From mailer@bialko.llnl.gov Sun Jul 28 09:50:18 2002 Date: Sun, 28 Jul 2002 09:50:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Jul 28 09:23:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_355551_16270 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163SS007_1 Current information on models submitted in prediction T0163SS007 MODEL_INDEX PIN CODE DATE E-mail T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 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: 369 # Number of residues with nonzero confidence: 369 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0163 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-24689.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-15376//target-align-15376.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 404.458 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-24689.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc85.22272/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: Thu Jul 25 16:02:21 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-15376//target-align-15376.a2m METHOD METHOD guide seq name: seed-seqs-24689.a2m(1), 369 bases, C152CBB6 checksum. METHOD ###end 0 MODEL 1 M C 0.809 K C 0.711 R C 0.648 H C 0.561 Y C 0.495 E E 0.542 A E 0.775 V E 0.831 V E 0.841 I E 0.776 G C 0.579 G C 0.707 G C 0.537 I H 0.591 I H 0.639 G H 0.677 S H 0.716 A H 0.741 I H 0.777 A H 0.795 Y H 0.791 Y H 0.784 L H 0.787 A H 0.767 K H 0.738 E H 0.586 N C 0.652 K C 0.694 N C 0.456 T E 0.678 A E 0.711 L E 0.705 F E 0.653 E E 0.497 S C 0.459 G C 0.621 T C 0.611 M C 0.579 G C 0.64 G C 0.634 R C 0.615 T C 0.553 T C 0.519 S C 0.478 A C 0.471 A C 0.468 A C 0.453 G C 0.444 M C 0.39 L C 0.408 G C 0.499 A C 0.487 H C 0.479 A C 0.462 E C 0.509 C C 0.474 E C 0.487 E C 0.488 R C 0.525 D H 0.569 A H 0.618 F H 0.651 F H 0.654 D H 0.662 F H 0.664 A H 0.641 M H 0.681 H H 0.684 S H 0.678 Q H 0.72 R H 0.729 L H 0.729 Y H 0.734 K H 0.74 G H 0.732 L H 0.707 G H 0.681 E H 0.659 E H 0.618 L H 0.546 Y H 0.55 A H 0.528 L H 0.457 S C 0.485 G C 0.613 V C 0.573 D C 0.56 I C 0.491 R C 0.476 Q C 0.401 H C 0.427 N C 0.48 G C 0.564 G C 0.576 M E 0.401 F E 0.493 K E 0.5 L E 0.438 A C 0.447 F C 0.554 S C 0.628 E H 0.572 E H 0.622 D H 0.645 V H 0.687 L H 0.705 Q H 0.709 L H 0.693 R H 0.685 Q H 0.656 M H 0.587 D H 0.513 D C 0.478 L C 0.606 D C 0.604 S C 0.553 V C 0.418 S C 0.364 W E 0.343 Y C 0.429 S C 0.603 K H 0.657 E H 0.685 E H 0.691 V H 0.671 L H 0.658 E H 0.619 K H 0.544 E C 0.471 P C 0.486 Y C 0.49 A C 0.527 S C 0.62 G C 0.614 D C 0.573 I C 0.444 F C 0.391 G E 0.387 A E 0.443 S E 0.508 F E 0.512 I E 0.425 Q C 0.522 D C 0.589 D C 0.549 V C 0.461 H C 0.415 V C 0.446 E C 0.622 P H 0.599 Y H 0.703 F H 0.724 V H 0.733 C H 0.754 K H 0.786 A H 0.791 Y H 0.795 V H 0.805 K H 0.811 A H 0.8 A H 0.787 K H 0.776 M H 0.755 L H 0.58 G C 0.653 A C 0.636 E E 0.468 I E 0.579 F E 0.534 E E 0.403 H C 0.48 T C 0.427 P E 0.442 V E 0.521 L E 0.517 H E 0.516 V E 0.524 E E 0.476 R C 0.428 D C 0.612 G C 0.66 E C 0.574 A E 0.47 L E 0.58 F E 0.639 I E 0.646 K E 0.61 T E 0.505 P C 0.574 S C 0.656 G C 0.602 D E 0.473 V E 0.534 W E 0.521 A E 0.483 N E 0.479 H E 0.614 V E 0.675 V E 0.678 V E 0.606 A E 0.408 S C 0.506 G C 0.624 V C 0.574 W C 0.522 S H 0.496 G H 0.562 M H 0.58 F H 0.594 F H 0.583 K H 0.582 Q H 0.569 L H 0.487 G C 0.621 L C 0.606 N C 0.617 N C 0.591 A C 0.587 F C 0.494 L C 0.468 P C 0.457 V C 0.445 K C 0.437 G E 0.404 E E 0.53 C E 0.605 L E 0.624 S E 0.603 V E 0.529 W C 0.469 N C 0.624 D C 0.625 D C 0.609 I C 0.592 P C 0.582 L C 0.529 T C 0.47 K E 0.428 T E 0.466 L E 0.416 Y C 0.494 H C 0.593 D C 0.601 H C 0.46 C E 0.473 Y E 0.57 I E 0.57 V E 0.497 P C 0.418 R C 0.558 K C 0.619 S C 0.654 G C 0.63 R C 0.415 L E 0.596 V E 0.636 V E 0.598 G E 0.438 A C 0.539 T C 0.544 M C 0.498 K C 0.505 P C 0.517 G C 0.554 D C 0.597 W C 0.6 S C 0.648 E C 0.614 T C 0.619 P C 0.624 D C 0.646 L H 0.65 G H 0.673 G H 0.687 L H 0.728 E H 0.75 S H 0.752 V H 0.75 M H 0.756 K H 0.757 K H 0.741 A H 0.716 K H 0.695 T H 0.659 M H 0.59 L C 0.452 P C 0.466 A C 0.445 I C 0.458 Q C 0.501 N C 0.479 M C 0.491 K C 0.443 V H 0.34 D H 0.353 R E 0.373 F E 0.377 W E 0.352 A C 0.401 G C 0.523 L C 0.471 R C 0.458 P C 0.483 G C 0.53 T C 0.621 K C 0.66 D C 0.675 G C 0.601 K C 0.486 P E 0.41 Y E 0.493 I E 0.462 G C 0.461 R C 0.513 H C 0.59 P C 0.618 E C 0.641 D C 0.637 S C 0.637 R C 0.557 I E 0.54 L E 0.617 F E 0.611 A E 0.544 A E 0.422 G C 0.556 H C 0.58 F C 0.595 R C 0.586 N C 0.585 G C 0.555 I C 0.435 L C 0.385 L H 0.398 A H 0.451 P H 0.561 A H 0.621 T H 0.658 G H 0.684 A H 0.696 L H 0.702 I H 0.715 S H 0.729 D H 0.728 L H 0.714 I H 0.687 M H 0.624 N C 0.48 K C 0.649 E C 0.655 V C 0.626 N C 0.58 Q C 0.532 D C 0.549 W C 0.522 L C 0.506 H C 0.529 A C 0.546 F C 0.566 R C 0.639 I H 0.56 D H 0.574 R H 0.591 K H 0.563 E H 0.593 A H 0.531 V C 0.515 Q C 0.576 I C 0.687 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:13:19 2002 Date: Sun, 18 Aug 2002 08:13:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:45:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_602089_26803 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS007_1 Current information on models submitted in prediction T0163TS007 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 casp5@bialko.llnl.gov T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1EL5_B # Loading PARENT structure: 1el5 (chain: B) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 354 # Total number of atoms in model: 354 # Number of atoms with 1.0 occupancy: 354 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 354 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1EL5_B ATOM 1 CA LYS 2 59.642 36.097 -18.815 1.00 1.00 ATOM 2 CA ARG 3 61.474 34.816 -15.724 1.00 1.00 ATOM 3 CA HIS 4 61.038 31.143 -14.908 1.00 1.00 ATOM 4 CA TYR 5 60.771 29.581 -11.480 1.00 1.00 ATOM 5 CA GLU 6 60.169 26.006 -10.387 1.00 1.00 ATOM 6 CA ALA 7 57.249 27.099 -8.214 1.00 1.00 ATOM 7 CA VAL 8 55.332 30.367 -7.731 1.00 1.00 ATOM 8 CA VAL 9 53.449 31.068 -4.492 1.00 1.00 ATOM 9 CA ILE 10 50.759 33.723 -4.745 1.00 1.00 ATOM 10 CA GLY 11 49.970 35.117 -1.296 1.00 1.00 ATOM 11 CA GLY 12 52.978 34.893 0.995 1.00 1.00 ATOM 12 CA GLY 13 51.230 34.973 4.340 1.00 1.00 ATOM 13 CA ILE 14 50.708 32.294 6.976 1.00 1.00 ATOM 14 CA ILE 15 50.446 29.357 4.516 1.00 1.00 ATOM 15 CA GLY 16 52.398 30.694 1.561 1.00 1.00 ATOM 16 CA SER 17 55.513 31.735 3.445 1.00 1.00 ATOM 17 CA ALA 18 55.674 28.366 5.195 1.00 1.00 ATOM 18 CA ILE 19 55.322 26.643 1.819 1.00 1.00 ATOM 19 CA ALA 20 58.114 28.945 0.524 1.00 1.00 ATOM 20 CA TYR 21 60.407 27.946 3.342 1.00 1.00 ATOM 21 CA TYR 22 59.665 24.225 2.775 1.00 1.00 ATOM 22 CA LEU 23 60.353 24.581 -0.949 1.00 1.00 ATOM 23 CA ALA 24 63.516 26.685 -0.646 1.00 1.00 ATOM 24 CA LYS 25 64.926 24.305 1.954 1.00 1.00 ATOM 25 CA GLU 26 64.890 21.665 -0.799 1.00 1.00 ATOM 26 CA ASN 27 66.607 23.748 -3.434 1.00 1.00 ATOM 27 CA LYS 28 63.386 24.391 -5.350 1.00 1.00 ATOM 28 CA ASN 29 63.636 27.757 -7.188 1.00 1.00 ATOM 29 CA THR 30 60.752 29.672 -5.674 1.00 1.00 ATOM 30 CA ALA 31 59.055 33.034 -6.193 1.00 1.00 ATOM 31 CA LEU 32 56.648 34.323 -3.518 1.00 1.00 ATOM 32 CA PHE 33 54.355 37.158 -4.510 1.00 1.00 ATOM 33 CA GLU 34 52.460 39.288 -1.983 1.00 1.00 ATOM 34 CA SER 35 50.107 42.264 -2.263 1.00 1.00 ATOM 35 CA GLY 36 51.834 43.785 0.755 1.00 1.00 ATOM 36 CA THR 37 55.098 43.161 2.676 1.00 1.00 ATOM 38 CA MET 38 54.308 40.057 7.882 1.00 1.00 ATOM 39 CA GLY 39 51.812 42.885 7.738 1.00 1.00 ATOM 40 CA GLY 40 48.549 44.116 9.237 1.00 1.00 ATOM 41 CA ARG 41 46.198 43.827 6.284 1.00 1.00 ATOM 42 CA THR 42 45.621 40.090 6.284 1.00 1.00 ATOM 43 CA THR 43 44.828 37.340 8.788 1.00 1.00 ATOM 44 CA SER 44 48.155 36.977 10.672 1.00 1.00 ATOM 45 CA ALA 45 48.738 40.040 12.845 1.00 1.00 ATOM 46 CA ALA 46 47.738 40.875 16.382 1.00 1.00 ATOM 47 CA ALA 47 50.975 39.216 17.570 1.00 1.00 ATOM 48 CA GLY 48 49.712 35.896 19.015 1.00 1.00 ATOM 49 CA MET 49 47.878 32.723 18.017 1.00 1.00 ATOM 50 CA LEU 50 46.709 29.770 20.036 1.00 1.00 ATOM 51 CA GLY 51 47.872 26.271 19.131 1.00 1.00 ATOM 52 CA ALA 52 45.820 23.417 20.600 1.00 1.00 ATOM 53 CA HIS 53 46.319 19.669 19.999 1.00 1.00 ATOM 54 CA ALA 54 43.108 18.079 21.460 1.00 1.00 ATOM 55 CA GLU 55 40.851 19.658 18.857 1.00 1.00 ATOM 56 CA CYS 56 37.279 20.728 19.496 1.00 1.00 ATOM 57 CA GLU 57 36.605 21.541 15.840 1.00 1.00 ATOM 58 CA ARG 59 37.262 17.857 15.143 1.00 1.00 ATOM 59 CA ASP 60 39.528 15.048 16.321 1.00 1.00 ATOM 60 CA ALA 61 40.601 14.440 12.679 1.00 1.00 ATOM 61 CA PHE 62 42.834 17.568 12.881 1.00 1.00 ATOM 62 CA PHE 63 44.959 16.132 15.691 1.00 1.00 ATOM 63 CA ASP 64 47.677 14.517 13.566 1.00 1.00 ATOM 64 CA PHE 65 48.239 17.749 11.622 1.00 1.00 ATOM 65 CA ALA 66 48.247 19.737 14.876 1.00 1.00 ATOM 66 CA MET 67 50.888 17.421 16.348 1.00 1.00 ATOM 67 CA HIS 68 53.042 17.597 13.239 1.00 1.00 ATOM 68 CA SER 69 52.667 21.405 13.178 1.00 1.00 ATOM 69 CA GLN 70 53.787 21.551 16.810 1.00 1.00 ATOM 70 CA ARG 71 56.934 19.543 15.910 1.00 1.00 ATOM 71 CA LEU 72 57.605 21.955 13.071 1.00 1.00 ATOM 72 CA TYR 73 57.177 24.980 15.345 1.00 1.00 ATOM 73 CA LYS 74 59.742 23.531 17.804 1.00 1.00 ATOM 74 CA GLY 75 62.043 23.102 14.780 1.00 1.00 ATOM 75 CA LEU 76 61.582 26.689 13.679 1.00 1.00 ATOM 76 CA GLY 77 62.315 27.898 17.225 1.00 1.00 ATOM 77 CA GLU 78 65.759 26.280 16.950 1.00 1.00 ATOM 78 CA GLU 79 66.456 27.719 13.518 1.00 1.00 ATOM 79 CA LEU 80 65.839 31.431 14.106 1.00 1.00 ATOM 80 CA GLY 85 66.570 34.170 16.587 1.00 1.00 ATOM 81 CA VAL 86 62.895 35.282 16.505 1.00 1.00 ATOM 82 CA ASP 87 60.617 33.970 19.319 1.00 1.00 ATOM 83 CA ILE 88 58.210 31.322 18.008 1.00 1.00 ATOM 84 CA GLN 90 56.396 29.492 20.810 1.00 1.00 ATOM 85 CA HIS 91 55.606 29.819 24.505 1.00 1.00 ATOM 86 CA ASN 92 54.086 26.790 26.229 1.00 1.00 ATOM 87 CA GLY 93 51.295 28.517 28.139 1.00 1.00 ATOM 88 CA GLY 94 48.988 25.490 28.061 1.00 1.00 ATOM 89 CA MET 95 45.431 25.989 26.760 1.00 1.00 ATOM 90 CA PHE 96 42.286 25.870 28.842 1.00 1.00 ATOM 91 CA LYS 97 38.936 24.861 27.289 1.00 1.00 ATOM 92 CA LEU 98 35.712 25.176 29.300 1.00 1.00 ATOM 93 CA ALA 99 31.983 25.405 28.982 1.00 1.00 ATOM 94 CA PHE 100 28.645 24.493 30.618 1.00 1.00 ATOM 95 CA SER 101 28.659 20.786 31.430 1.00 1.00 ATOM 96 CA GLU 102 26.906 18.736 28.758 1.00 1.00 ATOM 97 CA GLU 103 26.148 21.844 26.736 1.00 1.00 ATOM 98 CA ASP 104 29.220 22.395 24.612 1.00 1.00 ATOM 99 CA VAL 105 29.915 20.281 21.514 1.00 1.00 ATOM 100 CA LEU 106 33.302 22.039 21.331 1.00 1.00 ATOM 101 CA GLN 107 34.249 21.052 24.916 1.00 1.00 ATOM 102 CA LEU 108 32.950 17.499 24.335 1.00 1.00 ATOM 103 CA ARG 109 34.880 16.972 21.082 1.00 1.00 ATOM 104 CA GLN 110 38.009 18.420 22.699 1.00 1.00 ATOM 109 CA MET 111 41.086 10.404 24.739 1.00 1.00 ATOM 110 CA ASP 112 41.274 9.139 21.182 1.00 1.00 ATOM 111 CA ASP 113 44.850 10.301 20.649 1.00 1.00 ATOM 112 CA LEU 114 45.869 9.718 24.263 1.00 1.00 ATOM 113 CA ASP 115 46.946 13.322 24.790 1.00 1.00 ATOM 114 CA SER 116 48.119 14.601 28.201 1.00 1.00 ATOM 115 CA VAL 117 45.310 16.671 29.743 1.00 1.00 ATOM 116 CA SER 118 43.757 17.594 33.104 1.00 1.00 ATOM 117 CA TRP 119 40.002 17.459 33.561 1.00 1.00 ATOM 118 CA TYR 120 38.376 19.678 36.100 1.00 1.00 ATOM 119 CA SER 121 35.094 21.305 36.906 1.00 1.00 ATOM 120 CA LYS 122 33.299 24.085 38.712 1.00 1.00 ATOM 121 CA GLU 123 35.127 25.591 41.641 1.00 1.00 ATOM 122 CA GLU 124 38.296 23.607 40.792 1.00 1.00 ATOM 123 CA VAL 125 38.767 25.840 37.744 1.00 1.00 ATOM 124 CA LEU 126 38.453 28.995 39.819 1.00 1.00 ATOM 125 CA GLU 127 40.789 27.539 42.472 1.00 1.00 ATOM 126 CA LYS 128 43.511 26.497 40.054 1.00 1.00 ATOM 127 CA GLU 129 43.482 29.801 38.117 1.00 1.00 ATOM 128 CA PRO 130 42.756 32.796 40.353 1.00 1.00 ATOM 129 CA TYR 131 41.204 35.291 37.964 1.00 1.00 ATOM 130 CA ALA 132 38.757 32.869 36.358 1.00 1.00 ATOM 131 CA SER 133 35.194 32.826 37.654 1.00 1.00 ATOM 133 CA GLY 134 29.553 28.849 37.274 1.00 1.00 ATOM 134 CA ASP 135 29.712 25.566 39.168 1.00 1.00 ATOM 135 CA ILE 136 28.035 23.701 36.335 1.00 1.00 ATOM 136 CA PHE 137 31.009 24.321 34.013 1.00 1.00 ATOM 137 CA GLY 138 33.618 21.670 33.219 1.00 1.00 ATOM 138 CA ALA 139 36.974 21.940 31.528 1.00 1.00 ATOM 139 CA SER 140 39.872 20.231 29.868 1.00 1.00 ATOM 140 CA PHE 141 43.325 21.742 30.221 1.00 1.00 ATOM 141 CA ILE 142 46.144 20.915 27.786 1.00 1.00 ATOM 142 CA GLN 143 49.506 21.705 29.409 1.00 1.00 ATOM 143 CA ASP 144 51.668 21.200 26.375 1.00 1.00 ATOM 144 CA ASP 145 49.972 23.385 23.885 1.00 1.00 ATOM 145 CA VAL 146 50.212 27.187 23.887 1.00 1.00 ATOM 146 CA HIS 147 50.966 30.363 21.990 1.00 1.00 ATOM 147 CA VAL 148 52.669 31.137 18.720 1.00 1.00 ATOM 148 CA GLU 149 54.001 34.580 17.810 1.00 1.00 ATOM 149 CA PRO 150 52.566 34.647 14.328 1.00 1.00 ATOM 150 CA TYR 151 54.228 37.678 12.845 1.00 1.00 ATOM 151 CA PHE 152 57.541 36.228 14.133 1.00 1.00 ATOM 152 CA VAL 153 56.744 32.902 12.449 1.00 1.00 ATOM 153 CA CYS 154 56.176 34.499 9.063 1.00 1.00 ATOM 154 CA LYS 155 59.198 36.776 9.386 1.00 1.00 ATOM 155 CA ALA 156 61.405 33.783 10.372 1.00 1.00 ATOM 156 CA TYR 157 60.108 31.625 7.532 1.00 1.00 ATOM 157 CA VAL 158 60.675 34.536 5.132 1.00 1.00 ATOM 158 CA LYS 159 64.245 35.192 6.280 1.00 1.00 ATOM 159 CA ALA 160 65.133 31.501 6.158 1.00 1.00 ATOM 160 CA ALA 161 63.576 31.026 2.732 1.00 1.00 ATOM 161 CA LYS 162 65.262 34.110 1.233 1.00 1.00 ATOM 162 CA MET 163 68.620 33.015 2.708 1.00 1.00 ATOM 163 CA LEU 164 68.164 29.832 0.674 1.00 1.00 ATOM 164 CA GLY 165 67.394 31.576 -2.575 1.00 1.00 ATOM 165 CA ALA 166 63.645 32.175 -2.510 1.00 1.00 ATOM 166 CA GLU 167 62.636 35.479 -4.121 1.00 1.00 ATOM 167 CA ILE 168 59.867 37.541 -2.533 1.00 1.00 ATOM 168 CA PHE 169 58.092 40.131 -4.668 1.00 1.00 ATOM 169 CA GLU 170 56.207 42.560 -2.420 1.00 1.00 ATOM 170 CA HIS 171 53.425 45.107 -2.907 1.00 1.00 ATOM 171 CA THR 172 52.413 43.172 -5.981 1.00 1.00 ATOM 172 CA PRO 173 48.835 42.098 -6.396 1.00 1.00 ATOM 173 CA VAL 174 48.359 39.121 -8.724 1.00 1.00 ATOM 174 CA LEU 175 45.359 39.923 -10.895 1.00 1.00 ATOM 175 CA HIS 176 44.986 36.913 -13.176 1.00 1.00 ATOM 176 CA VAL 177 46.343 33.451 -14.001 1.00 1.00 ATOM 177 CA GLU 178 47.151 31.554 -17.177 1.00 1.00 ATOM 178 CA ARG 179 47.261 27.834 -16.580 1.00 1.00 ATOM 179 CA ASP 180 48.271 25.283 -19.151 1.00 1.00 ATOM 180 CA GLY 181 49.024 21.558 -18.895 1.00 1.00 ATOM 181 CA GLU 182 52.777 21.997 -18.363 1.00 1.00 ATOM 182 CA ALA 183 53.176 25.508 -16.921 1.00 1.00 ATOM 183 CA LEU 184 51.559 28.248 -14.940 1.00 1.00 ATOM 184 CA PHE 185 51.764 31.981 -15.448 1.00 1.00 ATOM 185 CA ILE 186 50.952 35.124 -13.562 1.00 1.00 ATOM 186 CA LYS 187 50.715 38.728 -14.651 1.00 1.00 ATOM 187 CA THR 188 52.342 41.699 -12.866 1.00 1.00 ATOM 188 CA PRO 189 53.183 45.366 -13.425 1.00 1.00 ATOM 189 CA SER 190 56.948 44.825 -13.488 1.00 1.00 ATOM 190 CA GLY 191 56.985 41.568 -15.449 1.00 1.00 ATOM 191 CA ASP 192 55.395 38.209 -16.115 1.00 1.00 ATOM 192 CA VAL 193 56.290 35.107 -14.185 1.00 1.00 ATOM 193 CA TRP 194 56.119 31.462 -15.128 1.00 1.00 ATOM 194 CA ALA 195 56.753 28.223 -13.246 1.00 1.00 ATOM 195 CA ASN 196 55.969 24.523 -13.366 1.00 1.00 ATOM 196 CA HIS 197 53.712 24.687 -10.293 1.00 1.00 ATOM 197 CA VAL 198 51.502 27.269 -8.591 1.00 1.00 ATOM 198 CA VAL 199 50.429 27.510 -4.951 1.00 1.00 ATOM 199 CA VAL 200 47.502 29.832 -4.285 1.00 1.00 ATOM 200 CA ALA 201 47.205 31.073 -0.706 1.00 1.00 ATOM 201 CA SER 202 45.639 34.512 -0.753 1.00 1.00 ATOM 202 CA GLY 203 43.798 34.409 2.528 1.00 1.00 ATOM 203 CA VAL 204 40.729 36.639 2.601 1.00 1.00 ATOM 204 CA TRP 205 41.331 37.487 -1.074 1.00 1.00 ATOM 205 CA SER 206 40.752 33.864 -2.116 1.00 1.00 ATOM 206 CA GLY 207 37.043 34.771 -1.831 1.00 1.00 ATOM 207 CA MET 208 37.501 37.285 -4.654 1.00 1.00 ATOM 208 CA PHE 209 40.202 35.816 -6.882 1.00 1.00 ATOM 209 CA PHE 210 39.583 32.040 -7.134 1.00 1.00 ATOM 210 CA LYS 211 37.053 32.818 -9.835 1.00 1.00 ATOM 211 CA GLN 212 40.127 33.731 -11.974 1.00 1.00 ATOM 212 CA LEU 213 40.913 30.025 -11.714 1.00 1.00 ATOM 213 CA GLY 214 37.386 29.054 -12.740 1.00 1.00 ATOM 214 CA LEU 215 36.404 28.133 -9.186 1.00 1.00 ATOM 215 CA ASN 216 33.155 29.002 -7.448 1.00 1.00 ATOM 216 CA ASN 217 33.400 28.173 -3.728 1.00 1.00 ATOM 217 CA ALA 218 31.494 29.954 -0.949 1.00 1.00 ATOM 218 CA PHE 219 34.210 31.772 1.055 1.00 1.00 ATOM 219 CA LEU 220 32.999 34.568 3.327 1.00 1.00 ATOM 220 CA PRO 221 35.478 37.039 4.860 1.00 1.00 ATOM 221 CA VAL 222 34.631 38.348 8.349 1.00 1.00 ATOM 222 CA LYS 223 35.971 41.288 10.360 1.00 1.00 ATOM 223 CA GLY 224 37.279 39.971 13.670 1.00 1.00 ATOM 224 CA GLU 225 38.671 42.175 16.392 1.00 1.00 ATOM 225 CA CYS 226 40.827 41.520 19.439 1.00 1.00 ATOM 226 CA LEU 227 41.593 43.778 22.425 1.00 1.00 ATOM 227 CA SER 228 44.454 43.877 24.981 1.00 1.00 ATOM 228 CA VAL 229 43.292 44.964 28.464 1.00 1.00 ATOM 229 CA TRP 230 45.171 46.239 31.499 1.00 1.00 ATOM 230 CA ASN 231 44.943 43.367 33.991 1.00 1.00 ATOM 231 CA ASP 232 45.879 42.201 37.453 1.00 1.00 ATOM 232 CA ASP 233 49.326 40.812 36.609 1.00 1.00 ATOM 242 CA ILE 234 46.734 29.883 30.307 1.00 1.00 ATOM 243 CA PRO 235 45.770 30.588 26.754 1.00 1.00 ATOM 244 CA LEU 236 42.066 29.685 26.376 1.00 1.00 ATOM 245 CA THR 237 39.184 28.978 24.022 1.00 1.00 ATOM 246 CA LYS 238 35.839 28.614 25.701 1.00 1.00 ATOM 247 CA THR 239 32.132 28.342 25.074 1.00 1.00 ATOM 248 CA LEU 240 29.574 30.429 26.923 1.00 1.00 ATOM 249 CA TYR 241 25.820 31.002 26.215 1.00 1.00 ATOM 250 CA HIS 242 26.385 33.664 23.521 1.00 1.00 ATOM 251 CA ASP 243 29.248 31.839 21.831 1.00 1.00 ATOM 252 CA HIS 244 32.954 31.114 21.747 1.00 1.00 ATOM 253 CA CYS 245 35.714 33.308 23.110 1.00 1.00 ATOM 254 CA TYR 246 39.493 32.900 23.058 1.00 1.00 ATOM 255 CA ILE 247 42.332 34.695 24.727 1.00 1.00 ATOM 256 CA VAL 248 45.887 34.948 25.924 1.00 1.00 ATOM 257 CA PRO 249 47.641 35.638 29.224 1.00 1.00 ATOM 258 CA ARG 250 49.533 38.943 29.550 1.00 1.00 ATOM 259 CA LYS 251 53.081 38.617 28.239 1.00 1.00 ATOM 260 CA SER 252 55.531 41.143 29.723 1.00 1.00 ATOM 261 CA GLY 253 52.628 43.287 30.944 1.00 1.00 ATOM 262 CA ARG 254 51.026 43.714 27.487 1.00 1.00 ATOM 263 CA LEU 255 47.688 42.839 29.078 1.00 1.00 ATOM 264 CA VAL 256 45.270 39.930 28.666 1.00 1.00 ATOM 265 CA VAL 257 44.138 39.613 25.026 1.00 1.00 ATOM 266 CA GLY 258 40.615 38.523 24.134 1.00 1.00 ATOM 267 CA ALA 259 38.628 37.807 20.976 1.00 1.00 ATOM 268 CA THR 260 34.960 36.874 20.374 1.00 1.00 ATOM 269 CA MET 261 35.044 34.084 17.785 1.00 1.00 ATOM 270 CA LYS 262 31.350 33.447 17.085 1.00 1.00 ATOM 271 CA PRO 263 30.505 36.882 15.695 1.00 1.00 ATOM 272 CA GLY 264 32.135 39.170 13.144 1.00 1.00 ATOM 281 CA ASP 265 37.468 49.154 8.216 1.00 1.00 ATOM 282 CA TRP 266 40.685 48.162 10.011 1.00 1.00 ATOM 283 CA SER 267 40.266 50.555 12.911 1.00 1.00 ATOM 284 CA GLU 268 39.337 48.993 16.247 1.00 1.00 ATOM 285 CA THR 269 36.409 50.621 18.027 1.00 1.00 ATOM 286 CA PRO 270 34.482 52.072 15.087 1.00 1.00 ATOM 287 CA ASP 271 31.685 49.621 15.904 1.00 1.00 ATOM 288 CA LEU 272 30.446 49.678 19.511 1.00 1.00 ATOM 289 CA GLY 273 30.358 45.834 19.597 1.00 1.00 ATOM 290 CA GLY 274 34.175 45.777 19.107 1.00 1.00 ATOM 291 CA LEU 275 34.832 46.671 22.691 1.00 1.00 ATOM 292 CA GLU 276 31.518 45.859 24.352 1.00 1.00 ATOM 293 CA SER 277 31.357 42.150 23.339 1.00 1.00 ATOM 294 CA VAL 278 34.808 41.732 24.942 1.00 1.00 ATOM 295 CA MET 279 34.036 43.486 28.225 1.00 1.00 ATOM 296 CA LYS 280 30.751 41.584 28.536 1.00 1.00 ATOM 297 CA LYS 281 32.786 38.338 28.730 1.00 1.00 ATOM 298 CA ALA 282 35.565 39.752 30.955 1.00 1.00 ATOM 299 CA LYS 283 33.305 41.305 33.598 1.00 1.00 ATOM 300 CA THR 284 31.580 37.955 33.945 1.00 1.00 ATOM 301 CA MET 285 34.452 35.416 33.693 1.00 1.00 ATOM 302 CA LEU 286 37.839 37.185 34.148 1.00 1.00 ATOM 303 CA PRO 287 36.864 40.250 36.156 1.00 1.00 ATOM 304 CA ALA 288 40.421 41.283 37.051 1.00 1.00 ATOM 305 CA GLN 290 41.320 41.567 33.378 1.00 1.00 ATOM 306 CA ASN 291 38.718 44.231 32.516 1.00 1.00 ATOM 307 CA MET 292 40.909 47.272 32.825 1.00 1.00 ATOM 308 CA LYS 293 41.727 50.028 30.413 1.00 1.00 ATOM 309 CA VAL 294 41.960 49.075 26.754 1.00 1.00 ATOM 310 CA ASP 295 45.642 49.170 25.853 1.00 1.00 ATOM 311 CA ARG 296 45.522 48.065 22.229 1.00 1.00 ATOM 312 CA PHE 297 43.114 46.837 19.559 1.00 1.00 ATOM 313 CA TRP 298 43.615 45.044 16.233 1.00 1.00 ATOM 314 CA ALA 299 41.281 44.163 13.362 1.00 1.00 ATOM 315 CA GLY 300 41.876 41.001 11.421 1.00 1.00 ATOM 316 CA LEU 301 39.997 38.660 9.047 1.00 1.00 ATOM 317 CA ARG 302 38.652 35.103 8.968 1.00 1.00 ATOM 318 CA PRO 303 37.660 33.460 5.682 1.00 1.00 ATOM 319 CA GLY 304 34.969 30.851 6.324 1.00 1.00 ATOM 320 CA THR 305 33.905 27.839 4.312 1.00 1.00 ATOM 321 CA LYS 306 30.346 26.553 4.825 1.00 1.00 ATOM 322 CA ASP 307 31.498 23.665 7.057 1.00 1.00 ATOM 323 CA GLY 308 34.305 25.690 8.628 1.00 1.00 ATOM 324 CA LYS 309 36.904 23.123 7.566 1.00 1.00 ATOM 325 CA PRO 310 39.892 24.075 5.443 1.00 1.00 ATOM 326 CA TYR 311 40.456 23.687 1.735 1.00 1.00 ATOM 327 CA ILE 312 43.852 22.122 0.977 1.00 1.00 ATOM 328 CA GLY 313 43.975 20.296 -2.335 1.00 1.00 ATOM 329 CA ARG 314 44.972 20.367 -5.996 1.00 1.00 ATOM 330 CA HIS 315 42.784 22.446 -8.334 1.00 1.00 ATOM 331 CA PRO 316 40.266 19.907 -9.692 1.00 1.00 ATOM 332 CA GLU 317 41.157 20.758 -13.303 1.00 1.00 ATOM 333 CA ASP 318 44.877 21.440 -12.874 1.00 1.00 ATOM 334 CA SER 319 47.152 19.083 -11.037 1.00 1.00 ATOM 335 CA ARG 320 49.916 21.708 -11.227 1.00 1.00 ATOM 336 CA ILE 321 47.896 24.176 -9.083 1.00 1.00 ATOM 337 CA LEU 322 47.570 23.806 -5.304 1.00 1.00 ATOM 338 CA PHE 323 44.909 25.706 -3.323 1.00 1.00 ATOM 339 CA ALA 324 45.062 26.658 0.382 1.00 1.00 ATOM 340 CA ALA 325 41.916 28.518 1.506 1.00 1.00 ATOM 341 CA GLY 326 39.049 28.896 3.992 1.00 1.00 ATOM 342 CA HIS 327 40.912 28.507 7.277 1.00 1.00 ATOM 343 CA PHE 328 37.843 29.840 9.019 1.00 1.00 ATOM 344 CA ARG 329 39.563 31.535 11.933 1.00 1.00 ATOM 345 CA ASN 330 41.537 28.514 13.174 1.00 1.00 ATOM 346 CA GLY 331 44.297 27.824 10.665 1.00 1.00 ATOM 347 CA ILE 332 47.425 29.541 11.985 1.00 1.00 ATOM 348 CA LEU 333 48.495 26.803 14.354 1.00 1.00 ATOM 349 CA LEU 334 48.598 24.432 11.396 1.00 1.00 ATOM 350 CA ALA 335 50.480 26.724 9.060 1.00 1.00 ATOM 351 CA PRO 336 53.855 24.986 9.619 1.00 1.00 ATOM 352 CA ALA 337 52.206 21.637 8.811 1.00 1.00 ATOM 353 CA THR 338 50.272 23.132 5.921 1.00 1.00 ATOM 354 CA GLY 339 53.482 24.571 4.454 1.00 1.00 ATOM 355 CA ALA 340 54.844 20.979 4.363 1.00 1.00 ATOM 356 CA LEU 341 51.632 19.652 2.792 1.00 1.00 ATOM 357 CA ILE 342 51.606 22.378 0.125 1.00 1.00 ATOM 358 CA SER 343 55.239 21.611 -0.749 1.00 1.00 ATOM 359 CA ASP 344 54.453 17.906 -1.092 1.00 1.00 ATOM 360 CA LEU 345 51.403 18.607 -3.269 1.00 1.00 ATOM 361 CA ILE 346 53.254 21.039 -5.545 1.00 1.00 ATOM 362 CA MET 347 56.277 18.783 -5.989 1.00 1.00 ATOM 363 CA ASN 348 54.529 15.418 -6.169 1.00 1.00 ATOM 364 CA LYS 349 50.802 15.824 -6.603 1.00 1.00 ATOM 365 CA GLU 350 50.299 13.991 -3.303 1.00 1.00 ATOM 366 CA VAL 351 51.103 14.250 0.393 1.00 1.00 ATOM 367 CA ASN 352 51.975 11.763 3.110 1.00 1.00 ATOM 368 CA GLN 353 49.371 13.466 5.303 1.00 1.00 ATOM 369 CA ASP 354 45.725 12.360 5.223 1.00 1.00 ATOM 370 CA LEU 356 44.047 15.545 4.003 1.00 1.00 ATOM 371 CA HIS 357 40.719 14.138 2.819 1.00 1.00 ATOM 372 CA ALA 358 38.763 16.259 5.299 1.00 1.00 ATOM 373 CA PHE 359 40.078 19.302 3.400 1.00 1.00 ATOM 374 CA ARG 360 39.105 18.052 -0.060 1.00 1.00 ATOM 375 CA ILE 361 38.009 20.735 -2.517 1.00 1.00 ATOM 376 CA ASP 362 35.482 18.190 -3.844 1.00 1.00 ATOM 377 CA ARG 363 33.635 17.514 -0.590 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:14:19 2002 Date: Sun, 18 Aug 2002 08:14:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:46:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_611692_26806 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS007_2 Current information on models submitted in prediction T0163TS007 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_2 PIN_611692_26806 6269-7633-6117 08/18/02 07:46:06 casp5@bialko.llnl.gov T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_2 PIN_611692_26806 6269-7633-6117 08/18/02 07:46:06 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 casp5@bialko.llnl.gov T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1EL7_A # Loading PARENT structure: 1el7 (chain: A) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 354 # Total number of atoms in model: 354 # Number of atoms with 1.0 occupancy: 354 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 354 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1EL7_A ATOM 1 CA LYS 2 -11.651 43.711 59.885 1.00 1.00 ATOM 2 CA ARG 3 -11.349 41.107 57.161 1.00 1.00 ATOM 3 CA HIS 4 -9.509 37.822 57.513 1.00 1.00 ATOM 4 CA TYR 5 -9.140 35.585 54.453 1.00 1.00 ATOM 5 CA GLU 6 -8.486 31.872 53.974 1.00 1.00 ATOM 6 CA ALA 7 -5.611 32.601 51.606 1.00 1.00 ATOM 7 CA VAL 8 -3.735 35.735 50.565 1.00 1.00 ATOM 8 CA VAL 9 -1.842 35.809 47.264 1.00 1.00 ATOM 9 CA ILE 10 0.827 38.543 47.048 1.00 1.00 ATOM 10 CA GLY 11 1.563 39.297 43.400 1.00 1.00 ATOM 11 CA GLY 12 -1.428 38.628 41.176 1.00 1.00 ATOM 12 CA GLY 13 0.432 38.052 37.946 1.00 1.00 ATOM 13 CA ILE 14 0.971 34.947 35.838 1.00 1.00 ATOM 14 CA ILE 15 1.294 32.559 38.765 1.00 1.00 ATOM 15 CA GLY 16 -0.732 34.428 41.369 1.00 1.00 ATOM 16 CA SER 17 -3.875 34.974 39.316 1.00 1.00 ATOM 17 CA ALA 18 -3.897 31.330 38.218 1.00 1.00 ATOM 18 CA ILE 19 -3.647 30.323 41.888 1.00 1.00 ATOM 19 CA ALA 20 -6.408 32.792 42.739 1.00 1.00 ATOM 20 CA TYR 21 -8.654 31.180 40.144 1.00 1.00 ATOM 21 CA TYR 22 -7.937 27.660 41.404 1.00 1.00 ATOM 22 CA LEU 23 -8.639 28.700 45.000 1.00 1.00 ATOM 23 CA ALA 24 -11.783 30.710 44.263 1.00 1.00 ATOM 24 CA LYS 25 -13.197 27.871 42.177 1.00 1.00 ATOM 25 CA GLU 26 -13.102 25.730 45.329 1.00 1.00 ATOM 26 CA ASN 27 -14.919 28.247 47.517 1.00 1.00 ATOM 27 CA LYS 28 -11.707 29.319 49.291 1.00 1.00 ATOM 28 CA ASN 29 -12.035 32.949 50.472 1.00 1.00 ATOM 29 CA THR 30 -9.123 34.593 48.704 1.00 1.00 ATOM 30 CA ALA 31 -7.440 37.994 48.595 1.00 1.00 ATOM 31 CA LEU 32 -5.046 38.812 45.739 1.00 1.00 ATOM 32 CA PHE 33 -2.810 41.847 46.210 1.00 1.00 ATOM 33 CA GLU 34 -0.927 43.473 43.350 1.00 1.00 ATOM 34 CA SER 35 1.357 46.506 43.054 1.00 1.00 ATOM 35 CA GLY 36 -0.402 47.386 39.804 1.00 1.00 ATOM 36 CA THR 37 -3.614 46.345 37.993 1.00 1.00 ATOM 38 CA MET 38 -2.674 42.322 33.440 1.00 1.00 ATOM 39 CA GLY 39 -0.231 45.228 33.101 1.00 1.00 ATOM 40 CA GLY 40 3.051 46.174 31.424 1.00 1.00 ATOM 41 CA ARG 41 5.335 46.503 34.444 1.00 1.00 ATOM 42 CA THR 42 5.932 42.817 35.099 1.00 1.00 ATOM 43 CA THR 43 6.795 39.729 33.093 1.00 1.00 ATOM 44 CA SER 44 3.516 38.928 31.343 1.00 1.00 ATOM 45 CA ALA 45 2.926 41.514 28.645 1.00 1.00 ATOM 46 CA ALA 46 3.899 41.657 24.992 1.00 1.00 ATOM 47 CA ALA 47 0.634 39.896 24.056 1.00 1.00 ATOM 48 CA GLY 48 1.948 36.412 23.306 1.00 1.00 ATOM 49 CA MET 49 3.744 33.509 24.890 1.00 1.00 ATOM 50 CA LEU 50 4.960 30.230 23.424 1.00 1.00 ATOM 51 CA GLY 51 3.880 26.953 24.999 1.00 1.00 ATOM 52 CA ALA 52 5.972 23.898 24.070 1.00 1.00 ATOM 53 CA HIS 53 5.521 20.318 25.264 1.00 1.00 ATOM 54 CA ALA 54 8.764 18.587 24.190 1.00 1.00 ATOM 55 CA GLU 55 10.993 20.624 26.475 1.00 1.00 ATOM 56 CA CYS 56 14.598 21.523 25.671 1.00 1.00 ATOM 57 CA GLU 57 15.209 22.923 29.160 1.00 1.00 ATOM 58 CA ARG 59 14.574 19.434 30.467 1.00 1.00 ATOM 59 CA ASP 60 12.319 16.469 29.760 1.00 1.00 ATOM 60 CA ALA 61 11.198 16.550 33.424 1.00 1.00 ATOM 61 CA PHE 62 8.952 19.557 32.583 1.00 1.00 ATOM 62 CA PHE 63 6.829 17.592 30.099 1.00 1.00 ATOM 63 CA ASP 64 4.125 16.432 32.559 1.00 1.00 ATOM 64 CA PHE 65 3.505 19.992 33.817 1.00 1.00 ATOM 65 CA ALA 66 3.513 21.292 30.228 1.00 1.00 ATOM 66 CA MET 67 0.879 18.737 29.188 1.00 1.00 ATOM 67 CA HIS 68 -1.297 19.431 32.218 1.00 1.00 ATOM 68 CA SER 69 -0.964 23.157 31.576 1.00 1.00 ATOM 69 CA GLN 70 -1.978 22.705 27.951 1.00 1.00 ATOM 70 CA ARG 71 -5.099 20.865 29.130 1.00 1.00 ATOM 71 CA LEU 72 -5.896 23.729 31.547 1.00 1.00 ATOM 72 CA TYR 73 -5.416 26.299 28.778 1.00 1.00 ATOM 73 CA LYS 74 -7.934 24.400 26.666 1.00 1.00 ATOM 74 CA GLY 75 -10.275 24.485 29.666 1.00 1.00 ATOM 75 CA LEU 76 -9.804 28.219 30.092 1.00 1.00 ATOM 76 CA GLY 77 -10.574 28.766 26.412 1.00 1.00 ATOM 77 CA GLU 78 -14.010 27.205 26.928 1.00 1.00 ATOM 78 CA GLU 79 -14.760 29.236 30.047 1.00 1.00 ATOM 79 CA LEU 80 -14.154 32.793 28.818 1.00 1.00 ATOM 80 CA GLY 85 -14.928 35.016 25.817 1.00 1.00 ATOM 81 CA VAL 86 -11.251 36.094 25.786 1.00 1.00 ATOM 82 CA ASP 87 -8.990 34.384 23.235 1.00 1.00 ATOM 83 CA ILE 88 -6.594 32.026 25.010 1.00 1.00 ATOM 84 CA GLN 90 -4.672 29.750 22.618 1.00 1.00 ATOM 85 CA HIS 91 -3.856 29.381 18.911 1.00 1.00 ATOM 86 CA ASN 92 -2.263 26.090 17.749 1.00 1.00 ATOM 87 CA GLY 93 0.562 27.484 15.608 1.00 1.00 ATOM 88 CA GLY 94 2.815 24.554 16.405 1.00 1.00 ATOM 89 CA MET 95 6.390 25.283 17.506 1.00 1.00 ATOM 90 CA PHE 96 9.552 24.820 15.490 1.00 1.00 ATOM 91 CA LYS 97 12.861 24.163 17.218 1.00 1.00 ATOM 92 CA LEU 98 16.066 24.120 15.168 1.00 1.00 ATOM 93 CA ALA 99 19.811 24.523 15.449 1.00 1.00 ATOM 94 CA PHE 100 23.179 23.355 14.081 1.00 1.00 ATOM 95 CA SER 101 23.222 19.541 13.924 1.00 1.00 ATOM 96 CA GLU 102 25.169 18.124 16.867 1.00 1.00 ATOM 97 CA GLU 103 25.708 21.579 18.303 1.00 1.00 ATOM 98 CA ASP 104 22.615 22.285 20.373 1.00 1.00 ATOM 99 CA VAL 105 21.944 20.792 23.793 1.00 1.00 ATOM 100 CA LEU 106 18.554 22.523 23.595 1.00 1.00 ATOM 101 CA GLN 107 17.564 20.878 20.298 1.00 1.00 ATOM 102 CA LEU 108 18.923 17.493 21.462 1.00 1.00 ATOM 103 CA ARG 109 17.001 17.542 24.756 1.00 1.00 ATOM 104 CA GLN 110 13.851 18.658 22.915 1.00 1.00 ATOM 109 CA MET 111 10.854 10.441 22.375 1.00 1.00 ATOM 110 CA ASP 112 10.644 9.858 26.127 1.00 1.00 ATOM 111 CA ASP 113 7.051 11.043 26.406 1.00 1.00 ATOM 112 CA LEU 114 5.910 9.825 23.015 1.00 1.00 ATOM 113 CA ASP 115 5.075 13.297 21.808 1.00 1.00 ATOM 114 CA SER 116 3.954 13.843 18.219 1.00 1.00 ATOM 115 CA VAL 117 6.724 15.657 16.335 1.00 1.00 ATOM 116 CA SER 118 8.246 15.946 12.838 1.00 1.00 ATOM 117 CA TRP 119 12.004 15.714 12.375 1.00 1.00 ATOM 118 CA TYR 120 13.532 17.532 9.411 1.00 1.00 ATOM 119 CA SER 121 16.803 19.114 8.387 1.00 1.00 ATOM 120 CA LYS 122 18.550 21.394 5.976 1.00 1.00 ATOM 121 CA GLU 123 16.623 22.410 2.887 1.00 1.00 ATOM 122 CA GLU 124 13.521 20.541 4.115 1.00 1.00 ATOM 123 CA VAL 125 13.051 23.276 6.718 1.00 1.00 ATOM 124 CA LEU 126 13.311 26.076 4.157 1.00 1.00 ATOM 125 CA GLU 127 10.961 24.182 1.802 1.00 1.00 ATOM 126 CA LYS 128 8.252 23.436 4.344 1.00 1.00 ATOM 127 CA GLU 129 8.184 27.000 5.652 1.00 1.00 ATOM 128 CA PRO 130 8.915 29.545 2.931 1.00 1.00 ATOM 129 CA TYR 131 10.465 32.507 4.721 1.00 1.00 ATOM 130 CA ALA 132 12.919 30.505 6.832 1.00 1.00 ATOM 131 CA SER 133 16.475 30.197 5.555 1.00 1.00 ATOM 133 CA GLY 134 22.156 26.490 6.559 1.00 1.00 ATOM 134 CA ASP 135 22.064 22.884 5.291 1.00 1.00 ATOM 135 CA ILE 136 23.787 21.587 8.433 1.00 1.00 ATOM 136 CA PHE 137 20.838 22.602 10.636 1.00 1.00 ATOM 137 CA GLY 138 18.270 20.106 11.874 1.00 1.00 ATOM 138 CA ALA 139 14.907 20.617 13.490 1.00 1.00 ATOM 139 CA SER 140 12.063 19.173 15.495 1.00 1.00 ATOM 140 CA PHE 141 8.588 20.596 14.831 1.00 1.00 ATOM 141 CA ILE 142 5.793 20.171 17.374 1.00 1.00 ATOM 142 CA GLN 143 2.393 20.545 15.626 1.00 1.00 ATOM 143 CA ASP 144 0.177 20.566 18.695 1.00 1.00 ATOM 144 CA ASP 145 2.076 23.207 20.685 1.00 1.00 ATOM 145 CA VAL 146 1.359 26.874 20.198 1.00 1.00 ATOM 146 CA HIS 147 0.795 30.414 21.341 1.00 1.00 ATOM 147 CA VAL 148 -0.936 31.697 24.442 1.00 1.00 ATOM 148 CA GLU 149 -2.375 35.206 24.675 1.00 1.00 ATOM 149 CA PRO 150 -0.895 35.909 28.103 1.00 1.00 ATOM 150 CA TYR 151 -2.632 39.163 29.003 1.00 1.00 ATOM 151 CA PHE 152 -5.945 37.531 28.020 1.00 1.00 ATOM 152 CA VAL 153 -5.145 34.527 30.232 1.00 1.00 ATOM 153 CA CYS 154 -4.554 36.653 33.311 1.00 1.00 ATOM 154 CA LYS 155 -7.580 38.824 32.519 1.00 1.00 ATOM 155 CA ALA 156 -9.753 35.693 32.163 1.00 1.00 ATOM 156 CA TYR 157 -8.455 34.060 35.339 1.00 1.00 ATOM 157 CA VAL 158 -9.084 37.316 37.201 1.00 1.00 ATOM 158 CA LYS 159 -12.636 37.788 35.920 1.00 1.00 ATOM 159 CA ALA 160 -13.508 34.169 36.681 1.00 1.00 ATOM 160 CA ALA 161 -11.925 34.318 40.147 1.00 1.00 ATOM 161 CA LYS 162 -13.668 37.564 41.088 1.00 1.00 ATOM 162 CA MET 163 -16.996 36.229 39.815 1.00 1.00 ATOM 163 CA LEU 164 -16.511 33.486 42.391 1.00 1.00 ATOM 164 CA GLY 165 -15.739 35.809 45.301 1.00 1.00 ATOM 165 CA ALA 166 -11.990 36.398 45.107 1.00 1.00 ATOM 166 CA GLU 167 -11.058 39.968 46.005 1.00 1.00 ATOM 167 CA ILE 168 -8.296 41.764 44.132 1.00 1.00 ATOM 168 CA PHE 169 -6.581 44.742 45.764 1.00 1.00 ATOM 169 CA GLU 170 -4.769 46.733 43.058 1.00 1.00 ATOM 170 CA HIS 171 -2.036 49.402 43.077 1.00 1.00 ATOM 171 CA THR 172 -1.048 48.101 46.495 1.00 1.00 ATOM 172 CA PRO 173 2.533 47.158 47.154 1.00 1.00 ATOM 173 CA VAL 174 3.112 44.675 49.956 1.00 1.00 ATOM 174 CA LEU 175 6.126 45.913 51.920 1.00 1.00 ATOM 175 CA HIS 176 6.526 43.405 54.749 1.00 1.00 ATOM 176 CA VAL 177 5.209 40.114 56.135 1.00 1.00 ATOM 177 CA GLU 178 4.495 38.762 59.609 1.00 1.00 ATOM 178 CA ARG 179 4.355 34.982 59.724 1.00 1.00 ATOM 179 CA ASP 180 3.216 32.937 62.717 1.00 1.00 ATOM 180 CA GLY 181 2.737 29.173 63.121 1.00 1.00 ATOM 181 CA GLU 182 -1.035 29.552 62.643 1.00 1.00 ATOM 182 CA ALA 183 -1.482 32.644 60.471 1.00 1.00 ATOM 183 CA LEU 184 0.047 35.091 58.034 1.00 1.00 ATOM 184 CA PHE 185 -0.131 38.861 57.741 1.00 1.00 ATOM 185 CA ILE 186 0.901 41.381 55.087 1.00 1.00 ATOM 186 CA LYS 187 1.599 45.101 55.494 1.00 1.00 ATOM 187 CA THR 188 0.828 47.678 52.789 1.00 1.00 ATOM 188 CA PRO 189 0.322 51.431 52.568 1.00 1.00 ATOM 189 CA SER 190 -3.410 50.800 52.158 1.00 1.00 ATOM 190 CA GLY 191 -3.714 48.605 55.276 1.00 1.00 ATOM 191 CA ASP 192 -2.728 45.156 56.615 1.00 1.00 ATOM 192 CA VAL 193 -4.518 41.788 56.095 1.00 1.00 ATOM 193 CA TRP 194 -4.418 38.333 57.659 1.00 1.00 ATOM 194 CA ALA 195 -5.170 34.788 56.518 1.00 1.00 ATOM 195 CA ASN 196 -4.335 31.152 57.242 1.00 1.00 ATOM 196 CA HIS 197 -2.068 30.721 54.223 1.00 1.00 ATOM 197 CA VAL 198 0.180 32.904 52.083 1.00 1.00 ATOM 198 CA VAL 199 1.226 32.478 48.461 1.00 1.00 ATOM 199 CA VAL 200 4.180 34.643 47.388 1.00 1.00 ATOM 200 CA ALA 201 4.529 35.248 43.634 1.00 1.00 ATOM 201 CA SER 202 5.945 38.729 43.069 1.00 1.00 ATOM 202 CA GLY 203 7.865 37.965 39.873 1.00 1.00 ATOM 203 CA VAL 204 10.956 40.184 39.453 1.00 1.00 ATOM 204 CA TRP 205 10.284 41.704 42.883 1.00 1.00 ATOM 205 CA SER 206 10.890 38.327 44.567 1.00 1.00 ATOM 206 CA GLY 207 14.573 39.291 44.111 1.00 1.00 ATOM 207 CA MET 208 14.062 42.270 46.450 1.00 1.00 ATOM 208 CA PHE 209 11.357 41.210 48.915 1.00 1.00 ATOM 209 CA PHE 210 11.959 37.546 49.788 1.00 1.00 ATOM 210 CA LYS 211 14.521 38.780 52.316 1.00 1.00 ATOM 211 CA GLN 212 11.466 39.957 54.294 1.00 1.00 ATOM 212 CA LEU 213 10.677 36.251 54.741 1.00 1.00 ATOM 213 CA GLY 214 14.201 35.469 55.920 1.00 1.00 ATOM 214 CA LEU 215 15.098 33.981 52.543 1.00 1.00 ATOM 215 CA ASN 216 18.444 34.519 50.834 1.00 1.00 ATOM 216 CA ASN 217 18.189 33.131 47.305 1.00 1.00 ATOM 217 CA ALA 218 20.132 34.221 44.225 1.00 1.00 ATOM 218 CA PHE 219 17.553 35.701 41.860 1.00 1.00 ATOM 219 CA LEU 220 18.663 38.043 39.087 1.00 1.00 ATOM 220 CA PRO 221 16.174 40.177 37.149 1.00 1.00 ATOM 221 CA VAL 222 16.950 40.749 33.457 1.00 1.00 ATOM 222 CA LYS 223 15.627 43.341 31.001 1.00 1.00 ATOM 223 CA GLY 224 14.338 41.426 27.981 1.00 1.00 ATOM 224 CA GLU 225 12.931 43.124 24.913 1.00 1.00 ATOM 225 CA CYS 226 10.844 41.939 21.975 1.00 1.00 ATOM 226 CA LEU 227 10.108 43.581 18.642 1.00 1.00 ATOM 227 CA SER 228 7.267 43.299 16.124 1.00 1.00 ATOM 228 CA VAL 229 8.386 43.700 12.489 1.00 1.00 ATOM 229 CA TRP 230 6.552 44.408 9.235 1.00 1.00 ATOM 230 CA ASN 231 6.766 41.100 7.371 1.00 1.00 ATOM 231 CA ASP 232 5.835 39.347 4.140 1.00 1.00 ATOM 232 CA ASP 233 2.374 38.140 5.192 1.00 1.00 ATOM 242 CA ILE 234 4.998 28.522 13.321 1.00 1.00 ATOM 243 CA PRO 235 6.003 29.887 16.678 1.00 1.00 ATOM 244 CA LEU 236 9.654 29.054 17.311 1.00 1.00 ATOM 245 CA THR 237 12.539 28.811 19.743 1.00 1.00 ATOM 246 CA LYS 238 15.887 28.124 18.164 1.00 1.00 ATOM 247 CA THR 239 19.602 28.013 18.849 1.00 1.00 ATOM 248 CA LEU 240 22.251 29.635 16.674 1.00 1.00 ATOM 249 CA TYR 241 25.977 30.178 17.399 1.00 1.00 ATOM 250 CA HIS 242 25.380 33.376 19.376 1.00 1.00 ATOM 251 CA ASP 243 22.386 32.215 21.403 1.00 1.00 ATOM 252 CA HIS 244 18.716 31.327 21.568 1.00 1.00 ATOM 253 CA CYS 245 15.945 33.335 19.905 1.00 1.00 ATOM 254 CA TYR 246 12.176 32.836 19.994 1.00 1.00 ATOM 255 CA ILE 247 9.383 34.261 17.895 1.00 1.00 ATOM 256 CA VAL 248 5.790 34.242 16.781 1.00 1.00 ATOM 257 CA PRO 249 4.034 34.318 13.413 1.00 1.00 ATOM 258 CA ARG 250 2.230 37.536 12.445 1.00 1.00 ATOM 259 CA LYS 251 -1.331 37.531 13.829 1.00 1.00 ATOM 260 CA SER 252 -3.859 39.628 11.934 1.00 1.00 ATOM 261 CA GLY 253 -0.987 41.368 10.168 1.00 1.00 ATOM 262 CA ARG 254 0.573 42.795 13.316 1.00 1.00 ATOM 263 CA LEU 255 4.000 41.459 12.282 1.00 1.00 ATOM 264 CA VAL 256 6.401 38.659 13.214 1.00 1.00 ATOM 265 CA VAL 257 7.513 39.050 16.825 1.00 1.00 ATOM 266 CA GLY 258 11.047 38.171 17.913 1.00 1.00 ATOM 267 CA ALA 259 13.046 38.051 21.138 1.00 1.00 ATOM 268 CA THR 260 16.705 37.307 21.953 1.00 1.00 ATOM 269 CA MET 261 16.554 34.860 24.899 1.00 1.00 ATOM 270 CA LYS 262 20.093 34.336 26.171 1.00 1.00 ATOM 271 CA PRO 263 21.065 37.984 26.537 1.00 1.00 ATOM 272 CA GLY 264 19.512 40.774 28.588 1.00 1.00 ATOM 281 CA ASP 265 14.110 51.456 31.716 1.00 1.00 ATOM 282 CA TRP 266 10.992 50.076 30.057 1.00 1.00 ATOM 283 CA SER 267 11.399 52.013 26.819 1.00 1.00 ATOM 284 CA GLU 268 12.280 49.904 23.786 1.00 1.00 ATOM 285 CA THR 269 15.184 51.203 21.744 1.00 1.00 ATOM 286 CA PRO 270 17.168 53.089 24.383 1.00 1.00 ATOM 287 CA ASP 271 19.950 50.503 24.049 1.00 1.00 ATOM 288 CA LEU 272 21.262 49.942 20.500 1.00 1.00 ATOM 289 CA GLY 273 21.197 46.173 21.108 1.00 1.00 ATOM 290 CA GLY 274 17.430 46.248 21.569 1.00 1.00 ATOM 291 CA LEU 275 16.822 46.450 17.829 1.00 1.00 ATOM 292 CA GLU 276 20.154 45.324 16.346 1.00 1.00 ATOM 293 CA SER 277 20.262 41.933 18.111 1.00 1.00 ATOM 294 CA VAL 278 16.885 41.153 16.579 1.00 1.00 ATOM 295 CA MET 279 17.690 42.228 12.992 1.00 1.00 ATOM 296 CA LYS 280 20.978 40.296 13.129 1.00 1.00 ATOM 297 CA LYS 281 18.887 37.135 13.499 1.00 1.00 ATOM 298 CA ALA 282 16.125 38.084 11.035 1.00 1.00 ATOM 299 CA LYS 283 18.368 39.167 8.141 1.00 1.00 ATOM 300 CA THR 284 20.121 35.806 8.389 1.00 1.00 ATOM 301 CA MET 285 17.279 33.324 9.127 1.00 1.00 ATOM 302 CA LEU 286 13.936 35.001 8.306 1.00 1.00 ATOM 303 CA PRO 287 14.845 37.715 5.748 1.00 1.00 ATOM 304 CA ALA 288 11.281 38.457 4.714 1.00 1.00 ATOM 305 CA GLN 290 10.349 39.414 8.284 1.00 1.00 ATOM 306 CA ASN 291 12.952 42.185 8.682 1.00 1.00 ATOM 307 CA MET 292 10.861 45.190 7.717 1.00 1.00 ATOM 308 CA LYS 293 9.981 48.317 9.643 1.00 1.00 ATOM 309 CA VAL 294 9.765 48.082 13.442 1.00 1.00 ATOM 310 CA ASP 295 6.042 48.271 14.223 1.00 1.00 ATOM 311 CA ARG 296 6.194 47.850 17.988 1.00 1.00 ATOM 312 CA PHE 297 8.555 47.114 20.851 1.00 1.00 ATOM 313 CA TRP 298 8.081 45.979 24.447 1.00 1.00 ATOM 314 CA ALA 299 10.342 45.644 27.497 1.00 1.00 ATOM 315 CA GLY 300 9.729 42.957 30.053 1.00 1.00 ATOM 316 CA LEU 301 11.627 41.021 32.752 1.00 1.00 ATOM 317 CA ARG 302 12.973 37.497 33.403 1.00 1.00 ATOM 318 CA PRO 303 13.942 36.492 36.967 1.00 1.00 ATOM 319 CA GLY 304 16.680 33.848 36.869 1.00 1.00 ATOM 320 CA THR 305 17.797 31.273 39.381 1.00 1.00 ATOM 321 CA LYS 306 21.351 29.884 39.140 1.00 1.00 ATOM 322 CA ASP 307 20.207 26.676 37.427 1.00 1.00 ATOM 323 CA GLY 308 17.374 28.378 35.530 1.00 1.00 ATOM 324 CA LYS 309 14.784 26.019 37.008 1.00 1.00 ATOM 325 CA PRO 310 11.810 27.395 38.920 1.00 1.00 ATOM 326 CA TYR 311 11.209 27.602 42.649 1.00 1.00 ATOM 327 CA ILE 312 7.826 26.191 43.663 1.00 1.00 ATOM 328 CA GLY 313 7.721 24.982 47.249 1.00 1.00 ATOM 329 CA ARG 314 6.691 25.682 50.821 1.00 1.00 ATOM 330 CA HIS 315 8.823 28.180 52.753 1.00 1.00 ATOM 331 CA PRO 316 11.426 26.020 54.572 1.00 1.00 ATOM 332 CA GLU 317 10.472 27.494 57.977 1.00 1.00 ATOM 333 CA ASP 318 6.752 28.085 57.354 1.00 1.00 ATOM 334 CA SER 319 4.502 25.375 55.950 1.00 1.00 ATOM 335 CA ARG 320 1.771 28.020 55.733 1.00 1.00 ATOM 336 CA ILE 321 3.745 30.061 53.185 1.00 1.00 ATOM 337 CA LEU 322 4.105 29.035 49.521 1.00 1.00 ATOM 338 CA PHE 323 6.800 30.456 47.233 1.00 1.00 ATOM 339 CA ALA 324 6.620 30.742 43.422 1.00 1.00 ATOM 340 CA ALA 325 9.745 32.342 41.999 1.00 1.00 ATOM 341 CA GLY 326 12.595 32.400 39.520 1.00 1.00 ATOM 342 CA HIS 327 10.728 31.372 36.402 1.00 1.00 ATOM 343 CA PHE 328 13.842 32.318 34.490 1.00 1.00 ATOM 344 CA ARG 329 12.163 33.499 31.338 1.00 1.00 ATOM 345 CA ASN 330 10.194 30.356 30.470 1.00 1.00 ATOM 346 CA GLY 331 7.417 30.003 33.006 1.00 1.00 ATOM 347 CA ILE 332 4.309 31.518 31.451 1.00 1.00 ATOM 348 CA LEU 333 3.297 28.372 29.569 1.00 1.00 ATOM 349 CA LEU 334 3.182 26.583 32.936 1.00 1.00 ATOM 350 CA ALA 335 1.240 29.262 34.848 1.00 1.00 ATOM 351 CA PRO 336 -2.068 27.405 34.541 1.00 1.00 ATOM 352 CA ALA 337 -0.445 24.279 35.980 1.00 1.00 ATOM 353 CA THR 338 1.463 26.265 38.609 1.00 1.00 ATOM 354 CA GLY 339 -1.756 27.909 39.752 1.00 1.00 ATOM 355 CA ALA 340 -3.054 24.403 40.427 1.00 1.00 ATOM 356 CA LEU 341 0.136 23.416 42.284 1.00 1.00 ATOM 357 CA ILE 342 0.108 26.561 44.429 1.00 1.00 ATOM 358 CA SER 343 -3.530 26.021 45.324 1.00 1.00 ATOM 359 CA ASP 344 -2.772 22.473 46.437 1.00 1.00 ATOM 360 CA LEU 345 0.324 23.490 48.401 1.00 1.00 ATOM 361 CA ILE 346 -1.555 26.270 50.208 1.00 1.00 ATOM 362 CA MET 347 -4.566 24.103 51.058 1.00 1.00 ATOM 363 CA ASN 348 -2.874 20.792 51.859 1.00 1.00 ATOM 364 CA LYS 349 0.849 21.405 52.172 1.00 1.00 ATOM 365 CA GLU 350 1.339 18.926 49.328 1.00 1.00 ATOM 366 CA VAL 351 0.591 18.556 45.625 1.00 1.00 ATOM 367 CA ASN 352 -0.202 15.623 43.334 1.00 1.00 ATOM 368 CA GLN 353 2.399 16.947 40.861 1.00 1.00 ATOM 369 CA ASP 354 6.058 15.929 41.105 1.00 1.00 ATOM 370 CA LEU 356 7.712 19.266 41.841 1.00 1.00 ATOM 371 CA HIS 357 10.991 17.985 43.272 1.00 1.00 ATOM 372 CA ALA 358 13.023 19.659 40.513 1.00 1.00 ATOM 373 CA PHE 359 11.705 23.018 41.772 1.00 1.00 ATOM 374 CA ARG 360 12.636 22.410 45.427 1.00 1.00 ATOM 375 CA ILE 361 13.629 25.527 47.362 1.00 1.00 ATOM 376 CA ASP 362 16.166 23.307 49.188 1.00 1.00 ATOM 377 CA ARG 363 18.093 22.071 46.144 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:11:08 2002 Date: Sun, 18 Aug 2002 08:11:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:43:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_581683_26797 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS007_3 Current information on models submitted in prediction T0163TS007 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 casp5@bialko.llnl.gov T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1EL7_B # Loading PARENT structure: 1el7 (chain: B) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 354 # Total number of atoms in model: 354 # Number of atoms with 1.0 occupancy: 354 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 354 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1EL7_B ATOM 1 CA LYS 2 59.737 36.434 -18.720 1.00 1.00 ATOM 2 CA ARG 3 61.472 34.912 -15.685 1.00 1.00 ATOM 3 CA HIS 4 61.004 31.240 -14.900 1.00 1.00 ATOM 4 CA TYR 5 60.707 29.619 -11.502 1.00 1.00 ATOM 5 CA GLU 6 60.110 26.061 -10.342 1.00 1.00 ATOM 6 CA ALA 7 57.228 27.154 -8.123 1.00 1.00 ATOM 7 CA VAL 8 55.270 30.381 -7.685 1.00 1.00 ATOM 8 CA VAL 9 53.393 31.059 -4.449 1.00 1.00 ATOM 9 CA ILE 10 50.687 33.728 -4.729 1.00 1.00 ATOM 10 CA GLY 11 49.917 35.103 -1.290 1.00 1.00 ATOM 11 CA GLY 12 52.941 34.950 0.992 1.00 1.00 ATOM 12 CA GLY 13 51.134 34.969 4.308 1.00 1.00 ATOM 13 CA ILE 14 50.640 32.292 6.954 1.00 1.00 ATOM 14 CA ILE 15 50.356 29.385 4.518 1.00 1.00 ATOM 15 CA GLY 16 52.327 30.788 1.608 1.00 1.00 ATOM 16 CA SER 17 55.470 31.766 3.491 1.00 1.00 ATOM 17 CA ALA 18 55.559 28.396 5.251 1.00 1.00 ATOM 18 CA ILE 19 55.307 26.701 1.840 1.00 1.00 ATOM 19 CA ALA 20 58.039 28.983 0.504 1.00 1.00 ATOM 20 CA TYR 21 60.335 27.975 3.355 1.00 1.00 ATOM 21 CA TYR 22 59.660 24.262 2.809 1.00 1.00 ATOM 22 CA LEU 23 60.336 24.594 -0.939 1.00 1.00 ATOM 23 CA ALA 24 63.423 26.788 -0.617 1.00 1.00 ATOM 24 CA LYS 25 64.897 24.418 1.962 1.00 1.00 ATOM 25 CA GLU 26 64.851 21.722 -0.730 1.00 1.00 ATOM 26 CA ASN 27 66.602 23.813 -3.359 1.00 1.00 ATOM 27 CA LYS 28 63.375 24.464 -5.280 1.00 1.00 ATOM 28 CA ASN 29 63.657 27.825 -7.107 1.00 1.00 ATOM 29 CA THR 30 60.709 29.723 -5.649 1.00 1.00 ATOM 30 CA ALA 31 58.947 33.044 -6.186 1.00 1.00 ATOM 31 CA LEU 32 56.556 34.348 -3.521 1.00 1.00 ATOM 32 CA PHE 33 54.266 37.190 -4.523 1.00 1.00 ATOM 33 CA GLU 34 52.339 39.292 -2.022 1.00 1.00 ATOM 34 CA SER 35 50.000 42.278 -2.285 1.00 1.00 ATOM 35 CA GLY 36 51.740 43.795 0.739 1.00 1.00 ATOM 36 CA THR 37 54.993 43.181 2.682 1.00 1.00 ATOM 38 CA MET 38 54.163 40.035 7.884 1.00 1.00 ATOM 39 CA GLY 39 51.673 42.930 7.716 1.00 1.00 ATOM 40 CA GLY 40 48.382 44.116 9.217 1.00 1.00 ATOM 41 CA ARG 41 46.079 43.852 6.214 1.00 1.00 ATOM 42 CA THR 42 45.547 40.100 6.284 1.00 1.00 ATOM 43 CA THR 43 44.749 37.402 8.826 1.00 1.00 ATOM 44 CA SER 44 48.062 37.008 10.663 1.00 1.00 ATOM 45 CA ALA 45 48.607 40.060 12.821 1.00 1.00 ATOM 46 CA ALA 46 47.621 40.841 16.385 1.00 1.00 ATOM 47 CA ALA 47 50.879 39.258 17.554 1.00 1.00 ATOM 48 CA GLY 48 49.647 35.933 18.963 1.00 1.00 ATOM 49 CA MET 49 47.838 32.770 17.957 1.00 1.00 ATOM 50 CA LEU 50 46.691 29.811 20.011 1.00 1.00 ATOM 51 CA GLY 51 47.773 26.293 19.058 1.00 1.00 ATOM 52 CA ALA 52 45.735 23.439 20.523 1.00 1.00 ATOM 53 CA HIS 53 46.208 19.698 19.995 1.00 1.00 ATOM 54 CA ALA 54 43.014 18.131 21.377 1.00 1.00 ATOM 55 CA GLU 55 40.731 19.748 18.806 1.00 1.00 ATOM 56 CA CYS 56 37.128 20.735 19.485 1.00 1.00 ATOM 57 CA GLU 57 36.459 21.491 15.804 1.00 1.00 ATOM 58 CA ARG 59 37.096 17.824 15.118 1.00 1.00 ATOM 59 CA ASP 60 39.407 15.061 16.323 1.00 1.00 ATOM 60 CA ALA 61 40.506 14.486 12.704 1.00 1.00 ATOM 61 CA PHE 62 42.705 17.622 12.969 1.00 1.00 ATOM 62 CA PHE 63 44.874 16.158 15.744 1.00 1.00 ATOM 63 CA ASP 64 47.572 14.592 13.513 1.00 1.00 ATOM 64 CA PHE 65 48.149 17.863 11.616 1.00 1.00 ATOM 65 CA ALA 66 48.149 19.783 14.901 1.00 1.00 ATOM 66 CA MET 67 50.831 17.495 16.349 1.00 1.00 ATOM 67 CA HIS 68 52.962 17.649 13.215 1.00 1.00 ATOM 68 CA SER 69 52.595 21.431 13.177 1.00 1.00 ATOM 69 CA GLN 70 53.682 21.635 16.815 1.00 1.00 ATOM 70 CA ARG 71 56.820 19.600 15.870 1.00 1.00 ATOM 71 CA LEU 72 57.570 22.040 13.081 1.00 1.00 ATOM 72 CA TYR 73 57.097 25.052 15.353 1.00 1.00 ATOM 73 CA LYS 74 59.642 23.583 17.762 1.00 1.00 ATOM 74 CA GLY 75 61.952 23.160 14.779 1.00 1.00 ATOM 75 CA LEU 76 61.453 26.750 13.678 1.00 1.00 ATOM 76 CA GLY 77 62.235 27.956 17.201 1.00 1.00 ATOM 77 CA GLU 78 65.669 26.364 16.973 1.00 1.00 ATOM 78 CA GLU 79 66.393 27.830 13.539 1.00 1.00 ATOM 79 CA LEU 80 65.751 31.538 14.108 1.00 1.00 ATOM 80 CA GLY 85 66.509 34.264 16.643 1.00 1.00 ATOM 81 CA VAL 86 62.818 35.302 16.517 1.00 1.00 ATOM 82 CA ASP 87 60.587 34.037 19.330 1.00 1.00 ATOM 83 CA ILE 88 58.201 31.378 18.030 1.00 1.00 ATOM 84 CA GLN 90 56.325 29.550 20.813 1.00 1.00 ATOM 85 CA HIS 91 55.540 29.832 24.527 1.00 1.00 ATOM 86 CA ASN 92 54.000 26.802 26.280 1.00 1.00 ATOM 87 CA GLY 93 51.173 28.535 28.157 1.00 1.00 ATOM 88 CA GLY 94 48.947 25.489 27.938 1.00 1.00 ATOM 89 CA MET 95 45.362 25.961 26.754 1.00 1.00 ATOM 90 CA PHE 96 42.210 25.814 28.826 1.00 1.00 ATOM 91 CA LYS 97 38.898 24.808 27.266 1.00 1.00 ATOM 92 CA LEU 98 35.695 25.107 29.299 1.00 1.00 ATOM 93 CA ALA 99 31.942 25.417 28.999 1.00 1.00 ATOM 94 CA PHE 100 28.597 24.461 30.561 1.00 1.00 ATOM 95 CA SER 101 28.628 20.746 31.408 1.00 1.00 ATOM 96 CA GLU 102 26.674 18.796 28.794 1.00 1.00 ATOM 97 CA GLU 103 26.087 21.932 26.759 1.00 1.00 ATOM 98 CA ASP 104 29.150 22.300 24.573 1.00 1.00 ATOM 99 CA VAL 105 29.838 20.230 21.468 1.00 1.00 ATOM 100 CA LEU 106 33.207 21.995 21.318 1.00 1.00 ATOM 101 CA GLN 107 34.212 20.985 24.862 1.00 1.00 ATOM 102 CA LEU 108 32.905 17.447 24.349 1.00 1.00 ATOM 103 CA ARG 109 34.811 16.907 21.089 1.00 1.00 ATOM 104 CA GLN 110 37.961 18.377 22.668 1.00 1.00 ATOM 109 CA MET 111 41.046 10.425 24.643 1.00 1.00 ATOM 110 CA ASP 112 41.245 9.171 21.067 1.00 1.00 ATOM 111 CA ASP 113 44.839 10.324 20.552 1.00 1.00 ATOM 112 CA LEU 114 45.951 9.724 24.148 1.00 1.00 ATOM 113 CA ASP 115 46.911 13.363 24.719 1.00 1.00 ATOM 114 CA SER 116 48.034 14.607 28.141 1.00 1.00 ATOM 115 CA VAL 117 45.222 16.702 29.665 1.00 1.00 ATOM 116 CA SER 118 43.690 17.615 33.046 1.00 1.00 ATOM 117 CA TRP 119 39.931 17.415 33.552 1.00 1.00 ATOM 118 CA TYR 120 38.355 19.686 36.127 1.00 1.00 ATOM 119 CA SER 121 35.055 21.374 36.855 1.00 1.00 ATOM 120 CA LYS 122 33.252 24.011 38.833 1.00 1.00 ATOM 121 CA GLU 123 35.164 25.629 41.667 1.00 1.00 ATOM 122 CA GLU 124 38.295 23.616 40.778 1.00 1.00 ATOM 123 CA VAL 125 38.728 25.841 37.717 1.00 1.00 ATOM 124 CA LEU 126 38.411 29.043 39.754 1.00 1.00 ATOM 125 CA GLU 127 40.786 27.661 42.396 1.00 1.00 ATOM 126 CA LYS 128 43.503 26.518 40.017 1.00 1.00 ATOM 127 CA GLU 129 43.505 29.783 38.078 1.00 1.00 ATOM 128 CA PRO 130 42.717 32.768 40.304 1.00 1.00 ATOM 129 CA TYR 131 41.152 35.322 37.970 1.00 1.00 ATOM 130 CA ALA 132 38.725 32.929 36.292 1.00 1.00 ATOM 131 CA SER 133 35.161 32.795 37.610 1.00 1.00 ATOM 133 CA GLY 134 29.555 28.858 37.313 1.00 1.00 ATOM 134 CA ASP 135 29.718 25.557 39.215 1.00 1.00 ATOM 135 CA ILE 136 28.022 23.666 36.371 1.00 1.00 ATOM 136 CA PHE 137 30.956 24.326 34.019 1.00 1.00 ATOM 137 CA GLY 138 33.562 21.671 33.256 1.00 1.00 ATOM 138 CA ALA 139 36.913 21.955 31.546 1.00 1.00 ATOM 139 CA SER 140 39.785 20.228 29.842 1.00 1.00 ATOM 140 CA PHE 141 43.240 21.777 30.216 1.00 1.00 ATOM 141 CA ILE 142 46.045 20.969 27.782 1.00 1.00 ATOM 142 CA GLN 143 49.442 21.714 29.412 1.00 1.00 ATOM 143 CA ASP 144 51.633 21.226 26.368 1.00 1.00 ATOM 144 CA ASP 145 49.672 23.452 23.982 1.00 1.00 ATOM 145 CA VAL 146 50.341 27.153 23.782 1.00 1.00 ATOM 146 CA HIS 147 50.852 30.414 21.982 1.00 1.00 ATOM 147 CA VAL 148 52.565 31.140 18.702 1.00 1.00 ATOM 148 CA GLU 149 53.913 34.583 17.833 1.00 1.00 ATOM 149 CA PRO 150 52.440 34.612 14.319 1.00 1.00 ATOM 150 CA TYR 151 54.120 37.690 12.861 1.00 1.00 ATOM 151 CA PHE 152 57.450 36.315 14.103 1.00 1.00 ATOM 152 CA VAL 153 56.713 32.952 12.478 1.00 1.00 ATOM 153 CA CYS 154 56.088 34.475 9.058 1.00 1.00 ATOM 154 CA LYS 155 59.055 36.813 9.443 1.00 1.00 ATOM 155 CA ALA 156 61.298 33.850 10.355 1.00 1.00 ATOM 156 CA TYR 157 60.031 31.637 7.531 1.00 1.00 ATOM 157 CA VAL 158 60.593 34.512 5.098 1.00 1.00 ATOM 158 CA LYS 159 64.137 35.275 6.266 1.00 1.00 ATOM 159 CA ALA 160 65.082 31.592 6.163 1.00 1.00 ATOM 160 CA ALA 161 63.492 31.080 2.747 1.00 1.00 ATOM 161 CA LYS 162 65.182 34.133 1.218 1.00 1.00 ATOM 162 CA MET 163 68.534 33.115 2.723 1.00 1.00 ATOM 163 CA LEU 164 68.107 29.930 0.685 1.00 1.00 ATOM 164 CA GLY 165 67.302 31.657 -2.599 1.00 1.00 ATOM 165 CA ALA 166 63.543 32.230 -2.500 1.00 1.00 ATOM 166 CA GLU 167 62.542 35.531 -4.067 1.00 1.00 ATOM 167 CA ILE 168 59.744 37.590 -2.525 1.00 1.00 ATOM 168 CA PHE 169 57.930 40.163 -4.651 1.00 1.00 ATOM 169 CA GLU 170 56.067 42.574 -2.374 1.00 1.00 ATOM 170 CA HIS 171 53.295 45.140 -2.881 1.00 1.00 ATOM 171 CA THR 172 52.331 43.171 -5.977 1.00 1.00 ATOM 172 CA PRO 173 48.765 42.082 -6.439 1.00 1.00 ATOM 173 CA VAL 174 48.265 39.115 -8.761 1.00 1.00 ATOM 174 CA LEU 175 45.206 39.887 -10.876 1.00 1.00 ATOM 175 CA HIS 176 44.878 36.914 -13.222 1.00 1.00 ATOM 176 CA VAL 177 46.267 33.455 -13.987 1.00 1.00 ATOM 177 CA GLU 178 47.035 31.489 -17.143 1.00 1.00 ATOM 178 CA ARG 179 47.229 27.757 -16.556 1.00 1.00 ATOM 179 CA ASP 180 48.410 25.223 -19.123 1.00 1.00 ATOM 180 CA GLY 181 48.973 21.460 -18.828 1.00 1.00 ATOM 181 CA GLU 182 52.728 21.994 -18.437 1.00 1.00 ATOM 182 CA ALA 183 53.131 25.442 -16.873 1.00 1.00 ATOM 183 CA LEU 184 51.509 28.255 -14.931 1.00 1.00 ATOM 184 CA PHE 185 51.663 32.017 -15.362 1.00 1.00 ATOM 185 CA ILE 186 50.706 35.144 -13.498 1.00 1.00 ATOM 186 CA LYS 187 50.593 38.776 -14.604 1.00 1.00 ATOM 187 CA THR 188 52.209 41.707 -12.789 1.00 1.00 ATOM 188 CA PRO 189 53.135 45.341 -13.466 1.00 1.00 ATOM 189 CA SER 190 56.904 44.778 -13.458 1.00 1.00 ATOM 190 CA GLY 191 56.832 41.557 -15.491 1.00 1.00 ATOM 191 CA ASP 192 55.163 38.209 -16.099 1.00 1.00 ATOM 192 CA VAL 193 56.158 35.152 -14.152 1.00 1.00 ATOM 193 CA TRP 194 56.018 31.492 -15.080 1.00 1.00 ATOM 194 CA ALA 195 56.760 28.242 -13.295 1.00 1.00 ATOM 195 CA ASN 196 55.969 24.526 -13.294 1.00 1.00 ATOM 196 CA HIS 197 53.700 24.652 -10.265 1.00 1.00 ATOM 197 CA VAL 198 51.436 27.196 -8.582 1.00 1.00 ATOM 198 CA VAL 199 50.392 27.440 -4.928 1.00 1.00 ATOM 199 CA VAL 200 47.423 29.740 -4.256 1.00 1.00 ATOM 200 CA ALA 201 47.069 31.014 -0.675 1.00 1.00 ATOM 201 CA SER 202 45.616 34.528 -0.764 1.00 1.00 ATOM 202 CA GLY 203 43.727 34.392 2.526 1.00 1.00 ATOM 203 CA VAL 204 40.643 36.625 2.548 1.00 1.00 ATOM 204 CA TRP 205 41.271 37.472 -1.099 1.00 1.00 ATOM 205 CA SER 206 40.673 33.842 -2.125 1.00 1.00 ATOM 206 CA GLY 207 37.008 34.849 -1.864 1.00 1.00 ATOM 207 CA MET 208 37.497 37.348 -4.706 1.00 1.00 ATOM 208 CA PHE 209 40.198 35.869 -6.937 1.00 1.00 ATOM 209 CA PHE 210 39.614 32.099 -7.123 1.00 1.00 ATOM 210 CA LYS 211 37.051 32.825 -9.838 1.00 1.00 ATOM 211 CA GLN 212 40.107 33.635 -11.996 1.00 1.00 ATOM 212 CA LEU 213 40.912 29.920 -11.753 1.00 1.00 ATOM 213 CA GLY 214 37.402 28.902 -12.770 1.00 1.00 ATOM 214 CA LEU 215 36.503 28.062 -9.177 1.00 1.00 ATOM 215 CA ASN 216 33.166 28.888 -7.584 1.00 1.00 ATOM 216 CA ASN 217 33.435 28.172 -3.854 1.00 1.00 ATOM 217 CA ALA 218 31.474 29.811 -1.038 1.00 1.00 ATOM 218 CA PHE 219 34.053 31.713 1.027 1.00 1.00 ATOM 219 CA LEU 220 32.933 34.520 3.321 1.00 1.00 ATOM 220 CA PRO 221 35.409 36.999 4.833 1.00 1.00 ATOM 221 CA VAL 222 34.626 38.217 8.351 1.00 1.00 ATOM 222 CA LYS 223 35.940 41.221 10.298 1.00 1.00 ATOM 223 CA GLY 224 37.245 39.893 13.628 1.00 1.00 ATOM 224 CA GLU 225 38.658 42.106 16.328 1.00 1.00 ATOM 225 CA CYS 226 40.768 41.507 19.416 1.00 1.00 ATOM 226 CA LEU 227 41.492 43.742 22.389 1.00 1.00 ATOM 227 CA SER 228 44.321 43.933 24.929 1.00 1.00 ATOM 228 CA VAL 229 43.206 44.985 28.414 1.00 1.00 ATOM 229 CA TRP 230 45.062 46.276 31.477 1.00 1.00 ATOM 230 CA ASN 231 44.880 43.355 33.908 1.00 1.00 ATOM 231 CA ASP 232 45.805 42.229 37.408 1.00 1.00 ATOM 232 CA ASP 233 49.266 40.863 36.578 1.00 1.00 ATOM 242 CA ILE 234 46.671 29.927 30.360 1.00 1.00 ATOM 243 CA PRO 235 45.679 30.628 26.807 1.00 1.00 ATOM 244 CA LEU 236 42.024 29.681 26.341 1.00 1.00 ATOM 245 CA THR 237 39.138 28.984 24.002 1.00 1.00 ATOM 246 CA LYS 238 35.794 28.595 25.689 1.00 1.00 ATOM 247 CA THR 239 32.081 28.326 25.029 1.00 1.00 ATOM 248 CA LEU 240 29.434 30.308 26.889 1.00 1.00 ATOM 249 CA TYR 241 25.698 30.705 26.100 1.00 1.00 ATOM 250 CA HIS 242 26.278 33.483 23.566 1.00 1.00 ATOM 251 CA ASP 243 29.275 32.001 21.777 1.00 1.00 ATOM 252 CA HIS 244 32.945 31.112 21.766 1.00 1.00 ATOM 253 CA CYS 245 35.715 33.401 23.041 1.00 1.00 ATOM 254 CA TYR 246 39.485 32.913 23.023 1.00 1.00 ATOM 255 CA ILE 247 42.262 34.724 24.806 1.00 1.00 ATOM 256 CA VAL 248 45.862 34.921 25.914 1.00 1.00 ATOM 257 CA PRO 249 47.629 35.603 29.211 1.00 1.00 ATOM 258 CA ARG 250 49.415 38.947 29.579 1.00 1.00 ATOM 259 CA LYS 251 52.959 38.731 28.197 1.00 1.00 ATOM 260 CA SER 252 55.486 41.145 29.683 1.00 1.00 ATOM 261 CA GLY 253 52.601 43.166 31.104 1.00 1.00 ATOM 262 CA ARG 254 51.029 43.992 27.749 1.00 1.00 ATOM 263 CA LEU 255 47.642 42.815 29.023 1.00 1.00 ATOM 264 CA VAL 256 45.239 39.914 28.613 1.00 1.00 ATOM 265 CA VAL 257 44.109 39.618 24.989 1.00 1.00 ATOM 266 CA GLY 258 40.574 38.540 24.122 1.00 1.00 ATOM 267 CA ALA 259 38.569 37.833 20.980 1.00 1.00 ATOM 268 CA THR 260 34.919 36.905 20.294 1.00 1.00 ATOM 269 CA MET 261 35.089 33.981 17.842 1.00 1.00 ATOM 270 CA LYS 262 31.547 33.219 16.699 1.00 1.00 ATOM 271 CA PRO 263 30.551 36.736 15.681 1.00 1.00 ATOM 272 CA GLY 264 32.072 39.099 13.132 1.00 1.00 ATOM 281 CA ASP 265 37.409 49.083 8.132 1.00 1.00 ATOM 282 CA TRP 266 40.554 48.045 9.999 1.00 1.00 ATOM 283 CA SER 267 40.140 50.528 12.837 1.00 1.00 ATOM 284 CA GLU 268 39.269 49.001 16.207 1.00 1.00 ATOM 285 CA THR 269 36.363 50.630 17.987 1.00 1.00 ATOM 286 CA PRO 270 34.369 52.018 15.059 1.00 1.00 ATOM 287 CA ASP 271 31.607 49.498 15.854 1.00 1.00 ATOM 288 CA LEU 272 30.291 49.607 19.430 1.00 1.00 ATOM 289 CA GLY 273 30.376 45.791 19.536 1.00 1.00 ATOM 290 CA GLY 274 34.158 45.780 19.068 1.00 1.00 ATOM 291 CA LEU 275 34.756 46.675 22.700 1.00 1.00 ATOM 292 CA GLU 276 31.435 45.820 24.361 1.00 1.00 ATOM 293 CA SER 277 31.336 42.178 23.243 1.00 1.00 ATOM 294 CA VAL 278 34.732 41.679 24.889 1.00 1.00 ATOM 295 CA MET 279 33.931 43.388 28.217 1.00 1.00 ATOM 296 CA LYS 280 30.650 41.447 28.451 1.00 1.00 ATOM 297 CA LYS 281 32.772 38.288 28.647 1.00 1.00 ATOM 298 CA ALA 282 35.530 39.665 30.897 1.00 1.00 ATOM 299 CA LYS 283 33.271 41.253 33.540 1.00 1.00 ATOM 300 CA THR 284 31.534 37.897 33.918 1.00 1.00 ATOM 301 CA MET 285 34.394 35.346 33.645 1.00 1.00 ATOM 302 CA LEU 286 37.734 37.158 34.136 1.00 1.00 ATOM 303 CA PRO 287 36.801 40.290 36.144 1.00 1.00 ATOM 304 CA ALA 288 40.374 41.217 37.021 1.00 1.00 ATOM 305 CA GLN 290 41.274 41.527 33.345 1.00 1.00 ATOM 306 CA ASN 291 38.661 44.155 32.459 1.00 1.00 ATOM 307 CA MET 292 40.745 47.294 32.841 1.00 1.00 ATOM 308 CA LYS 293 41.617 50.020 30.374 1.00 1.00 ATOM 309 CA VAL 294 41.822 49.118 26.697 1.00 1.00 ATOM 310 CA ASP 295 45.539 49.169 25.874 1.00 1.00 ATOM 311 CA ARG 296 45.384 48.061 22.242 1.00 1.00 ATOM 312 CA PHE 297 43.019 46.831 19.561 1.00 1.00 ATOM 313 CA TRP 298 43.498 45.063 16.240 1.00 1.00 ATOM 314 CA ALA 299 41.222 44.147 13.323 1.00 1.00 ATOM 315 CA GLY 300 41.856 41.049 11.281 1.00 1.00 ATOM 316 CA LEU 301 39.950 38.643 8.998 1.00 1.00 ATOM 317 CA ARG 302 38.628 35.056 8.993 1.00 1.00 ATOM 318 CA PRO 303 37.670 33.398 5.683 1.00 1.00 ATOM 319 CA GLY 304 34.944 30.828 6.260 1.00 1.00 ATOM 320 CA THR 305 33.839 27.809 4.259 1.00 1.00 ATOM 321 CA LYS 306 30.299 26.471 4.764 1.00 1.00 ATOM 322 CA ASP 307 31.465 23.633 7.025 1.00 1.00 ATOM 323 CA GLY 308 34.288 25.656 8.583 1.00 1.00 ATOM 324 CA LYS 309 36.890 23.097 7.541 1.00 1.00 ATOM 325 CA PRO 310 39.867 24.113 5.415 1.00 1.00 ATOM 326 CA TYR 311 40.455 23.653 1.713 1.00 1.00 ATOM 327 CA ILE 312 43.839 22.097 0.959 1.00 1.00 ATOM 328 CA GLY 313 43.952 20.243 -2.336 1.00 1.00 ATOM 329 CA ARG 314 44.991 20.288 -5.973 1.00 1.00 ATOM 330 CA HIS 315 42.821 22.365 -8.321 1.00 1.00 ATOM 331 CA PRO 316 40.237 19.903 -9.716 1.00 1.00 ATOM 332 CA GLU 317 41.178 20.723 -13.335 1.00 1.00 ATOM 333 CA ASP 318 44.902 21.420 -12.833 1.00 1.00 ATOM 334 CA SER 319 47.184 19.037 -10.973 1.00 1.00 ATOM 335 CA ARG 320 49.895 21.690 -11.242 1.00 1.00 ATOM 336 CA ILE 321 47.921 24.159 -9.099 1.00 1.00 ATOM 337 CA LEU 322 47.551 23.828 -5.315 1.00 1.00 ATOM 338 CA PHE 323 44.843 25.631 -3.333 1.00 1.00 ATOM 339 CA ALA 324 45.024 26.598 0.355 1.00 1.00 ATOM 340 CA ALA 325 41.895 28.450 1.471 1.00 1.00 ATOM 341 CA GLY 326 39.022 28.932 3.907 1.00 1.00 ATOM 342 CA HIS 327 40.903 28.488 7.159 1.00 1.00 ATOM 343 CA PHE 328 37.785 29.789 8.851 1.00 1.00 ATOM 344 CA ARG 329 39.488 31.522 11.748 1.00 1.00 ATOM 345 CA ASN 330 41.470 28.581 13.176 1.00 1.00 ATOM 346 CA GLY 331 44.220 27.821 10.703 1.00 1.00 ATOM 347 CA ILE 332 47.324 29.608 11.966 1.00 1.00 ATOM 348 CA LEU 333 48.361 26.857 14.375 1.00 1.00 ATOM 349 CA LEU 334 48.504 24.477 11.388 1.00 1.00 ATOM 350 CA ALA 335 50.415 26.791 9.026 1.00 1.00 ATOM 351 CA PRO 336 53.733 25.036 9.659 1.00 1.00 ATOM 352 CA ALA 337 52.111 21.687 8.820 1.00 1.00 ATOM 353 CA THR 338 50.199 23.156 5.877 1.00 1.00 ATOM 354 CA GLY 339 53.420 24.563 4.459 1.00 1.00 ATOM 355 CA ALA 340 54.766 21.011 4.436 1.00 1.00 ATOM 356 CA LEU 341 51.585 19.666 2.805 1.00 1.00 ATOM 357 CA ILE 342 51.567 22.362 0.127 1.00 1.00 ATOM 358 CA SER 343 55.208 21.701 -0.683 1.00 1.00 ATOM 359 CA ASP 344 54.476 17.977 -1.082 1.00 1.00 ATOM 360 CA LEU 345 51.378 18.599 -3.214 1.00 1.00 ATOM 361 CA ILE 346 53.233 21.021 -5.493 1.00 1.00 ATOM 362 CA MET 347 56.252 18.755 -5.941 1.00 1.00 ATOM 363 CA ASN 348 54.576 15.338 -6.129 1.00 1.00 ATOM 364 CA LYS 349 50.850 15.852 -6.531 1.00 1.00 ATOM 365 CA GLU 350 50.410 13.956 -3.269 1.00 1.00 ATOM 366 CA VAL 351 51.127 14.283 0.439 1.00 1.00 ATOM 367 CA ASN 352 51.949 11.831 3.220 1.00 1.00 ATOM 368 CA GLN 353 49.340 13.526 5.415 1.00 1.00 ATOM 369 CA ASP 354 45.698 12.473 5.332 1.00 1.00 ATOM 370 CA LEU 356 44.035 15.615 4.016 1.00 1.00 ATOM 371 CA HIS 357 40.747 14.087 2.860 1.00 1.00 ATOM 372 CA ALA 358 38.736 16.216 5.292 1.00 1.00 ATOM 373 CA PHE 359 40.011 19.287 3.412 1.00 1.00 ATOM 374 CA ARG 360 39.070 18.009 -0.064 1.00 1.00 ATOM 375 CA ILE 361 38.024 20.694 -2.539 1.00 1.00 ATOM 376 CA ASP 362 35.515 18.155 -3.908 1.00 1.00 ATOM 377 CA ARG 363 33.623 17.500 -0.662 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:16:08 2002 Date: Sun, 18 Aug 2002 08:16:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:47:55 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_626598_26812 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS007_4 Current information on models submitted in prediction T0163TS007 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_4 PIN_626598_26812 6269-7633-6117 08/18/02 07:47:55 casp5@bialko.llnl.gov T0163TS007_2 PIN_611692_26806 6269-7633-6117 08/18/02 07:46:06 casp5@bialko.llnl.gov T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_1 PIN_602089_26803 6269-7633-6117 08/18/02 07:45:09 casp5@bialko.llnl.gov T0163TS007_2 PIN_611692_26806 6269-7633-6117 08/18/02 07:46:06 casp5@bialko.llnl.gov T0163TS007_3 PIN_581683_26797 6269-7633-6117 08/18/02 07:43:06 casp5@bialko.llnl.gov T0163TS007_4 PIN_626598_26812 6269-7633-6117 08/18/02 07:47:55 casp5@bialko.llnl.gov T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 casp5@bialko.llnl.gov T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1EL8_A # Loading PARENT structure: 1el8 (chain: A) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 354 # Total number of atoms in model: 354 # Number of atoms with 1.0 occupancy: 354 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 354 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1EL8_A ATOM 1 CA LYS 2 -11.555 43.002 60.342 1.00 1.00 ATOM 2 CA ARG 3 -11.500 40.794 57.245 1.00 1.00 ATOM 3 CA HIS 4 -9.524 37.557 57.553 1.00 1.00 ATOM 4 CA TYR 5 -9.099 35.420 54.420 1.00 1.00 ATOM 5 CA GLU 6 -8.498 31.696 53.946 1.00 1.00 ATOM 6 CA ALA 7 -5.625 32.476 51.595 1.00 1.00 ATOM 7 CA VAL 8 -3.737 35.621 50.599 1.00 1.00 ATOM 8 CA VAL 9 -1.854 35.684 47.255 1.00 1.00 ATOM 9 CA ILE 10 0.818 38.407 47.070 1.00 1.00 ATOM 10 CA GLY 11 1.531 39.235 43.427 1.00 1.00 ATOM 11 CA GLY 12 -1.426 38.531 41.131 1.00 1.00 ATOM 12 CA GLY 13 0.425 37.941 37.900 1.00 1.00 ATOM 13 CA ILE 14 0.960 34.840 35.791 1.00 1.00 ATOM 14 CA ILE 15 1.295 32.463 38.724 1.00 1.00 ATOM 15 CA GLY 16 -0.728 34.330 41.354 1.00 1.00 ATOM 16 CA SER 17 -3.858 34.921 39.279 1.00 1.00 ATOM 17 CA ALA 18 -3.893 31.258 38.150 1.00 1.00 ATOM 18 CA ILE 19 -3.647 30.180 41.798 1.00 1.00 ATOM 19 CA ALA 20 -6.357 32.656 42.819 1.00 1.00 ATOM 20 CA TYR 21 -8.583 31.160 40.145 1.00 1.00 ATOM 21 CA TYR 22 -7.912 27.590 41.339 1.00 1.00 ATOM 22 CA LEU 23 -8.611 28.630 44.950 1.00 1.00 ATOM 23 CA ALA 24 -11.758 30.637 44.243 1.00 1.00 ATOM 24 CA LYS 25 -13.184 27.780 42.174 1.00 1.00 ATOM 25 CA GLU 26 -13.061 25.650 45.329 1.00 1.00 ATOM 26 CA ASN 27 -14.925 28.120 47.514 1.00 1.00 ATOM 27 CA LYS 28 -11.688 29.155 49.276 1.00 1.00 ATOM 28 CA ASN 29 -12.001 32.784 50.487 1.00 1.00 ATOM 29 CA THR 30 -9.108 34.434 48.681 1.00 1.00 ATOM 30 CA ALA 31 -7.475 37.881 48.632 1.00 1.00 ATOM 31 CA LEU 32 -5.068 38.687 45.763 1.00 1.00 ATOM 32 CA PHE 33 -2.831 41.749 46.247 1.00 1.00 ATOM 33 CA GLU 34 -0.904 43.374 43.367 1.00 1.00 ATOM 34 CA SER 35 1.352 46.434 43.066 1.00 1.00 ATOM 35 CA GLY 36 -0.437 47.303 39.824 1.00 1.00 ATOM 36 CA THR 37 -3.622 46.188 38.032 1.00 1.00 ATOM 38 CA MET 38 -2.682 42.277 33.429 1.00 1.00 ATOM 39 CA GLY 39 -0.213 45.168 33.152 1.00 1.00 ATOM 40 CA GLY 40 3.036 46.094 31.375 1.00 1.00 ATOM 41 CA ARG 41 5.327 46.399 34.429 1.00 1.00 ATOM 42 CA THR 42 5.906 42.723 35.212 1.00 1.00 ATOM 43 CA THR 43 6.795 39.660 33.141 1.00 1.00 ATOM 44 CA SER 44 3.538 38.836 31.288 1.00 1.00 ATOM 45 CA ALA 45 2.871 41.459 28.653 1.00 1.00 ATOM 46 CA ALA 46 3.956 41.609 25.031 1.00 1.00 ATOM 47 CA ALA 47 0.689 39.871 24.081 1.00 1.00 ATOM 48 CA GLY 48 1.932 36.384 23.215 1.00 1.00 ATOM 49 CA MET 49 3.775 33.496 24.829 1.00 1.00 ATOM 50 CA LEU 50 4.987 30.236 23.388 1.00 1.00 ATOM 51 CA GLY 51 3.915 26.940 24.924 1.00 1.00 ATOM 52 CA ALA 52 5.974 23.847 24.002 1.00 1.00 ATOM 53 CA HIS 53 5.528 20.264 25.239 1.00 1.00 ATOM 54 CA ALA 54 8.766 18.548 24.077 1.00 1.00 ATOM 55 CA GLU 55 10.979 20.548 26.438 1.00 1.00 ATOM 56 CA CYS 56 14.548 21.478 25.536 1.00 1.00 ATOM 57 CA GLU 57 15.206 22.897 29.027 1.00 1.00 ATOM 58 CA ARG 59 14.571 19.384 30.286 1.00 1.00 ATOM 59 CA ASP 60 12.331 16.399 29.595 1.00 1.00 ATOM 60 CA ALA 61 11.214 16.446 33.276 1.00 1.00 ATOM 61 CA PHE 62 8.977 19.477 32.502 1.00 1.00 ATOM 62 CA PHE 63 6.842 17.525 29.992 1.00 1.00 ATOM 63 CA ASP 64 4.197 16.344 32.509 1.00 1.00 ATOM 64 CA PHE 65 3.525 19.925 33.731 1.00 1.00 ATOM 65 CA ALA 66 3.477 21.246 30.142 1.00 1.00 ATOM 66 CA MET 67 0.908 18.639 29.044 1.00 1.00 ATOM 67 CA HIS 68 -1.216 19.402 32.096 1.00 1.00 ATOM 68 CA SER 69 -0.946 23.153 31.510 1.00 1.00 ATOM 69 CA GLN 70 -1.957 22.629 27.888 1.00 1.00 ATOM 70 CA ARG 71 -5.129 20.765 28.963 1.00 1.00 ATOM 71 CA LEU 72 -5.803 23.640 31.427 1.00 1.00 ATOM 72 CA TYR 73 -5.446 26.306 28.706 1.00 1.00 ATOM 73 CA LYS 74 -7.971 24.415 26.555 1.00 1.00 ATOM 74 CA GLY 75 -10.300 24.424 29.576 1.00 1.00 ATOM 75 CA LEU 76 -9.777 28.153 30.006 1.00 1.00 ATOM 76 CA GLY 77 -10.571 28.809 26.340 1.00 1.00 ATOM 77 CA GLU 78 -13.988 27.213 26.908 1.00 1.00 ATOM 78 CA GLU 79 -14.752 29.228 30.049 1.00 1.00 ATOM 79 CA LEU 80 -14.101 32.780 28.802 1.00 1.00 ATOM 80 CA GLY 85 -14.861 35.025 25.804 1.00 1.00 ATOM 81 CA VAL 86 -11.186 36.105 25.730 1.00 1.00 ATOM 82 CA ASP 87 -8.963 34.347 23.179 1.00 1.00 ATOM 83 CA ILE 88 -6.543 32.026 24.962 1.00 1.00 ATOM 84 CA GLN 90 -4.654 29.727 22.551 1.00 1.00 ATOM 85 CA HIS 91 -3.819 29.377 18.866 1.00 1.00 ATOM 86 CA ASN 92 -2.245 26.115 17.680 1.00 1.00 ATOM 87 CA GLY 93 0.590 27.523 15.553 1.00 1.00 ATOM 88 CA GLY 94 2.857 24.539 16.209 1.00 1.00 ATOM 89 CA MET 95 6.396 25.339 17.397 1.00 1.00 ATOM 90 CA PHE 96 9.572 24.887 15.376 1.00 1.00 ATOM 91 CA LYS 97 12.898 24.245 17.157 1.00 1.00 ATOM 92 CA LEU 98 16.100 24.195 15.063 1.00 1.00 ATOM 93 CA ALA 99 19.858 24.555 15.377 1.00 1.00 ATOM 94 CA PHE 100 23.203 23.470 13.880 1.00 1.00 ATOM 95 CA SER 101 23.288 19.666 13.707 1.00 1.00 ATOM 96 CA GLU 102 25.086 18.181 16.704 1.00 1.00 ATOM 97 CA GLU 103 25.699 21.610 18.162 1.00 1.00 ATOM 98 CA ASP 104 22.665 22.368 20.294 1.00 1.00 ATOM 99 CA VAL 105 21.964 20.792 23.675 1.00 1.00 ATOM 100 CA LEU 106 18.600 22.533 23.432 1.00 1.00 ATOM 101 CA GLN 107 17.590 20.883 20.164 1.00 1.00 ATOM 102 CA LEU 108 18.992 17.519 21.360 1.00 1.00 ATOM 103 CA ARG 109 17.035 17.529 24.615 1.00 1.00 ATOM 104 CA GLN 110 13.870 18.607 22.773 1.00 1.00 ATOM 109 CA MET 111 10.878 10.363 22.271 1.00 1.00 ATOM 110 CA ASP 112 10.715 9.766 26.018 1.00 1.00 ATOM 111 CA ASP 113 7.130 10.996 26.211 1.00 1.00 ATOM 112 CA LEU 114 5.979 9.779 22.798 1.00 1.00 ATOM 113 CA ASP 115 5.102 13.264 21.663 1.00 1.00 ATOM 114 CA SER 116 3.969 13.861 18.095 1.00 1.00 ATOM 115 CA VAL 117 6.722 15.663 16.191 1.00 1.00 ATOM 116 CA SER 118 8.254 15.991 12.718 1.00 1.00 ATOM 117 CA TRP 119 12.021 15.745 12.242 1.00 1.00 ATOM 118 CA TYR 120 13.552 17.581 9.291 1.00 1.00 ATOM 119 CA SER 121 16.776 19.222 8.208 1.00 1.00 ATOM 120 CA LYS 122 18.517 21.536 5.819 1.00 1.00 ATOM 121 CA GLU 123 16.605 22.591 2.761 1.00 1.00 ATOM 122 CA GLU 124 13.567 20.617 4.006 1.00 1.00 ATOM 123 CA VAL 125 13.099 23.329 6.632 1.00 1.00 ATOM 124 CA LEU 126 13.303 26.151 4.068 1.00 1.00 ATOM 125 CA GLU 127 11.014 24.207 1.685 1.00 1.00 ATOM 126 CA LYS 128 8.308 23.504 4.256 1.00 1.00 ATOM 127 CA GLU 129 8.248 27.108 5.489 1.00 1.00 ATOM 128 CA PRO 130 8.929 29.739 2.789 1.00 1.00 ATOM 129 CA TYR 131 10.471 32.660 4.692 1.00 1.00 ATOM 130 CA ALA 132 12.960 30.614 6.732 1.00 1.00 ATOM 131 CA SER 133 16.514 30.344 5.447 1.00 1.00 ATOM 133 CA GLY 134 22.131 26.588 6.503 1.00 1.00 ATOM 134 CA ASP 135 22.058 23.015 5.181 1.00 1.00 ATOM 135 CA ILE 136 23.821 21.732 8.283 1.00 1.00 ATOM 136 CA PHE 137 20.836 22.681 10.470 1.00 1.00 ATOM 137 CA GLY 138 18.263 20.196 11.730 1.00 1.00 ATOM 138 CA ALA 139 14.935 20.704 13.365 1.00 1.00 ATOM 139 CA SER 140 12.097 19.211 15.375 1.00 1.00 ATOM 140 CA PHE 141 8.612 20.669 14.763 1.00 1.00 ATOM 141 CA ILE 142 5.777 20.142 17.290 1.00 1.00 ATOM 142 CA GLN 143 2.410 20.578 15.486 1.00 1.00 ATOM 143 CA ASP 144 0.218 20.537 18.566 1.00 1.00 ATOM 144 CA ASP 145 2.103 23.200 20.574 1.00 1.00 ATOM 145 CA VAL 146 1.366 26.852 20.082 1.00 1.00 ATOM 146 CA HIS 147 0.829 30.371 21.209 1.00 1.00 ATOM 147 CA VAL 148 -0.920 31.660 24.335 1.00 1.00 ATOM 148 CA GLU 149 -2.325 35.183 24.635 1.00 1.00 ATOM 149 CA PRO 150 -0.828 35.864 28.055 1.00 1.00 ATOM 150 CA TYR 151 -2.616 39.100 28.973 1.00 1.00 ATOM 151 CA PHE 152 -5.953 37.528 28.001 1.00 1.00 ATOM 152 CA VAL 153 -5.098 34.511 30.183 1.00 1.00 ATOM 153 CA CYS 154 -4.525 36.623 33.275 1.00 1.00 ATOM 154 CA LYS 155 -7.549 38.778 32.549 1.00 1.00 ATOM 155 CA ALA 156 -9.741 35.670 32.137 1.00 1.00 ATOM 156 CA TYR 157 -8.435 34.025 35.316 1.00 1.00 ATOM 157 CA VAL 158 -9.067 37.254 37.170 1.00 1.00 ATOM 158 CA LYS 159 -12.611 37.785 35.890 1.00 1.00 ATOM 159 CA ALA 160 -13.505 34.177 36.668 1.00 1.00 ATOM 160 CA ALA 161 -11.940 34.229 40.136 1.00 1.00 ATOM 161 CA LYS 162 -13.682 37.492 41.022 1.00 1.00 ATOM 162 CA MET 163 -17.021 36.176 39.780 1.00 1.00 ATOM 163 CA LEU 164 -16.510 33.363 42.287 1.00 1.00 ATOM 164 CA GLY 165 -15.758 35.726 45.173 1.00 1.00 ATOM 165 CA ALA 166 -12.000 36.242 45.142 1.00 1.00 ATOM 166 CA GLU 167 -11.112 39.857 46.008 1.00 1.00 ATOM 167 CA ILE 168 -8.331 41.640 44.137 1.00 1.00 ATOM 168 CA PHE 169 -6.655 44.614 45.803 1.00 1.00 ATOM 169 CA GLU 170 -4.825 46.594 43.104 1.00 1.00 ATOM 170 CA HIS 171 -2.099 49.246 43.081 1.00 1.00 ATOM 171 CA THR 172 -1.081 48.000 46.501 1.00 1.00 ATOM 172 CA PRO 173 2.513 47.109 47.132 1.00 1.00 ATOM 173 CA VAL 174 3.075 44.601 49.902 1.00 1.00 ATOM 174 CA LEU 175 6.084 45.787 51.887 1.00 1.00 ATOM 175 CA HIS 176 6.486 43.293 54.713 1.00 1.00 ATOM 176 CA VAL 177 5.224 39.983 56.102 1.00 1.00 ATOM 177 CA GLU 178 4.491 38.611 59.566 1.00 1.00 ATOM 178 CA ARG 179 4.328 34.831 59.684 1.00 1.00 ATOM 179 CA ASP 180 3.244 32.808 62.707 1.00 1.00 ATOM 180 CA GLY 181 2.784 29.060 63.170 1.00 1.00 ATOM 181 CA GLU 182 -0.951 29.407 62.540 1.00 1.00 ATOM 182 CA ALA 183 -1.450 32.536 60.441 1.00 1.00 ATOM 183 CA LEU 184 0.097 34.899 57.952 1.00 1.00 ATOM 184 CA PHE 185 -0.149 38.685 57.766 1.00 1.00 ATOM 185 CA ILE 186 0.926 41.228 55.107 1.00 1.00 ATOM 186 CA LYS 187 1.608 44.975 55.375 1.00 1.00 ATOM 187 CA THR 188 0.799 47.596 52.728 1.00 1.00 ATOM 188 CA PRO 189 0.297 51.364 52.605 1.00 1.00 ATOM 189 CA SER 190 -3.407 50.595 52.159 1.00 1.00 ATOM 190 CA GLY 191 -3.689 48.406 55.257 1.00 1.00 ATOM 191 CA ASP 192 -2.751 44.999 56.644 1.00 1.00 ATOM 192 CA VAL 193 -4.536 41.628 56.136 1.00 1.00 ATOM 193 CA TRP 194 -4.440 38.174 57.783 1.00 1.00 ATOM 194 CA ALA 195 -5.061 34.644 56.512 1.00 1.00 ATOM 195 CA ASN 196 -4.303 31.005 57.253 1.00 1.00 ATOM 196 CA HIS 197 -2.087 30.608 54.167 1.00 1.00 ATOM 197 CA VAL 198 0.157 32.751 52.015 1.00 1.00 ATOM 198 CA VAL 199 1.258 32.376 48.417 1.00 1.00 ATOM 199 CA VAL 200 4.183 34.555 47.325 1.00 1.00 ATOM 200 CA ALA 201 4.496 35.125 43.580 1.00 1.00 ATOM 201 CA SER 202 5.954 38.594 43.036 1.00 1.00 ATOM 202 CA GLY 203 7.910 37.860 39.841 1.00 1.00 ATOM 203 CA VAL 204 10.963 40.128 39.440 1.00 1.00 ATOM 204 CA TRP 205 10.309 41.605 42.889 1.00 1.00 ATOM 205 CA SER 206 10.905 38.241 44.568 1.00 1.00 ATOM 206 CA GLY 207 14.609 39.166 44.198 1.00 1.00 ATOM 207 CA MET 208 14.108 42.192 46.493 1.00 1.00 ATOM 208 CA PHE 209 11.424 41.050 48.932 1.00 1.00 ATOM 209 CA PHE 210 11.973 37.394 49.780 1.00 1.00 ATOM 210 CA LYS 211 14.563 38.653 52.247 1.00 1.00 ATOM 211 CA GLN 212 11.519 39.871 54.238 1.00 1.00 ATOM 212 CA LEU 213 10.689 36.173 54.726 1.00 1.00 ATOM 213 CA GLY 214 14.214 35.394 55.929 1.00 1.00 ATOM 214 CA LEU 215 15.093 33.880 52.554 1.00 1.00 ATOM 215 CA ASN 216 18.406 34.452 50.752 1.00 1.00 ATOM 216 CA ASN 217 18.216 32.946 47.284 1.00 1.00 ATOM 217 CA ALA 218 20.069 34.159 44.226 1.00 1.00 ATOM 218 CA PHE 219 17.499 35.660 41.865 1.00 1.00 ATOM 219 CA LEU 220 18.645 38.000 39.079 1.00 1.00 ATOM 220 CA PRO 221 16.144 40.106 37.120 1.00 1.00 ATOM 221 CA VAL 222 16.968 40.741 33.445 1.00 1.00 ATOM 222 CA LYS 223 15.689 43.319 30.978 1.00 1.00 ATOM 223 CA GLY 224 14.355 41.400 27.979 1.00 1.00 ATOM 224 CA GLU 225 12.884 43.144 24.937 1.00 1.00 ATOM 225 CA CYS 226 10.879 41.963 21.922 1.00 1.00 ATOM 226 CA LEU 227 10.023 43.631 18.655 1.00 1.00 ATOM 227 CA SER 228 7.234 43.277 16.076 1.00 1.00 ATOM 228 CA VAL 229 8.391 43.798 12.464 1.00 1.00 ATOM 229 CA TRP 230 6.471 44.457 9.223 1.00 1.00 ATOM 230 CA ASN 231 6.676 41.180 7.330 1.00 1.00 ATOM 231 CA ASP 232 5.848 39.418 4.089 1.00 1.00 ATOM 232 CA ASP 233 2.372 38.267 5.185 1.00 1.00 ATOM 242 CA ILE 234 5.061 28.518 13.274 1.00 1.00 ATOM 243 CA PRO 235 6.040 29.950 16.619 1.00 1.00 ATOM 244 CA LEU 236 9.682 29.047 17.269 1.00 1.00 ATOM 245 CA THR 237 12.588 28.853 19.702 1.00 1.00 ATOM 246 CA LYS 238 15.923 28.209 18.050 1.00 1.00 ATOM 247 CA THR 239 19.629 28.009 18.845 1.00 1.00 ATOM 248 CA LEU 240 22.283 29.705 16.659 1.00 1.00 ATOM 249 CA TYR 241 26.012 30.171 17.390 1.00 1.00 ATOM 250 CA HIS 242 25.388 33.388 19.312 1.00 1.00 ATOM 251 CA ASP 243 22.437 32.234 21.403 1.00 1.00 ATOM 252 CA HIS 244 18.763 31.300 21.547 1.00 1.00 ATOM 253 CA CYS 245 15.990 33.313 19.889 1.00 1.00 ATOM 254 CA TYR 246 12.192 32.859 19.958 1.00 1.00 ATOM 255 CA ILE 247 9.402 34.267 17.819 1.00 1.00 ATOM 256 CA VAL 248 5.831 34.232 16.699 1.00 1.00 ATOM 257 CA PRO 249 4.082 34.379 13.356 1.00 1.00 ATOM 258 CA ARG 250 2.232 37.568 12.433 1.00 1.00 ATOM 259 CA LYS 251 -1.327 37.474 13.813 1.00 1.00 ATOM 260 CA SER 252 -3.819 39.589 11.885 1.00 1.00 ATOM 261 CA GLY 253 -0.974 41.573 10.317 1.00 1.00 ATOM 262 CA ARG 254 0.685 42.569 13.622 1.00 1.00 ATOM 263 CA LEU 255 4.071 41.515 12.243 1.00 1.00 ATOM 264 CA VAL 256 6.400 38.662 13.185 1.00 1.00 ATOM 265 CA VAL 257 7.496 39.111 16.806 1.00 1.00 ATOM 266 CA GLY 258 11.014 38.224 17.968 1.00 1.00 ATOM 267 CA ALA 259 13.105 38.068 21.098 1.00 1.00 ATOM 268 CA THR 260 16.746 37.302 21.968 1.00 1.00 ATOM 269 CA MET 261 16.548 34.843 24.883 1.00 1.00 ATOM 270 CA LYS 262 20.084 34.301 26.179 1.00 1.00 ATOM 271 CA PRO 263 21.082 37.949 26.567 1.00 1.00 ATOM 272 CA GLY 264 19.501 40.787 28.544 1.00 1.00 ATOM 281 CA ASP 265 14.167 51.440 31.758 1.00 1.00 ATOM 282 CA TRP 266 11.028 50.119 30.101 1.00 1.00 ATOM 283 CA SER 267 11.341 52.054 26.859 1.00 1.00 ATOM 284 CA GLU 268 12.208 49.871 23.862 1.00 1.00 ATOM 285 CA THR 269 15.107 51.148 21.765 1.00 1.00 ATOM 286 CA PRO 270 17.066 53.093 24.386 1.00 1.00 ATOM 287 CA ASP 271 19.914 50.594 24.071 1.00 1.00 ATOM 288 CA LEU 272 21.140 50.155 20.482 1.00 1.00 ATOM 289 CA GLY 273 21.164 46.363 21.062 1.00 1.00 ATOM 290 CA GLY 274 17.393 46.301 21.593 1.00 1.00 ATOM 291 CA LEU 275 16.745 46.476 17.875 1.00 1.00 ATOM 292 CA GLU 276 20.073 45.375 16.382 1.00 1.00 ATOM 293 CA SER 277 20.245 41.961 18.074 1.00 1.00 ATOM 294 CA VAL 278 16.826 41.177 16.596 1.00 1.00 ATOM 295 CA MET 279 17.592 42.326 13.029 1.00 1.00 ATOM 296 CA LYS 280 20.934 40.491 13.213 1.00 1.00 ATOM 297 CA LYS 281 18.895 37.288 13.513 1.00 1.00 ATOM 298 CA ALA 282 16.149 38.220 11.031 1.00 1.00 ATOM 299 CA LYS 283 18.381 39.255 8.103 1.00 1.00 ATOM 300 CA THR 284 20.135 35.897 8.370 1.00 1.00 ATOM 301 CA MET 285 17.244 33.458 9.115 1.00 1.00 ATOM 302 CA LEU 286 13.864 35.136 8.307 1.00 1.00 ATOM 303 CA PRO 287 14.844 37.821 5.798 1.00 1.00 ATOM 304 CA ALA 288 11.298 38.553 4.627 1.00 1.00 ATOM 305 CA GLN 290 10.349 39.487 8.203 1.00 1.00 ATOM 306 CA ASN 291 12.893 42.313 8.644 1.00 1.00 ATOM 307 CA MET 292 10.860 45.403 7.818 1.00 1.00 ATOM 308 CA LYS 293 9.859 48.460 9.788 1.00 1.00 ATOM 309 CA VAL 294 9.710 48.079 13.542 1.00 1.00 ATOM 310 CA ASP 295 5.990 48.235 14.344 1.00 1.00 ATOM 311 CA ARG 296 6.124 47.864 18.088 1.00 1.00 ATOM 312 CA PHE 297 8.490 47.045 20.917 1.00 1.00 ATOM 313 CA TRP 298 7.980 45.940 24.538 1.00 1.00 ATOM 314 CA ALA 299 10.327 45.642 27.530 1.00 1.00 ATOM 315 CA GLY 300 9.791 42.884 29.976 1.00 1.00 ATOM 316 CA LEU 301 11.639 40.915 32.702 1.00 1.00 ATOM 317 CA ARG 302 13.056 37.420 33.367 1.00 1.00 ATOM 318 CA PRO 303 13.990 36.427 36.923 1.00 1.00 ATOM 319 CA GLY 304 16.689 33.769 36.789 1.00 1.00 ATOM 320 CA THR 305 17.845 31.237 39.351 1.00 1.00 ATOM 321 CA LYS 306 21.383 29.828 39.107 1.00 1.00 ATOM 322 CA ASP 307 20.224 26.626 37.355 1.00 1.00 ATOM 323 CA GLY 308 17.375 28.341 35.448 1.00 1.00 ATOM 324 CA LYS 309 14.799 25.933 36.899 1.00 1.00 ATOM 325 CA PRO 310 11.806 27.309 38.844 1.00 1.00 ATOM 326 CA TYR 311 11.183 27.463 42.580 1.00 1.00 ATOM 327 CA ILE 312 7.820 26.106 43.668 1.00 1.00 ATOM 328 CA GLY 313 7.735 24.836 47.202 1.00 1.00 ATOM 329 CA ARG 314 6.740 25.554 50.790 1.00 1.00 ATOM 330 CA HIS 315 8.859 28.043 52.710 1.00 1.00 ATOM 331 CA PRO 316 11.437 25.820 54.494 1.00 1.00 ATOM 332 CA GLU 317 10.523 27.380 57.875 1.00 1.00 ATOM 333 CA ASP 318 6.797 27.955 57.339 1.00 1.00 ATOM 334 CA SER 319 4.509 25.248 56.008 1.00 1.00 ATOM 335 CA ARG 320 1.832 27.941 55.644 1.00 1.00 ATOM 336 CA ILE 321 3.769 29.998 53.093 1.00 1.00 ATOM 337 CA LEU 322 4.094 28.926 49.472 1.00 1.00 ATOM 338 CA PHE 323 6.797 30.340 47.212 1.00 1.00 ATOM 339 CA ALA 324 6.705 30.549 43.423 1.00 1.00 ATOM 340 CA ALA 325 9.762 32.317 41.934 1.00 1.00 ATOM 341 CA GLY 326 12.649 32.330 39.463 1.00 1.00 ATOM 342 CA HIS 327 10.778 31.315 36.372 1.00 1.00 ATOM 343 CA PHE 328 13.896 32.226 34.430 1.00 1.00 ATOM 344 CA ARG 329 12.210 33.467 31.306 1.00 1.00 ATOM 345 CA ASN 330 10.243 30.325 30.396 1.00 1.00 ATOM 346 CA GLY 331 7.463 29.940 32.955 1.00 1.00 ATOM 347 CA ILE 332 4.310 31.476 31.498 1.00 1.00 ATOM 348 CA LEU 333 3.353 28.373 29.521 1.00 1.00 ATOM 349 CA LEU 334 3.199 26.507 32.854 1.00 1.00 ATOM 350 CA ALA 335 1.257 29.177 34.739 1.00 1.00 ATOM 351 CA PRO 336 -2.040 27.278 34.542 1.00 1.00 ATOM 352 CA ALA 337 -0.446 24.113 35.894 1.00 1.00 ATOM 353 CA THR 338 1.491 26.136 38.493 1.00 1.00 ATOM 354 CA GLY 339 -1.668 27.822 39.783 1.00 1.00 ATOM 355 CA ALA 340 -3.062 24.345 40.388 1.00 1.00 ATOM 356 CA LEU 341 0.134 23.316 42.158 1.00 1.00 ATOM 357 CA ILE 342 0.155 26.441 44.319 1.00 1.00 ATOM 358 CA SER 343 -3.499 25.913 45.257 1.00 1.00 ATOM 359 CA ASP 344 -2.765 22.349 46.338 1.00 1.00 ATOM 360 CA LEU 345 0.313 23.425 48.363 1.00 1.00 ATOM 361 CA ILE 346 -1.596 26.199 50.148 1.00 1.00 ATOM 362 CA MET 347 -4.566 23.982 51.006 1.00 1.00 ATOM 363 CA ASN 348 -2.857 20.679 51.780 1.00 1.00 ATOM 364 CA LYS 349 0.850 21.309 52.160 1.00 1.00 ATOM 365 CA GLU 350 1.391 18.893 49.242 1.00 1.00 ATOM 366 CA VAL 351 0.685 18.506 45.550 1.00 1.00 ATOM 367 CA ASN 352 -0.146 15.572 43.286 1.00 1.00 ATOM 368 CA GLN 353 2.472 16.841 40.799 1.00 1.00 ATOM 369 CA ASP 354 6.153 15.855 41.019 1.00 1.00 ATOM 370 CA LEU 356 7.797 19.197 41.755 1.00 1.00 ATOM 371 CA HIS 357 11.049 17.886 43.190 1.00 1.00 ATOM 372 CA ALA 358 13.049 19.576 40.406 1.00 1.00 ATOM 373 CA PHE 359 11.728 22.918 41.710 1.00 1.00 ATOM 374 CA ARG 360 12.680 22.293 45.335 1.00 1.00 ATOM 375 CA ILE 361 13.676 25.416 47.254 1.00 1.00 ATOM 376 CA ASP 362 16.280 23.251 49.074 1.00 1.00 ATOM 377 CA ARG 363 18.137 21.992 45.991 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:07:29 2002 Date: Sun, 18 Aug 2002 08:07:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:39:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_543673_26787 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS007_5 Current information on models submitted in prediction T0163TS007 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS007_5 PIN_543673_26787 6269-7633-6117 08/18/02 07:39:26 casp5@bialko.llnl.gov T0163SS007_1 PIN_355551_16270 6269-7633-6117 07/28/02 09:23:20 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 T0163 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1EL8_B # Loading PARENT structure: 1el8 (chain: B) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 354 # Total number of atoms in model: 354 # Number of atoms with 1.0 occupancy: 354 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 354 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1EL8_B ATOM 1 CA LYS 2 59.518 36.161 -18.773 1.00 1.00 ATOM 2 CA ARG 3 61.385 34.762 -15.778 1.00 1.00 ATOM 3 CA HIS 4 61.022 31.113 -14.956 1.00 1.00 ATOM 4 CA TYR 5 60.683 29.587 -11.527 1.00 1.00 ATOM 5 CA GLU 6 60.141 26.014 -10.394 1.00 1.00 ATOM 6 CA ALA 7 57.241 27.151 -8.209 1.00 1.00 ATOM 7 CA VAL 8 55.289 30.390 -7.792 1.00 1.00 ATOM 8 CA VAL 9 53.426 31.045 -4.508 1.00 1.00 ATOM 9 CA ILE 10 50.724 33.710 -4.827 1.00 1.00 ATOM 10 CA GLY 11 49.978 35.161 -1.414 1.00 1.00 ATOM 11 CA GLY 12 52.953 34.956 0.978 1.00 1.00 ATOM 12 CA GLY 13 51.147 34.943 4.295 1.00 1.00 ATOM 13 CA ILE 14 50.659 32.253 6.940 1.00 1.00 ATOM 14 CA ILE 15 50.368 29.358 4.462 1.00 1.00 ATOM 15 CA GLY 16 52.338 30.773 1.548 1.00 1.00 ATOM 16 CA SER 17 55.461 31.800 3.447 1.00 1.00 ATOM 17 CA ALA 18 55.570 28.410 5.224 1.00 1.00 ATOM 18 CA ILE 19 55.304 26.668 1.842 1.00 1.00 ATOM 19 CA ALA 20 58.003 28.931 0.352 1.00 1.00 ATOM 20 CA TYR 21 60.256 28.011 3.265 1.00 1.00 ATOM 21 CA TYR 22 59.650 24.271 2.763 1.00 1.00 ATOM 22 CA LEU 23 60.316 24.621 -0.998 1.00 1.00 ATOM 23 CA ALA 24 63.432 26.798 -0.688 1.00 1.00 ATOM 24 CA LYS 25 64.912 24.408 1.885 1.00 1.00 ATOM 25 CA GLU 26 64.802 21.726 -0.848 1.00 1.00 ATOM 26 CA ASN 27 66.630 23.760 -3.461 1.00 1.00 ATOM 27 CA LYS 28 63.363 24.423 -5.327 1.00 1.00 ATOM 28 CA ASN 29 63.622 27.778 -7.190 1.00 1.00 ATOM 29 CA THR 30 60.691 29.668 -5.673 1.00 1.00 ATOM 30 CA ALA 31 59.015 33.041 -6.283 1.00 1.00 ATOM 31 CA LEU 32 56.600 34.323 -3.595 1.00 1.00 ATOM 32 CA PHE 33 54.329 37.203 -4.601 1.00 1.00 ATOM 33 CA GLU 34 52.366 39.298 -2.073 1.00 1.00 ATOM 34 CA SER 35 50.027 42.293 -2.324 1.00 1.00 ATOM 35 CA GLY 36 51.801 43.790 0.694 1.00 1.00 ATOM 36 CA THR 37 55.017 43.118 2.644 1.00 1.00 ATOM 38 CA MET 38 54.180 40.057 7.875 1.00 1.00 ATOM 39 CA GLY 39 51.687 42.942 7.629 1.00 1.00 ATOM 40 CA GLY 40 48.412 44.106 9.230 1.00 1.00 ATOM 41 CA ARG 41 46.116 43.814 6.190 1.00 1.00 ATOM 42 CA THR 42 45.615 40.052 6.129 1.00 1.00 ATOM 43 CA THR 43 44.775 37.386 8.709 1.00 1.00 ATOM 44 CA SER 44 48.055 36.968 10.636 1.00 1.00 ATOM 45 CA ALA 45 48.679 40.035 12.772 1.00 1.00 ATOM 46 CA ALA 46 47.598 40.788 16.309 1.00 1.00 ATOM 47 CA ALA 47 50.888 39.275 17.560 1.00 1.00 ATOM 48 CA GLY 48 49.674 35.965 19.022 1.00 1.00 ATOM 49 CA MET 49 47.830 32.819 17.935 1.00 1.00 ATOM 50 CA LEU 50 46.673 29.840 19.947 1.00 1.00 ATOM 51 CA GLY 51 47.755 26.341 19.047 1.00 1.00 ATOM 52 CA ALA 52 45.715 23.447 20.496 1.00 1.00 ATOM 53 CA HIS 53 46.202 19.687 19.913 1.00 1.00 ATOM 54 CA ALA 54 42.998 18.141 21.377 1.00 1.00 ATOM 55 CA GLU 55 40.724 19.706 18.763 1.00 1.00 ATOM 56 CA CYS 56 37.162 20.779 19.500 1.00 1.00 ATOM 57 CA GLU 57 36.451 21.562 15.834 1.00 1.00 ATOM 58 CA ARG 59 37.069 17.887 15.165 1.00 1.00 ATOM 59 CA ASP 60 39.353 15.093 16.375 1.00 1.00 ATOM 60 CA ALA 61 40.472 14.492 12.748 1.00 1.00 ATOM 61 CA PHE 62 42.666 17.628 12.944 1.00 1.00 ATOM 62 CA PHE 63 44.841 16.174 15.735 1.00 1.00 ATOM 63 CA ASP 64 47.477 14.584 13.454 1.00 1.00 ATOM 64 CA PHE 65 48.126 17.891 11.602 1.00 1.00 ATOM 65 CA ALA 66 48.158 19.815 14.886 1.00 1.00 ATOM 66 CA MET 67 50.755 17.439 16.360 1.00 1.00 ATOM 67 CA HIS 68 52.879 17.693 13.233 1.00 1.00 ATOM 68 CA SER 69 52.563 21.493 13.152 1.00 1.00 ATOM 69 CA GLN 70 53.635 21.602 16.790 1.00 1.00 ATOM 70 CA ARG 71 56.747 19.563 15.897 1.00 1.00 ATOM 71 CA LEU 72 57.467 22.006 13.094 1.00 1.00 ATOM 72 CA TYR 73 57.107 25.093 15.304 1.00 1.00 ATOM 73 CA LYS 74 59.667 23.604 17.737 1.00 1.00 ATOM 74 CA GLY 75 61.964 23.110 14.720 1.00 1.00 ATOM 75 CA LEU 76 61.424 26.710 13.664 1.00 1.00 ATOM 76 CA GLY 77 62.222 27.987 17.165 1.00 1.00 ATOM 77 CA GLU 78 65.648 26.363 16.857 1.00 1.00 ATOM 78 CA GLU 79 66.400 27.820 13.432 1.00 1.00 ATOM 79 CA LEU 80 65.740 31.522 14.061 1.00 1.00 ATOM 80 CA GLY 85 66.463 34.253 16.605 1.00 1.00 ATOM 81 CA VAL 86 62.790 35.327 16.511 1.00 1.00 ATOM 82 CA ASP 87 60.585 33.997 19.328 1.00 1.00 ATOM 83 CA ILE 88 58.168 31.376 17.983 1.00 1.00 ATOM 84 CA GLN 90 56.322 29.511 20.781 1.00 1.00 ATOM 85 CA HIS 91 55.506 29.813 24.495 1.00 1.00 ATOM 86 CA ASN 92 53.984 26.780 26.232 1.00 1.00 ATOM 87 CA GLY 93 51.157 28.520 28.102 1.00 1.00 ATOM 88 CA GLY 94 48.895 25.477 28.031 1.00 1.00 ATOM 89 CA MET 95 45.352 26.018 26.727 1.00 1.00 ATOM 90 CA PHE 96 42.184 25.875 28.811 1.00 1.00 ATOM 91 CA LYS 97 38.854 24.886 27.197 1.00 1.00 ATOM 92 CA LEU 98 35.659 25.212 29.282 1.00 1.00 ATOM 93 CA ALA 99 31.892 25.480 28.953 1.00 1.00 ATOM 94 CA PHE 100 28.571 24.634 30.621 1.00 1.00 ATOM 95 CA SER 101 28.557 20.919 31.463 1.00 1.00 ATOM 96 CA GLU 102 26.737 18.919 28.786 1.00 1.00 ATOM 97 CA GLU 103 26.089 22.043 26.764 1.00 1.00 ATOM 98 CA ASP 104 29.093 22.443 24.530 1.00 1.00 ATOM 99 CA VAL 105 29.788 20.306 21.462 1.00 1.00 ATOM 100 CA LEU 106 33.134 22.096 21.337 1.00 1.00 ATOM 101 CA GLN 107 34.167 21.049 24.859 1.00 1.00 ATOM 102 CA LEU 108 32.823 17.515 24.300 1.00 1.00 ATOM 103 CA ARG 109 34.749 16.956 21.059 1.00 1.00 ATOM 104 CA GLN 110 37.892 18.406 22.675 1.00 1.00 ATOM 109 CA MET 111 40.966 10.378 24.545 1.00 1.00 ATOM 110 CA ASP 112 41.130 9.135 20.970 1.00 1.00 ATOM 111 CA ASP 113 44.711 10.335 20.523 1.00 1.00 ATOM 112 CA LEU 114 45.902 9.717 24.100 1.00 1.00 ATOM 113 CA ASP 115 46.815 13.372 24.686 1.00 1.00 ATOM 114 CA SER 116 47.949 14.631 28.080 1.00 1.00 ATOM 115 CA VAL 117 45.151 16.693 29.639 1.00 1.00 ATOM 116 CA SER 118 43.608 17.647 32.983 1.00 1.00 ATOM 117 CA TRP 119 39.851 17.428 33.507 1.00 1.00 ATOM 118 CA TYR 120 38.285 19.712 36.090 1.00 1.00 ATOM 119 CA SER 121 35.031 21.476 36.856 1.00 1.00 ATOM 120 CA LYS 122 33.242 24.143 38.823 1.00 1.00 ATOM 121 CA GLU 123 35.147 25.759 41.634 1.00 1.00 ATOM 122 CA GLU 124 38.192 23.652 40.719 1.00 1.00 ATOM 123 CA VAL 125 38.645 25.865 37.671 1.00 1.00 ATOM 124 CA LEU 126 38.408 29.081 39.724 1.00 1.00 ATOM 125 CA GLU 127 40.704 27.609 42.397 1.00 1.00 ATOM 126 CA LYS 128 43.430 26.538 39.977 1.00 1.00 ATOM 127 CA GLU 129 43.419 29.866 38.111 1.00 1.00 ATOM 128 CA PRO 130 42.687 32.921 40.303 1.00 1.00 ATOM 129 CA TYR 131 41.161 35.407 37.875 1.00 1.00 ATOM 130 CA ALA 132 38.676 33.001 36.285 1.00 1.00 ATOM 131 CA SER 133 35.117 32.922 37.604 1.00 1.00 ATOM 133 CA GLY 134 29.544 28.956 37.247 1.00 1.00 ATOM 134 CA ASP 135 29.683 25.685 39.184 1.00 1.00 ATOM 135 CA ILE 136 27.946 23.841 36.355 1.00 1.00 ATOM 136 CA PHE 137 30.905 24.437 34.012 1.00 1.00 ATOM 137 CA GLY 138 33.524 21.791 33.238 1.00 1.00 ATOM 138 CA ALA 139 36.843 22.065 31.501 1.00 1.00 ATOM 139 CA SER 140 39.717 20.263 29.819 1.00 1.00 ATOM 140 CA PHE 141 43.187 21.837 30.133 1.00 1.00 ATOM 141 CA ILE 142 46.018 20.944 27.728 1.00 1.00 ATOM 142 CA GLN 143 49.372 21.716 29.411 1.00 1.00 ATOM 143 CA ASP 144 51.532 21.183 26.349 1.00 1.00 ATOM 144 CA ASP 145 49.607 23.441 23.963 1.00 1.00 ATOM 145 CA VAL 146 50.291 27.136 23.790 1.00 1.00 ATOM 146 CA HIS 147 50.806 30.403 22.010 1.00 1.00 ATOM 147 CA VAL 148 52.531 31.149 18.718 1.00 1.00 ATOM 148 CA GLU 149 53.879 34.588 17.798 1.00 1.00 ATOM 149 CA PRO 150 52.378 34.613 14.313 1.00 1.00 ATOM 150 CA TYR 151 54.116 37.665 12.832 1.00 1.00 ATOM 151 CA PHE 152 57.467 36.342 14.051 1.00 1.00 ATOM 152 CA VAL 153 56.647 32.982 12.443 1.00 1.00 ATOM 153 CA CYS 154 56.057 34.482 9.026 1.00 1.00 ATOM 154 CA LYS 155 59.026 36.791 9.371 1.00 1.00 ATOM 155 CA ALA 156 61.291 33.847 10.314 1.00 1.00 ATOM 156 CA TYR 157 60.000 31.626 7.493 1.00 1.00 ATOM 157 CA VAL 158 60.592 34.494 5.078 1.00 1.00 ATOM 158 CA LYS 159 64.124 35.299 6.232 1.00 1.00 ATOM 159 CA ALA 160 65.077 31.618 6.087 1.00 1.00 ATOM 160 CA ALA 161 63.504 31.037 2.679 1.00 1.00 ATOM 161 CA LYS 162 65.204 34.122 1.212 1.00 1.00 ATOM 162 CA MET 163 68.576 33.116 2.666 1.00 1.00 ATOM 163 CA LEU 164 68.103 29.871 0.710 1.00 1.00 ATOM 164 CA GLY 165 67.323 31.623 -2.549 1.00 1.00 ATOM 165 CA ALA 166 63.557 32.147 -2.599 1.00 1.00 ATOM 166 CA GLU 167 62.576 35.499 -4.116 1.00 1.00 ATOM 167 CA ILE 168 59.789 37.560 -2.555 1.00 1.00 ATOM 168 CA PHE 169 58.031 40.145 -4.721 1.00 1.00 ATOM 169 CA GLU 170 56.165 42.555 -2.429 1.00 1.00 ATOM 170 CA HIS 171 53.388 45.108 -2.874 1.00 1.00 ATOM 171 CA THR 172 52.394 43.209 -6.006 1.00 1.00 ATOM 172 CA PRO 173 48.803 42.193 -6.453 1.00 1.00 ATOM 173 CA VAL 174 48.320 39.218 -8.756 1.00 1.00 ATOM 174 CA LEU 175 45.266 39.945 -10.876 1.00 1.00 ATOM 175 CA HIS 176 44.945 36.995 -13.227 1.00 1.00 ATOM 176 CA VAL 177 46.262 33.506 -13.990 1.00 1.00 ATOM 177 CA GLU 178 47.045 31.535 -17.154 1.00 1.00 ATOM 178 CA ARG 179 47.239 27.806 -16.587 1.00 1.00 ATOM 179 CA ASP 180 48.356 25.305 -19.205 1.00 1.00 ATOM 180 CA GLY 181 48.875 21.542 -18.991 1.00 1.00 ATOM 181 CA GLU 182 52.610 22.065 -18.450 1.00 1.00 ATOM 182 CA ALA 183 53.087 25.533 -16.933 1.00 1.00 ATOM 183 CA LEU 184 51.473 28.258 -14.911 1.00 1.00 ATOM 184 CA PHE 185 51.711 32.003 -15.444 1.00 1.00 ATOM 185 CA ILE 186 50.775 35.115 -13.516 1.00 1.00 ATOM 186 CA LYS 187 50.613 38.749 -14.638 1.00 1.00 ATOM 187 CA THR 188 52.228 41.730 -12.885 1.00 1.00 ATOM 188 CA PRO 189 53.176 45.350 -13.585 1.00 1.00 ATOM 189 CA SER 190 56.935 44.756 -13.416 1.00 1.00 ATOM 190 CA GLY 191 56.883 41.517 -15.459 1.00 1.00 ATOM 191 CA ASP 192 55.145 38.219 -16.164 1.00 1.00 ATOM 192 CA VAL 193 56.194 35.136 -14.245 1.00 1.00 ATOM 193 CA TRP 194 56.068 31.474 -15.231 1.00 1.00 ATOM 194 CA ALA 195 56.652 28.229 -13.366 1.00 1.00 ATOM 195 CA ASN 196 55.915 24.517 -13.396 1.00 1.00 ATOM 196 CA HIS 197 53.701 24.682 -10.299 1.00 1.00 ATOM 197 CA VAL 198 51.453 27.201 -8.589 1.00 1.00 ATOM 198 CA VAL 199 50.368 27.482 -4.982 1.00 1.00 ATOM 199 CA VAL 200 47.426 29.795 -4.287 1.00 1.00 ATOM 200 CA ALA 201 47.122 31.014 -0.693 1.00 1.00 ATOM 201 CA SER 202 45.619 34.518 -0.786 1.00 1.00 ATOM 202 CA GLY 203 43.681 34.408 2.486 1.00 1.00 ATOM 203 CA VAL 204 40.652 36.694 2.518 1.00 1.00 ATOM 204 CA TRP 205 41.250 37.501 -1.151 1.00 1.00 ATOM 205 CA SER 206 40.670 33.884 -2.192 1.00 1.00 ATOM 206 CA GLY 207 36.976 34.840 -1.989 1.00 1.00 ATOM 207 CA MET 208 37.469 37.402 -4.790 1.00 1.00 ATOM 208 CA PHE 209 40.138 35.862 -6.996 1.00 1.00 ATOM 209 CA PHE 210 39.592 32.095 -7.158 1.00 1.00 ATOM 210 CA LYS 211 36.998 32.857 -9.816 1.00 1.00 ATOM 211 CA GLN 212 40.045 33.728 -11.987 1.00 1.00 ATOM 212 CA LEU 213 40.888 30.008 -11.823 1.00 1.00 ATOM 213 CA GLY 214 37.376 28.998 -12.837 1.00 1.00 ATOM 214 CA LEU 215 36.497 28.122 -9.255 1.00 1.00 ATOM 215 CA ASN 216 33.206 29.009 -7.581 1.00 1.00 ATOM 216 CA ASN 217 33.426 28.166 -3.888 1.00 1.00 ATOM 217 CA ALA 218 31.521 29.901 -1.097 1.00 1.00 ATOM 218 CA PHE 219 34.104 31.808 0.952 1.00 1.00 ATOM 219 CA LEU 220 32.966 34.603 3.266 1.00 1.00 ATOM 220 CA PRO 221 35.449 37.064 4.815 1.00 1.00 ATOM 221 CA VAL 222 34.621 38.310 8.314 1.00 1.00 ATOM 222 CA LYS 223 35.921 41.285 10.289 1.00 1.00 ATOM 223 CA GLY 224 37.258 39.936 13.579 1.00 1.00 ATOM 224 CA GLU 225 38.721 42.176 16.258 1.00 1.00 ATOM 225 CA CYS 226 40.768 41.564 19.414 1.00 1.00 ATOM 226 CA LEU 227 41.583 43.787 22.367 1.00 1.00 ATOM 227 CA SER 228 44.399 43.947 24.945 1.00 1.00 ATOM 228 CA VAL 229 43.225 45.102 28.391 1.00 1.00 ATOM 229 CA TRP 230 45.179 46.317 31.439 1.00 1.00 ATOM 230 CA ASN 231 45.002 43.411 33.875 1.00 1.00 ATOM 231 CA ASP 232 45.813 42.264 37.399 1.00 1.00 ATOM 232 CA ASP 233 49.290 40.955 36.519 1.00 1.00 ATOM 242 CA ILE 234 46.613 29.925 30.315 1.00 1.00 ATOM 243 CA PRO 235 45.666 30.693 26.770 1.00 1.00 ATOM 244 CA LEU 236 42.009 29.691 26.291 1.00 1.00 ATOM 245 CA THR 237 39.080 29.076 23.955 1.00 1.00 ATOM 246 CA LYS 238 35.756 28.709 25.694 1.00 1.00 ATOM 247 CA THR 239 32.047 28.376 24.966 1.00 1.00 ATOM 248 CA LEU 240 29.412 30.413 26.812 1.00 1.00 ATOM 249 CA TYR 241 25.661 30.749 26.038 1.00 1.00 ATOM 250 CA HIS 242 26.259 33.573 23.555 1.00 1.00 ATOM 251 CA ASP 243 29.239 32.105 21.704 1.00 1.00 ATOM 252 CA HIS 244 32.903 31.135 21.710 1.00 1.00 ATOM 253 CA CYS 245 35.687 33.428 22.970 1.00 1.00 ATOM 254 CA TYR 246 39.488 32.986 22.970 1.00 1.00 ATOM 255 CA ILE 247 42.263 34.758 24.806 1.00 1.00 ATOM 256 CA VAL 248 45.827 34.963 25.934 1.00 1.00 ATOM 257 CA PRO 249 47.601 35.650 29.221 1.00 1.00 ATOM 258 CA ARG 250 49.438 38.964 29.518 1.00 1.00 ATOM 259 CA LYS 251 52.978 38.684 28.154 1.00 1.00 ATOM 260 CA SER 252 55.469 41.106 29.698 1.00 1.00 ATOM 261 CA GLY 253 52.594 43.311 30.886 1.00 1.00 ATOM 262 CA ARG 254 50.929 43.698 27.446 1.00 1.00 ATOM 263 CA LEU 255 47.591 42.895 29.033 1.00 1.00 ATOM 264 CA VAL 256 45.238 39.929 28.601 1.00 1.00 ATOM 265 CA VAL 257 44.133 39.679 24.955 1.00 1.00 ATOM 266 CA GLY 258 40.622 38.608 23.985 1.00 1.00 ATOM 267 CA ALA 259 38.520 37.913 20.951 1.00 1.00 ATOM 268 CA THR 260 34.897 36.966 20.220 1.00 1.00 ATOM 269 CA MET 261 35.117 34.046 17.775 1.00 1.00 ATOM 270 CA LYS 262 31.575 33.261 16.613 1.00 1.00 ATOM 271 CA PRO 263 30.555 36.783 15.600 1.00 1.00 ATOM 272 CA GLY 264 32.105 39.209 13.124 1.00 1.00 ATOM 281 CA ASP 265 37.380 49.149 8.086 1.00 1.00 ATOM 282 CA TRP 266 40.546 48.150 9.937 1.00 1.00 ATOM 283 CA SER 267 40.236 50.631 12.794 1.00 1.00 ATOM 284 CA GLU 268 39.375 48.999 16.126 1.00 1.00 ATOM 285 CA THR 269 36.479 50.620 17.979 1.00 1.00 ATOM 286 CA PRO 270 34.494 52.125 15.067 1.00 1.00 ATOM 287 CA ASP 271 31.674 49.665 15.806 1.00 1.00 ATOM 288 CA LEU 272 30.456 49.891 19.396 1.00 1.00 ATOM 289 CA GLY 273 30.422 46.049 19.540 1.00 1.00 ATOM 290 CA GLY 274 34.217 45.922 19.019 1.00 1.00 ATOM 291 CA LEU 275 34.846 46.766 22.636 1.00 1.00 ATOM 292 CA GLU 276 31.540 45.890 24.297 1.00 1.00 ATOM 293 CA SER 277 31.385 42.237 23.227 1.00 1.00 ATOM 294 CA VAL 278 34.818 41.731 24.835 1.00 1.00 ATOM 295 CA MET 279 34.042 43.504 28.119 1.00 1.00 ATOM 296 CA LYS 280 30.731 41.662 28.306 1.00 1.00 ATOM 297 CA LYS 281 32.769 38.448 28.552 1.00 1.00 ATOM 298 CA ALA 282 35.519 39.816 30.837 1.00 1.00 ATOM 299 CA LYS 283 33.283 41.359 33.512 1.00 1.00 ATOM 300 CA THR 284 31.536 38.014 33.849 1.00 1.00 ATOM 301 CA MET 285 34.436 35.481 33.582 1.00 1.00 ATOM 302 CA LEU 286 37.818 37.288 34.070 1.00 1.00 ATOM 303 CA PRO 287 36.840 40.377 36.048 1.00 1.00 ATOM 304 CA ALA 288 40.368 41.344 37.065 1.00 1.00 ATOM 305 CA GLN 290 41.303 41.581 33.371 1.00 1.00 ATOM 306 CA ASN 291 38.760 44.290 32.460 1.00 1.00 ATOM 307 CA MET 292 40.805 47.472 32.683 1.00 1.00 ATOM 308 CA LYS 293 41.766 50.157 30.207 1.00 1.00 ATOM 309 CA VAL 294 41.926 49.112 26.599 1.00 1.00 ATOM 310 CA ASP 295 45.628 49.121 25.759 1.00 1.00 ATOM 311 CA ARG 296 45.515 48.068 22.135 1.00 1.00 ATOM 312 CA PHE 297 43.125 46.797 19.497 1.00 1.00 ATOM 313 CA TRP 298 43.631 45.053 16.135 1.00 1.00 ATOM 314 CA ALA 299 41.274 44.225 13.265 1.00 1.00 ATOM 315 CA GLY 300 41.823 41.082 11.342 1.00 1.00 ATOM 316 CA LEU 301 39.968 38.657 8.999 1.00 1.00 ATOM 317 CA ARG 302 38.568 35.087 8.952 1.00 1.00 ATOM 318 CA PRO 303 37.638 33.477 5.648 1.00 1.00 ATOM 319 CA GLY 304 34.943 30.886 6.250 1.00 1.00 ATOM 320 CA THR 305 33.779 27.925 4.193 1.00 1.00 ATOM 321 CA LYS 306 30.260 26.565 4.713 1.00 1.00 ATOM 322 CA ASP 307 31.445 23.720 7.001 1.00 1.00 ATOM 323 CA GLY 308 34.293 25.766 8.559 1.00 1.00 ATOM 324 CA LYS 309 36.856 23.149 7.540 1.00 1.00 ATOM 325 CA PRO 310 39.854 24.163 5.401 1.00 1.00 ATOM 326 CA TYR 311 40.468 23.660 1.706 1.00 1.00 ATOM 327 CA ILE 312 43.829 22.143 0.858 1.00 1.00 ATOM 328 CA GLY 313 43.927 20.235 -2.369 1.00 1.00 ATOM 329 CA ARG 314 44.942 20.324 -6.033 1.00 1.00 ATOM 330 CA HIS 315 42.779 22.408 -8.346 1.00 1.00 ATOM 331 CA PRO 316 40.221 19.876 -9.717 1.00 1.00 ATOM 332 CA GLU 317 41.120 20.800 -13.335 1.00 1.00 ATOM 333 CA ASP 318 44.845 21.441 -12.916 1.00 1.00 ATOM 334 CA SER 319 47.154 19.050 -11.136 1.00 1.00 ATOM 335 CA ARG 320 49.834 21.768 -11.250 1.00 1.00 ATOM 336 CA ILE 321 47.887 24.243 -9.096 1.00 1.00 ATOM 337 CA LEU 322 47.553 23.856 -5.344 1.00 1.00 ATOM 338 CA PHE 323 44.848 25.629 -3.385 1.00 1.00 ATOM 339 CA ALA 324 44.937 26.563 0.277 1.00 1.00 ATOM 340 CA ALA 325 41.877 28.575 1.428 1.00 1.00 ATOM 341 CA GLY 326 38.974 28.979 3.879 1.00 1.00 ATOM 342 CA HIS 327 40.864 28.534 7.107 1.00 1.00 ATOM 343 CA PHE 328 37.752 29.828 8.841 1.00 1.00 ATOM 344 CA ARG 329 39.438 31.592 11.720 1.00 1.00 ATOM 345 CA ASN 330 41.418 28.637 13.159 1.00 1.00 ATOM 346 CA GLY 331 44.167 27.882 10.670 1.00 1.00 ATOM 347 CA ILE 332 47.321 29.619 11.861 1.00 1.00 ATOM 348 CA LEU 333 48.294 26.892 14.325 1.00 1.00 ATOM 349 CA LEU 334 48.471 24.489 11.379 1.00 1.00 ATOM 350 CA ALA 335 50.385 26.800 9.032 1.00 1.00 ATOM 351 CA PRO 336 53.715 25.004 9.569 1.00 1.00 ATOM 352 CA ALA 337 52.122 21.624 8.813 1.00 1.00 ATOM 353 CA THR 338 50.180 23.155 5.933 1.00 1.00 ATOM 354 CA GLY 339 53.358 24.579 4.362 1.00 1.00 ATOM 355 CA ALA 340 54.774 21.059 4.370 1.00 1.00 ATOM 356 CA LEU 341 51.559 19.705 2.836 1.00 1.00 ATOM 357 CA ILE 342 51.506 22.388 0.136 1.00 1.00 ATOM 358 CA SER 343 55.166 21.701 -0.698 1.00 1.00 ATOM 359 CA ASP 344 54.419 17.995 -1.099 1.00 1.00 ATOM 360 CA LEU 345 51.355 18.665 -3.276 1.00 1.00 ATOM 361 CA ILE 346 53.242 21.079 -5.545 1.00 1.00 ATOM 362 CA MET 347 56.230 18.760 -5.990 1.00 1.00 ATOM 363 CA ASN 348 54.541 15.365 -6.163 1.00 1.00 ATOM 364 CA LYS 349 50.828 15.895 -6.617 1.00 1.00 ATOM 365 CA GLU 350 50.343 14.055 -3.329 1.00 1.00 ATOM 366 CA VAL 351 51.006 14.349 0.374 1.00 1.00 ATOM 367 CA ASN 352 51.857 11.891 3.140 1.00 1.00 ATOM 368 CA GLN 353 49.242 13.534 5.345 1.00 1.00 ATOM 369 CA ASP 354 45.586 12.504 5.280 1.00 1.00 ATOM 370 CA LEU 356 43.924 15.669 3.983 1.00 1.00 ATOM 371 CA HIS 357 40.659 14.128 2.819 1.00 1.00 ATOM 372 CA ALA 358 38.685 16.278 5.283 1.00 1.00 ATOM 373 CA PHE 359 39.977 19.320 3.369 1.00 1.00 ATOM 374 CA ARG 360 39.007 18.020 -0.073 1.00 1.00 ATOM 375 CA ILE 361 37.954 20.742 -2.523 1.00 1.00 ATOM 376 CA ASP 362 35.396 18.255 -3.897 1.00 1.00 ATOM 377 CA ARG 363 33.555 17.564 -0.638 1.00 1.00 TER END ################################ # # # END # # # ################################