00 ATOM 107 CA ARG 95 40.929 80.194 85.208 1.00 1.00 ATOM 108 CA LYS 96 37.268 81.180 85.057 1.00 1.00 ATOM 109 CA ALA 97 36.927 81.611 88.859 1.00 1.00 ATOM 110 CA ARG 98 40.264 83.419 88.968 1.00 1.00 ATOM 111 CA ASP 99 39.040 85.805 86.181 1.00 1.00 ATOM 112 CA TYR 100 35.798 86.528 88.069 1.00 1.00 ATOM 113 CA ILE 101 37.674 87.609 91.173 1.00 1.00 ATOM 114 CA GLU 103 40.632 89.380 89.617 1.00 1.00 ATOM 115 CA ASN 104 40.462 93.079 90.246 1.00 1.00 ATOM 116 CA PRO 105 36.989 92.762 91.725 1.00 1.00 ATOM 117 CA SER 106 37.523 92.004 95.373 1.00 1.00 ATOM 118 CA THR 107 37.664 94.537 98.206 1.00 1.00 ATOM 119 CA SER 108 39.625 92.059 100.378 1.00 1.00 ATOM 120 CA LEU 109 42.060 89.272 99.957 1.00 1.00 ATOM 121 CA LEU 110 40.901 85.800 98.932 1.00 1.00 ATOM 122 CA GLY 111 41.965 82.408 97.673 1.00 1.00 ATOM 123 CA VAL 112 40.421 79.152 96.437 1.00 1.00 ATOM 124 CA HIS 113 39.955 75.489 97.205 1.00 1.00 ATOM 125 CA LEU 114 40.141 73.608 93.920 1.00 1.00 ATOM 126 CA GLU 115 37.331 71.105 93.265 1.00 1.00 ATOM 127 CA GLY 116 38.335 67.754 91.880 1.00 1.00 ATOM 128 CA PRO 117 35.104 66.490 90.300 1.00 1.00 ATOM 129 CA TYR 118 36.792 63.742 88.332 1.00 1.00 ATOM 130 CA ILE 119 40.216 62.126 88.106 1.00 1.00 ATOM 131 CA SER 120 42.022 61.226 84.911 1.00 1.00 ATOM 132 CA LYS 121 45.459 61.843 83.401 1.00 1.00 ATOM 142 CA GLU 122 48.790 73.986 92.882 1.00 1.00 ATOM 143 CA LYS 123 51.826 75.629 91.271 1.00 1.00 ATOM 144 CA LYS 124 49.838 78.797 90.975 1.00 1.00 ATOM 145 CA GLY 125 49.393 78.871 94.734 1.00 1.00 ATOM 146 CA ALA 126 46.320 76.811 95.472 1.00 1.00 ATOM 147 CA HIS 127 47.297 74.416 98.247 1.00 1.00 ATOM 148 CA SER 128 43.900 72.818 98.900 1.00 1.00 ATOM 149 CA GLU 129 41.558 70.588 96.976 1.00 1.00 ATOM 151 CA HIS 131 36.128 66.670 96.837 1.00 1.00 ATOM 152 CA ILE 132 32.491 65.642 97.070 1.00 1.00 ATOM 153 CA ARG 133 31.113 62.356 98.366 1.00 1.00 ATOM 154 CA PRO 134 27.735 63.294 96.925 1.00 1.00 ATOM 155 CA PRO 135 26.173 64.613 93.691 1.00 1.00 ATOM 162 CA SER 136 34.188 57.350 93.218 1.00 1.00 ATOM 163 CA GLU 137 36.567 55.484 95.529 1.00 1.00 ATOM 164 CA ARG 138 39.227 55.044 92.916 1.00 1.00 ATOM 165 CA GLU 139 39.081 58.774 91.996 1.00 1.00 ATOM 166 CA LEU 140 39.193 59.700 95.730 1.00 1.00 ATOM 167 CA SER 141 42.209 57.513 96.312 1.00 1.00 ATOM 168 CA GLU 142 44.034 59.042 93.356 1.00 1.00 ATOM 169 CA ILE 143 43.173 62.545 94.394 1.00 1.00 ATOM 170 CA ASP 144 44.385 62.041 98.011 1.00 1.00 ATOM 171 CA SER 145 47.646 60.443 96.802 1.00 1.00 ATOM 172 CA PRO 146 48.305 63.364 94.493 1.00 1.00 ATOM 173 CA ALA 147 47.486 65.706 97.344 1.00 1.00 ATOM 174 CA LYS 148 49.940 63.972 99.647 1.00 1.00 ATOM 175 CA MET 149 52.619 64.108 96.893 1.00 1.00 ATOM 176 CA LEU 150 51.991 67.863 96.546 1.00 1.00 ATOM 177 CA THR 151 51.568 68.678 100.261 1.00 1.00 ATOM 180 CA PHE 152 41.907 67.880 100.889 1.00 1.00 ATOM 181 CA ALA 153 38.699 69.464 101.911 1.00 1.00 ATOM 182 CA PRO 154 35.618 67.241 101.585 1.00 1.00 ATOM 183 CA GLU 155 31.879 67.378 101.477 1.00 1.00 ATOM 184 CA ILE 156 30.895 64.082 103.112 1.00 1.00 ATOM 185 CA GLU 157 27.604 62.401 102.224 1.00 1.00 ATOM 186 CA SER 158 27.027 59.321 100.036 1.00 1.00 ATOM 187 CA SER 159 26.244 60.027 96.382 1.00 1.00 ATOM 188 CA GLU 160 24.377 56.745 95.819 1.00 1.00 ATOM 189 CA LEU 161 22.221 56.904 98.897 1.00 1.00 ATOM 190 CA LEU 162 21.286 60.500 98.394 1.00 1.00 ATOM 191 CA LEU 163 20.214 59.976 94.814 1.00 1.00 ATOM 192 CA ARG 164 18.282 56.793 95.624 1.00 1.00 ATOM 193 CA LEU 165 16.421 58.342 98.535 1.00 1.00 ATOM 194 CA VAL 166 15.651 61.479 96.488 1.00 1.00 ATOM 195 CA LYS 167 14.170 59.374 93.693 1.00 1.00 ATOM 196 CA ARG 168 12.246 57.183 96.138 1.00 1.00 ATOM 232 CA ASP 169 48.629 59.378 104.203 1.00 1.00 ATOM 233 CA ILE 170 46.919 62.622 103.052 1.00 1.00 ATOM 234 CA VAL 171 45.789 65.434 105.284 1.00 1.00 ATOM 235 CA LEU 172 42.115 66.369 105.160 1.00 1.00 ATOM 236 CA SER 173 39.408 68.722 106.351 1.00 1.00 ATOM 237 CA ALA 174 35.761 67.903 106.634 1.00 1.00 ATOM 238 CA GLY 175 33.632 70.831 105.487 1.00 1.00 ATOM 239 CA HIS 176 30.299 71.745 107.040 1.00 1.00 ATOM 240 CA SER 177 30.071 68.951 109.586 1.00 1.00 ATOM 241 CA ILE 178 26.497 69.154 110.816 1.00 1.00 ATOM 242 CA ALA 179 25.592 66.428 113.232 1.00 1.00 ATOM 245 CA THR 180 29.474 62.704 111.695 1.00 1.00 ATOM 246 CA PHE 181 31.317 64.376 114.594 1.00 1.00 ATOM 247 CA GLU 182 31.810 60.949 116.187 1.00 1.00 ATOM 248 CA GLU 183 33.282 59.534 112.969 1.00 1.00 ATOM 249 CA PHE 184 35.658 62.453 112.527 1.00 1.00 ATOM 250 CA MET 185 36.658 62.465 116.229 1.00 1.00 ATOM 251 CA LYS 186 37.394 58.726 116.166 1.00 1.00 ATOM 252 CA PHE 187 39.724 59.403 113.277 1.00 1.00 ATOM 253 CA TYR 188 41.412 62.271 115.065 1.00 1.00 ATOM 254 CA LYS 189 41.850 60.135 118.186 1.00 1.00 ATOM 255 CA GLU 190 43.583 57.336 116.263 1.00 1.00 ATOM 256 CA GLY 191 46.001 59.734 114.687 1.00 1.00 ATOM 257 CA VAL 192 44.495 60.558 111.288 1.00 1.00 ATOM 258 CA LYS 193 45.511 64.080 110.152 1.00 1.00 ATOM 259 CA ARG 194 41.934 65.237 109.805 1.00 1.00 ATOM 260 CA ILE 195 40.381 68.581 110.760 1.00 1.00 ATOM 261 CA THR 196 36.770 69.652 111.149 1.00 1.00 ATOM 262 CA HIS 197 34.829 72.688 109.935 1.00 1.00 ATOM 263 CA PHE 198 31.300 73.536 110.906 1.00 1.00 ATOM 264 CA PRO 199 29.323 76.380 109.359 1.00 1.00 ATOM 265 CA ASN 200 27.166 78.894 111.108 1.00 1.00 ATOM 266 CA GLY 201 23.650 77.808 109.997 1.00 1.00 ATOM 267 CA LEU 202 24.176 74.415 111.667 1.00 1.00 ATOM 268 CA LYS 203 24.861 76.053 115.009 1.00 1.00 ATOM 269 CA PRO 204 21.751 78.274 115.007 1.00 1.00 ATOM 270 CA LEU 205 19.043 76.915 112.652 1.00 1.00 ATOM 271 CA HIS 206 17.374 73.442 112.638 1.00 1.00 ATOM 272 CA HIS 207 15.349 71.191 110.392 1.00 1.00 ATOM 273 CA ARG 208 12.005 72.664 111.376 1.00 1.00 ATOM 274 CA ALA 215 12.874 75.804 109.398 1.00 1.00 ATOM 275 CA GLY 216 12.749 73.665 106.219 1.00 1.00 ATOM 276 CA LEU 217 9.416 72.217 107.369 1.00 1.00 ATOM 277 CA LEU 218 7.666 75.621 107.144 1.00 1.00 ATOM 278 CA LEU 219 6.247 74.955 103.660 1.00 1.00 ATOM 279 CA ASP 220 6.760 76.707 100.334 1.00 1.00 ATOM 280 CA ASP 221 9.343 79.329 99.562 1.00 1.00 ATOM 281 CA VAL 222 9.748 80.115 103.297 1.00 1.00 ATOM 282 CA LYS 223 11.092 76.601 103.806 1.00 1.00 ATOM 283 CA LEU 224 13.140 76.721 100.612 1.00 1.00 ATOM 284 CA GLU 225 15.166 79.582 102.026 1.00 1.00 ATOM 285 CA LEU 226 16.526 77.047 104.602 1.00 1.00 ATOM 286 CA ILE 227 17.412 74.255 102.178 1.00 1.00 ATOM 287 CA CYS 228 21.141 73.561 102.036 1.00 1.00 ATOM 288 CA ASP 229 23.328 70.458 102.024 1.00 1.00 ATOM 289 CA GLY 230 24.046 68.951 104.412 1.00 1.00 ATOM 290 CA VAL 231 20.543 69.844 105.541 1.00 1.00 ATOM 291 CA HIS 232 19.626 71.663 108.669 1.00 1.00 ATOM 292 CA LEU 233 19.332 68.982 111.354 1.00 1.00 ATOM 293 CA SER 234 17.400 68.127 114.443 1.00 1.00 ATOM 294 CA ARG 235 18.062 70.877 116.983 1.00 1.00 ATOM 295 CA GLU 236 19.725 68.395 119.359 1.00 1.00 ATOM 296 CA MET 237 22.792 68.806 117.165 1.00 1.00 ATOM 297 CA VAL 238 23.291 72.455 117.978 1.00 1.00 ATOM 298 CA LYS 239 24.470 71.801 121.559 1.00 1.00 ATOM 299 CA LEU 240 26.708 69.009 120.155 1.00 1.00 ATOM 300 CA VAL 241 28.413 71.468 117.856 1.00 1.00 ATOM 301 CA TYR 242 28.706 74.277 120.402 1.00 1.00 ATOM 302 CA LYS 243 30.197 71.942 123.018 1.00 1.00 ATOM 303 CA VAL 244 32.680 70.547 120.450 1.00 1.00 ATOM 304 CA LYS 245 33.613 74.031 119.323 1.00 1.00 ATOM 305 CA LYS 246 34.295 75.168 122.883 1.00 1.00 ATOM 306 CA ALA 247 36.786 72.290 123.312 1.00 1.00 ATOM 307 CA ASN 248 38.496 72.823 119.989 1.00 1.00 ATOM 308 CA GLY 249 37.139 69.590 118.577 1.00 1.00 ATOM 309 CA ILE 250 35.679 71.658 115.734 1.00 1.00 ATOM 310 CA VAL 251 38.644 73.518 114.300 1.00 1.00 ATOM 311 CA LEU 252 37.039 76.242 112.163 1.00 1.00 ATOM 312 CA VAL 253 33.774 77.996 111.609 1.00 1.00 ATOM 313 CA THR 254 32.837 78.986 108.095 1.00 1.00 ATOM 314 CA ASP 255 29.585 79.770 106.329 1.00 1.00 ATOM 315 CA SER 256 29.092 77.768 103.180 1.00 1.00 ATOM 316 CA ILE 257 27.744 81.156 101.981 1.00 1.00 ATOM 317 CA SER 258 25.631 80.441 98.946 1.00 1.00 ATOM 318 CA ALA 259 22.979 83.120 98.309 1.00 1.00 ATOM 319 CA ALA 260 19.923 82.789 96.067 1.00 1.00 ATOM 320 CA GLY 261 16.879 84.978 95.631 1.00 1.00 ATOM 321 CA LEU 262 13.493 83.627 96.654 1.00 1.00 ATOM 322 CA LYS 263 12.524 83.598 92.991 1.00 1.00 ATOM 323 CA ASP 264 15.490 81.306 92.296 1.00 1.00 ATOM 324 CA GLY 265 14.578 79.095 95.257 1.00 1.00 ATOM 325 CA THR 266 11.170 78.664 93.608 1.00 1.00 ATOM 326 CA THR 267 12.852 76.799 90.794 1.00 1.00 ATOM 327 CA THR 268 12.159 73.840 93.146 1.00 1.00 ATOM 328 CA LEU 269 8.434 74.489 93.511 1.00 1.00 ATOM 329 CA GLY 270 7.548 71.127 91.957 1.00 1.00 ATOM 330 CA ASP 271 10.362 68.953 93.374 1.00 1.00 ATOM 331 CA LEU 272 12.702 69.491 96.308 1.00 1.00 ATOM 332 CA ARG 282 15.587 68.182 94.249 1.00 1.00 ATOM 333 CA LEU 283 15.258 71.251 92.030 1.00 1.00 ATOM 334 CA GLU 284 15.578 73.835 94.886 1.00 1.00 ATOM 335 CA ASP 285 19.001 75.608 94.626 1.00 1.00 ATOM 336 CA GLY 286 20.733 74.679 97.881 1.00 1.00 ATOM 337 CA THR 287 22.301 77.307 100.047 1.00 1.00 ATOM 338 CA LEU 288 21.811 79.862 102.801 1.00 1.00 ATOM 339 CA ALA 289 23.575 83.264 102.849 1.00 1.00 ATOM 340 CA GLY 290 25.831 84.018 105.796 1.00 1.00 ATOM 341 CA SER 291 29.146 85.665 104.825 1.00 1.00 ATOM 342 CA THR 292 28.317 88.964 106.467 1.00 1.00 ATOM 343 CA LEU 293 26.739 87.604 109.636 1.00 1.00 ATOM 344 CA PHE 294 29.087 84.806 110.677 1.00 1.00 ATOM 345 CA PHE 295 31.333 86.758 113.053 1.00 1.00 ATOM 346 CA SER 296 28.599 88.678 114.764 1.00 1.00 ATOM 347 CA GLN 297 26.567 85.469 115.183 1.00 1.00 ATOM 348 CA ALA 298 29.452 83.440 116.594 1.00 1.00 ATOM 349 CA VAL 299 30.468 86.290 118.853 1.00 1.00 ATOM 350 CA LYS 300 26.924 86.779 120.096 1.00 1.00 ATOM 351 CA ASN 301 25.734 83.234 120.660 1.00 1.00 ATOM 352 CA PHE 302 29.200 81.927 121.547 1.00 1.00 ATOM 353 CA ARG 303 31.034 84.599 123.505 1.00 1.00 ATOM 354 CA LYS 304 28.424 87.075 124.703 1.00 1.00 ATOM 355 CA PHE 305 25.717 84.569 125.584 1.00 1.00 ATOM 356 CA THR 306 27.298 81.252 125.574 1.00 1.00 ATOM 357 CA GLY 307 30.183 79.336 126.799 1.00 1.00 ATOM 358 CA CYS 308 32.701 79.977 123.969 1.00 1.00 ATOM 359 CA SER 309 35.830 81.655 125.260 1.00 1.00 ATOM 360 CA ILE 310 36.933 84.730 123.391 1.00 1.00 ATOM 361 CA THR 311 40.266 83.136 122.536 1.00 1.00 ATOM 362 CA GLU 312 38.616 80.015 121.103 1.00 1.00 ATOM 363 CA LEU 313 36.339 82.391 119.147 1.00 1.00 ATOM 364 CA ALA 314 39.325 84.077 117.551 1.00 1.00 ATOM 365 CA LYS 315 40.947 80.787 116.759 1.00 1.00 ATOM 366 CA VAL 316 37.844 79.222 115.337 1.00 1.00 ATOM 367 CA SER 317 36.878 82.271 113.276 1.00 1.00 ATOM 368 CA SER 318 40.320 83.418 112.106 1.00 1.00 ATOM 369 CA TYR 319 43.544 81.769 113.137 1.00 1.00 ATOM 370 CA ASN 320 43.036 78.089 112.689 1.00 1.00 ATOM 371 CA SER 321 41.789 78.460 109.115 1.00 1.00 ATOM 372 CA CYS 322 44.789 80.657 108.381 1.00 1.00 ATOM 373 CA VAL 323 47.094 77.962 109.719 1.00 1.00 ATOM 374 CA GLU 324 45.387 75.091 107.963 1.00 1.00 ATOM 375 CA LEU 325 45.288 76.758 104.571 1.00 1.00 ATOM 376 CA GLY 326 48.758 78.329 104.504 1.00 1.00 ATOM 377 CA LEU 327 47.565 81.865 105.042 1.00 1.00 ATOM 379 CA ASP 328 51.261 84.127 109.528 1.00 1.00 ATOM 380 CA ASP 329 50.355 86.705 106.886 1.00 1.00 ATOM 381 CA ARG 330 46.753 86.358 108.037 1.00 1.00 ATOM 382 CA GLY 331 45.047 85.117 111.158 1.00 1.00 ATOM 383 CA ARG 332 46.846 86.874 113.952 1.00 1.00 ATOM 384 CA ILE 333 48.103 90.176 115.326 1.00 1.00 ATOM 385 CA ALA 334 51.908 90.238 115.409 1.00 1.00 ATOM 386 CA GLU 335 54.718 92.249 113.929 1.00 1.00 ATOM 387 CA GLY 336 55.118 91.251 110.284 1.00 1.00 ATOM 388 CA THR 337 51.526 90.160 109.792 1.00 1.00 ATOM 389 CA ARG 338 49.324 91.799 107.255 1.00 1.00 ATOM 390 CA ALA 339 47.531 94.724 108.865 1.00 1.00 ATOM 391 CA ASP 340 44.078 93.136 108.514 1.00 1.00 ATOM 392 CA LEU 341 42.426 94.254 111.712 1.00 1.00 ATOM 393 CA VAL 342 38.925 94.577 113.149 1.00 1.00 ATOM 394 CA LEU 343 38.053 97.145 115.756 1.00 1.00 ATOM 395 CA LEU 344 35.009 95.471 117.234 1.00 1.00 ATOM 396 CA ASP 345 32.318 97.178 119.330 1.00 1.00 ATOM 397 CA GLU 346 31.134 94.795 122.100 1.00 1.00 ATOM 398 CA ASP 347 28.613 97.411 123.256 1.00 1.00 ATOM 399 CA LEU 348 26.578 97.288 120.036 1.00 1.00 ATOM 400 CA ASN 349 23.084 95.780 120.263 1.00 1.00 ATOM 426 CA VAL 350 32.703 95.779 113.568 1.00 1.00 ATOM 427 CA VAL 351 33.382 99.492 113.821 1.00 1.00 ATOM 428 CA MET 352 36.612 99.685 111.739 1.00 1.00 ATOM 429 CA THR 353 38.003 97.001 109.388 1.00 1.00 ATOM 430 CA ILE 354 41.341 97.207 107.607 1.00 1.00 ATOM 431 CA LYS 355 42.896 95.282 104.764 1.00 1.00 ATOM 432 CA GLU 356 46.691 95.454 104.459 1.00 1.00 ATOM 433 CA GLY 357 46.793 98.784 106.256 1.00 1.00 ATOM 434 CA GLU 358 43.877 100.434 104.370 1.00 1.00 ATOM 435 CA VAL 359 40.600 101.219 106.061 1.00 1.00 ATOM 436 CA VAL 360 37.675 99.450 104.390 1.00 1.00 ATOM 437 CA PHE 361 35.007 100.002 107.045 1.00 1.00 ATOM 438 CA ARG 362 34.924 103.195 109.087 1.00 1.00 TER END ################################ # # # END # # # ################################