From mailer@bialko.llnl.gov Wed Jun 26 12:04:18 2002 Date: Wed, 26 Jun 2002 12:04:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:37:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_490320_10973 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142SS007_1 Current information on models submitted in prediction T0142SS007 MODEL_INDEX PIN CODE DATE E-mail T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 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: 282 # Number of residues with nonzero confidence: 282 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0142 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-23034.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-4056//target-align-4056.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 35.9801 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-23034.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc48.10750/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: Tue Jun 25 12:54:24 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-4056//target-align-4056.a2m METHOD METHOD guide seq name: seed-seqs-23034.a2m(1), 282 bases, 599F3EED checksum. METHOD ###end 0 MODEL 1 G C 0.529 S C 0.57 P C 0.587 P C 0.544 A C 0.514 Q E 0.396 L E 0.533 S E 0.634 V E 0.705 H E 0.715 T E 0.704 V E 0.654 S E 0.607 W E 0.553 N C 0.45 S C 0.552 G C 0.652 H C 0.664 E C 0.634 R C 0.642 A C 0.665 P C 0.586 T C 0.506 N C 0.46 L H 0.444 E H 0.445 E H 0.472 L H 0.47 L H 0.438 G C 0.414 L C 0.489 N C 0.557 S C 0.589 G C 0.612 E C 0.633 T C 0.655 P C 0.573 D C 0.482 V E 0.612 I E 0.67 A E 0.677 V E 0.636 A E 0.522 V E 0.477 Q E 0.461 G E 0.398 F E 0.36 G C 0.407 F C 0.445 Q C 0.424 T C 0.473 D C 0.5 K C 0.554 P C 0.489 Q C 0.407 Q H 0.413 G C 0.432 P H 0.568 A H 0.608 C H 0.635 V H 0.663 K H 0.678 N H 0.679 F H 0.683 Q H 0.682 S H 0.661 L H 0.625 L H 0.543 T C 0.467 S C 0.596 K C 0.585 G C 0.543 Y E 0.355 T E 0.496 K E 0.531 L E 0.516 K E 0.437 N H 0.384 T H 0.475 I H 0.53 T H 0.591 E H 0.604 T H 0.598 M H 0.593 G H 0.582 L H 0.58 T H 0.564 V H 0.55 Y H 0.541 C H 0.492 L H 0.496 E H 0.553 K H 0.523 H H 0.546 L H 0.539 D H 0.508 Q H 0.493 N H 0.462 T C 0.397 L C 0.427 K C 0.471 N C 0.526 E C 0.487 T C 0.431 I E 0.395 I E 0.431 V E 0.425 T C 0.389 V C 0.462 D C 0.524 D C 0.487 Q C 0.498 K C 0.663 K C 0.642 S C 0.567 G C 0.511 G E 0.435 I E 0.575 V E 0.609 T E 0.619 S E 0.612 F E 0.621 T E 0.6 I E 0.549 Y C 0.4 N C 0.508 K C 0.406 R E 0.533 F E 0.598 S E 0.626 F E 0.646 T E 0.622 T E 0.537 S E 0.398 R C 0.422 M C 0.428 S C 0.502 D C 0.565 E C 0.619 D C 0.537 V C 0.481 T H 0.458 S H 0.531 T H 0.567 N H 0.589 T H 0.584 K H 0.624 Y H 0.654 A H 0.653 Y H 0.71 D H 0.714 T H 0.708 R H 0.692 L H 0.661 D H 0.576 Y C 0.557 S C 0.574 K C 0.539 K C 0.504 D C 0.485 D C 0.511 P C 0.569 S C 0.547 D C 0.492 F E 0.534 L E 0.63 F E 0.649 W E 0.619 I E 0.496 G C 0.508 D C 0.541 L C 0.382 N E 0.395 V E 0.5 R E 0.527 V E 0.47 E C 0.494 T C 0.597 N C 0.653 A H 0.514 T H 0.579 H H 0.624 A H 0.645 K H 0.664 S H 0.666 L H 0.661 V H 0.63 D H 0.588 Q H 0.622 N H 0.483 N C 0.463 I H 0.695 D H 0.699 G H 0.688 L H 0.66 M H 0.594 A H 0.626 F H 0.652 D H 0.674 Q H 0.688 L H 0.696 K H 0.678 K H 0.675 A H 0.645 K H 0.622 E H 0.553 Q C 0.522 K C 0.465 L H 0.387 F H 0.392 D C 0.421 G C 0.472 W C 0.456 T C 0.441 E C 0.424 P C 0.482 Q C 0.434 V C 0.434 T C 0.49 F C 0.508 K C 0.694 P C 0.717 T C 0.609 Y C 0.465 K E 0.422 F E 0.438 K C 0.517 P C 0.598 N C 0.669 T C 0.67 D C 0.665 E C 0.611 Y C 0.542 D C 0.52 L C 0.523 S C 0.57 A C 0.61 T C 0.681 P C 0.686 S C 0.569 W C 0.431 T C 0.432 D H 0.436 R H 0.418 A E 0.444 L E 0.495 Y E 0.446 K C 0.443 S C 0.552 G C 0.594 T C 0.582 G C 0.585 K C 0.534 T C 0.432 I E 0.448 Q E 0.482 P E 0.497 L E 0.469 S E 0.433 Y C 0.407 N C 0.501 S C 0.512 L C 0.475 T C 0.45 N C 0.37 Y E 0.447 K E 0.457 Q C 0.434 T C 0.611 E C 0.685 H C 0.688 R C 0.546 P C 0.472 V E 0.576 L E 0.608 A E 0.608 K E 0.626 F E 0.631 R E 0.593 V E 0.558 T E 0.439 L C 0.479 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:22:39 2002 Date: Thu, 25 Jul 2002 09:22:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:54:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_678582_14725 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS007_1 Current information on models submitted in prediction T0142TS007 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 casp5@bialko.llnl.gov T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1I9Y_A # Loading PARENT structure: 1i9y (chain: A) # Number of residues in PARENT structure: 336 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue C 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue K 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 134 # IMPORTANT NOTE! Not complete main chain atoms for residue R 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 145 # IMPORTANT NOTE! Not complete main chain atoms for residue T 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue D 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue S 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue W 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue N 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue G 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue M 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue K 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue A 204 # IMPORTANT NOTE! Not complete main chain atoms for residue K 205 # IMPORTANT NOTE! Not complete main chain atoms for residue E 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue E 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue F 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue K 225 # IMPORTANT NOTE! Not complete main chain atoms for residue F 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue W 241 # IMPORTANT NOTE! Not complete main chain atoms for residue T 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue R 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue P 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 260 # IMPORTANT NOTE! Not complete main chain atoms for residue N 261 # IMPORTANT NOTE! Not complete main chain atoms for residue S 262 # IMPORTANT NOTE! Not complete main chain atoms for residue L 263 # IMPORTANT NOTE! Not complete main chain atoms for residue N 265 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue H 271 # IMPORTANT NOTE! Not complete main chain atoms for residue R 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # IMPORTANT NOTE! Not complete main chain atoms for residue T 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 267 # Total number of atoms in model: 267 # Number of atoms with 1.0 occupancy: 267 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 267 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1I9Y_A ATOM 553 CA SER 2 -9.574 16.354 39.414 1.00 1.00 ATOM 554 CA PRO 3 -8.778 19.243 41.724 1.00 1.00 ATOM 555 CA PRO 4 -6.335 22.015 40.747 1.00 1.00 ATOM 556 CA ALA 5 -4.164 24.020 43.098 1.00 1.00 ATOM 557 CA GLN 6 -1.405 26.615 42.550 1.00 1.00 ATOM 558 CA LEU 7 1.884 25.992 44.433 1.00 1.00 ATOM 559 CA SER 8 4.368 28.826 45.018 1.00 1.00 ATOM 560 CA VAL 9 7.939 27.922 44.233 1.00 1.00 ATOM 561 CA HIS 10 11.045 29.941 45.076 1.00 1.00 ATOM 562 CA THR 11 14.199 29.007 43.261 1.00 1.00 ATOM 563 CA VAL 12 17.454 30.361 44.501 1.00 1.00 ATOM 564 CA SER 13 21.005 30.015 43.238 1.00 1.00 ATOM 565 CA TRP 14 24.402 31.103 44.580 1.00 1.00 ATOM 566 CA ASN 15 28.004 30.414 43.561 1.00 1.00 ATOM 567 CA SER 16 29.572 30.893 47.004 1.00 1.00 ATOM 568 CA GLY 17 33.207 31.068 45.995 1.00 1.00 ATOM 569 CA HIS 18 33.727 28.871 49.082 1.00 1.00 ATOM 570 CA GLU 19 32.401 31.513 51.513 1.00 1.00 ATOM 571 CA ARG 20 31.183 30.504 54.921 1.00 1.00 ATOM 572 CA ALA 21 27.691 29.409 55.654 1.00 1.00 ATOM 573 CA PRO 22 25.594 32.121 57.304 1.00 1.00 ATOM 574 CA THR 23 21.969 32.812 58.054 1.00 1.00 ATOM 575 CA ASN 24 22.459 36.401 56.835 1.00 1.00 ATOM 576 CA LEU 25 20.673 35.757 53.553 1.00 1.00 ATOM 577 CA GLU 26 17.405 37.607 54.087 1.00 1.00 ATOM 578 CA GLU 27 17.723 39.836 51.001 1.00 1.00 ATOM 579 CA LEU 28 18.250 36.701 49.004 1.00 1.00 ATOM 580 CA LEU 29 15.577 34.311 50.314 1.00 1.00 ATOM 581 CA GLY 30 12.857 36.845 51.334 1.00 1.00 ATOM 582 CA LEU 31 13.497 39.542 48.705 1.00 1.00 ATOM 583 CA ASN 32 9.922 40.311 47.925 1.00 1.00 ATOM 584 CA SER 33 7.181 41.753 50.091 1.00 1.00 ATOM 585 CA GLY 34 5.176 38.646 49.145 1.00 1.00 ATOM 586 CA GLU 35 4.036 35.495 50.921 1.00 1.00 ATOM 587 CA THR 36 6.514 32.782 51.810 1.00 1.00 ATOM 588 CA PRO 37 6.708 30.159 49.130 1.00 1.00 ATOM 589 CA ASP 38 5.419 26.621 49.503 1.00 1.00 ATOM 590 CA VAL 39 8.617 25.116 48.225 1.00 1.00 ATOM 591 CA ILE 40 12.130 26.605 48.334 1.00 1.00 ATOM 592 CA ALA 41 14.612 25.061 45.947 1.00 1.00 ATOM 593 CA VAL 42 18.178 26.196 46.701 1.00 1.00 ATOM 594 CA ALA 43 21.217 25.448 44.623 1.00 1.00 ATOM 595 CA VAL 44 24.754 26.292 45.646 1.00 1.00 ATOM 596 CA GLN 45 27.973 26.129 43.682 1.00 1.00 ATOM 597 CA GLY 46 31.493 26.179 45.074 1.00 1.00 ATOM 598 CA PHE 47 30.519 25.232 48.647 1.00 1.00 ATOM 599 CA GLY 48 34.258 24.733 48.544 1.00 1.00 ATOM 600 CA PHE 49 36.074 27.251 46.414 1.00 1.00 ATOM 601 CA GLN 50 37.486 25.805 43.225 1.00 1.00 ATOM 602 CA THR 51 41.131 26.109 42.122 1.00 1.00 ATOM 608 CA GLY 57 36.549 16.592 46.987 1.00 1.00 ATOM 615 CA PRO 58 25.014 20.639 56.039 1.00 1.00 ATOM 616 CA ALA 59 25.891 23.990 57.585 1.00 1.00 ATOM 617 CA CYS 60 24.140 25.721 54.659 1.00 1.00 ATOM 618 CA VAL 61 21.193 23.389 55.027 1.00 1.00 ATOM 619 CA LYS 62 21.041 24.288 58.690 1.00 1.00 ATOM 620 CA ASN 63 21.338 28.008 57.921 1.00 1.00 ATOM 621 CA PHE 64 18.539 27.907 55.341 1.00 1.00 ATOM 622 CA GLN 65 16.227 25.857 57.461 1.00 1.00 ATOM 623 CA SER 66 16.767 28.289 60.435 1.00 1.00 ATOM 624 CA LEU 67 15.987 31.249 58.195 1.00 1.00 ATOM 625 CA LEU 68 12.818 29.710 56.742 1.00 1.00 ATOM 626 CA THR 69 11.531 28.616 60.131 1.00 1.00 ATOM 627 CA SER 70 12.456 31.928 61.640 1.00 1.00 ATOM 628 CA LYS 71 9.783 33.421 59.404 1.00 1.00 ATOM 629 CA GLY 72 7.263 30.879 60.766 1.00 1.00 ATOM 635 CA TYR 73 9.509 24.181 56.761 1.00 1.00 ATOM 636 CA THR 74 11.226 20.846 56.459 1.00 1.00 ATOM 637 CA LYS 75 14.101 19.732 54.293 1.00 1.00 ATOM 638 CA LEU 76 12.720 17.248 51.855 1.00 1.00 ATOM 639 CA LYS 77 16.065 16.175 50.418 1.00 1.00 ATOM 640 CA ASN 78 19.474 17.544 49.324 1.00 1.00 ATOM 641 CA THR 79 22.052 16.204 46.890 1.00 1.00 ATOM 642 CA ILE 80 25.632 17.103 46.343 1.00 1.00 ATOM 643 CA THR 81 28.325 16.796 43.663 1.00 1.00 ATOM 644 CA GLU 82 31.659 18.042 44.880 1.00 1.00 ATOM 645 CA THR 83 30.909 21.721 45.653 1.00 1.00 ATOM 646 CA MET 84 27.522 21.857 43.908 1.00 1.00 ATOM 647 CA GLY 85 24.518 21.111 46.075 1.00 1.00 ATOM 648 CA LEU 86 20.738 21.196 45.766 1.00 1.00 ATOM 649 CA THR 87 18.414 21.289 48.748 1.00 1.00 ATOM 650 CA VAL 88 14.668 21.423 48.754 1.00 1.00 ATOM 651 CA TYR 89 12.478 22.683 51.590 1.00 1.00 ATOM 652 CA CYS 90 8.696 22.663 51.717 1.00 1.00 ATOM 653 CA LEU 91 6.047 23.674 54.197 1.00 1.00 ATOM 654 CA GLU 92 5.120 20.755 56.395 1.00 1.00 ATOM 655 CA LYS 93 1.538 21.056 55.089 1.00 1.00 ATOM 656 CA HIS 94 2.836 20.181 51.597 1.00 1.00 ATOM 657 CA LEU 95 4.431 16.915 52.673 1.00 1.00 ATOM 658 CA ASP 96 1.415 14.652 52.377 1.00 1.00 ATOM 659 CA GLN 97 1.141 15.747 48.735 1.00 1.00 ATOM 660 CA ASN 98 4.804 15.070 47.929 1.00 1.00 ATOM 661 CA THR 99 5.705 11.571 46.690 1.00 1.00 ATOM 662 CA LEU 100 8.341 9.576 44.787 1.00 1.00 ATOM 663 CA LYS 101 11.194 11.907 45.681 1.00 1.00 ATOM 666 CA ASN 102 20.782 11.973 41.292 1.00 1.00 ATOM 667 CA GLU 103 23.952 13.785 40.178 1.00 1.00 ATOM 668 CA THR 104 26.005 13.839 37.002 1.00 1.00 ATOM 669 CA ILE 105 29.547 15.067 36.631 1.00 1.00 ATOM 670 CA ILE 106 30.630 16.777 33.423 1.00 1.00 ATOM 671 CA VAL 107 33.313 15.300 31.191 1.00 1.00 ATOM 672 CA THR 108 35.158 16.708 28.160 1.00 1.00 ATOM 677 CA LYS 113 36.734 17.379 37.655 1.00 1.00 ATOM 678 CA LYS 114 34.561 19.474 39.882 1.00 1.00 ATOM 679 CA SER 115 31.761 20.446 37.544 1.00 1.00 ATOM 680 CA GLY 116 28.375 18.916 37.074 1.00 1.00 ATOM 681 CA GLY 117 24.827 18.721 38.187 1.00 1.00 ATOM 682 CA ILE 118 22.679 17.759 41.099 1.00 1.00 ATOM 683 CA VAL 119 19.025 16.966 40.616 1.00 1.00 ATOM 684 CA THR 120 15.934 16.191 42.649 1.00 1.00 ATOM 685 CA SER 121 12.442 15.365 41.368 1.00 1.00 ATOM 686 CA PHE 122 9.168 14.554 43.035 1.00 1.00 ATOM 687 CA THR 123 5.471 14.398 42.402 1.00 1.00 ATOM 688 CA ILE 124 3.283 17.034 44.039 1.00 1.00 ATOM 689 CA TYR 125 -0.064 15.181 43.984 1.00 1.00 ATOM 690 CA ASN 126 -0.260 14.060 40.320 1.00 1.00 ATOM 691 CA LYS 127 2.074 16.681 38.901 1.00 1.00 ATOM 692 CA ARG 128 5.765 15.892 38.278 1.00 1.00 ATOM 693 CA PHE 129 8.532 18.368 39.135 1.00 1.00 ATOM 694 CA SER 130 12.243 18.171 38.519 1.00 1.00 ATOM 695 CA PHE 131 14.877 20.554 39.804 1.00 1.00 ATOM 696 CA THR 132 18.439 20.677 38.579 1.00 1.00 ATOM 697 CA THR 133 21.292 22.874 39.683 1.00 1.00 ATOM 698 CA SER 134 24.649 22.802 37.911 1.00 1.00 ATOM 699 CA ARG 135 28.012 24.370 37.645 1.00 1.00 ATOM 700 CA MET 136 29.321 24.163 34.115 1.00 1.00 ATOM 701 CA SER 137 32.718 24.623 32.456 1.00 1.00 ATOM 702 CA ASP 138 34.498 27.849 33.324 1.00 1.00 ATOM 703 CA GLU 139 36.376 29.957 30.861 1.00 1.00 ATOM 704 CA ASP 140 35.746 32.945 28.671 1.00 1.00 ATOM 705 CA VAL 141 35.392 31.590 25.155 1.00 1.00 ATOM 706 CA THR 142 34.693 27.922 25.789 1.00 1.00 ATOM 707 CA SER 143 30.969 27.946 25.375 1.00 1.00 ATOM 708 CA THR 144 31.378 24.803 23.219 1.00 1.00 ATOM 709 CA ASN 145 32.450 22.924 26.308 1.00 1.00 ATOM 710 CA THR 146 29.512 24.434 28.190 1.00 1.00 ATOM 711 CA LYS 147 27.163 23.215 25.506 1.00 1.00 ATOM 712 CA TYR 148 28.684 19.761 25.722 1.00 1.00 ATOM 713 CA ALA 149 28.159 19.935 29.498 1.00 1.00 ATOM 714 CA TYR 150 24.502 20.642 28.939 1.00 1.00 ATOM 715 CA ASP 151 24.288 17.576 26.732 1.00 1.00 ATOM 716 CA THR 152 26.298 15.299 29.040 1.00 1.00 ATOM 717 CA ARG 153 24.022 16.228 31.886 1.00 1.00 ATOM 718 CA LEU 154 20.697 16.188 30.067 1.00 1.00 ATOM 719 CA ASP 155 21.487 12.693 28.708 1.00 1.00 ATOM 725 CA TYR 156 14.459 2.975 36.773 1.00 1.00 ATOM 726 CA SER 157 16.180 5.231 34.246 1.00 1.00 ATOM 727 CA LYS 158 13.667 8.081 34.698 1.00 1.00 ATOM 728 CA LYS 159 15.042 11.158 32.868 1.00 1.00 ATOM 729 CA ASP 160 14.759 14.831 33.711 1.00 1.00 ATOM 730 CA ASP 161 12.382 15.499 30.832 1.00 1.00 ATOM 731 CA PRO 162 9.666 13.146 32.050 1.00 1.00 ATOM 732 CA SER 163 8.043 15.872 34.174 1.00 1.00 ATOM 733 CA ASP 164 5.410 18.574 33.971 1.00 1.00 ATOM 734 CA PHE 165 7.801 21.210 35.295 1.00 1.00 ATOM 735 CA LEU 166 11.599 21.298 35.103 1.00 1.00 ATOM 736 CA PHE 167 13.733 24.176 36.476 1.00 1.00 ATOM 737 CA TRP 168 17.420 23.925 35.684 1.00 1.00 ATOM 738 CA ILE 169 19.643 26.598 37.063 1.00 1.00 ATOM 739 CA GLY 170 22.996 27.532 38.509 1.00 1.00 ATOM 740 CA ASP 171 26.387 28.796 37.434 1.00 1.00 ATOM 741 CA LEU 172 26.247 27.864 33.759 1.00 1.00 ATOM 742 CA ASN 173 29.283 30.028 33.281 1.00 1.00 ATOM 743 CA VAL 174 28.224 31.420 29.905 1.00 1.00 ATOM 744 CA ARG 175 29.734 34.834 29.239 1.00 1.00 ATOM 745 CA VAL 176 29.249 38.173 27.552 1.00 1.00 ATOM 746 CA GLU 177 31.392 38.114 24.432 1.00 1.00 ATOM 747 CA THR 178 32.872 41.628 24.715 1.00 1.00 ATOM 748 CA ASN 179 35.977 42.928 26.542 1.00 1.00 ATOM 749 CA ALA 180 36.104 44.190 30.069 1.00 1.00 ATOM 750 CA THR 181 36.466 47.837 28.842 1.00 1.00 ATOM 751 CA HIS 182 33.334 47.587 26.700 1.00 1.00 ATOM 752 CA ALA 183 31.273 45.814 29.290 1.00 1.00 ATOM 753 CA LYS 184 31.870 47.731 32.477 1.00 1.00 ATOM 754 CA SER 185 30.693 51.128 31.272 1.00 1.00 ATOM 755 CA LEU 186 27.700 49.534 29.574 1.00 1.00 ATOM 756 CA VAL 187 26.577 47.971 32.742 1.00 1.00 ATOM 757 CA ASP 188 27.219 51.309 34.641 1.00 1.00 ATOM 758 CA GLN 189 25.000 53.007 32.051 1.00 1.00 ATOM 759 CA ASN 190 22.278 50.461 32.231 1.00 1.00 ATOM 760 CA ASN 191 22.817 49.131 28.661 1.00 1.00 ATOM 761 CA ILE 192 21.819 45.602 29.614 1.00 1.00 ATOM 762 CA ASP 193 19.886 44.901 26.409 1.00 1.00 ATOM 763 CA GLY 194 22.994 45.657 24.409 1.00 1.00 ATOM 764 CA LEU 195 25.065 43.422 26.627 1.00 1.00 ATOM 765 CA MET 196 22.440 40.694 26.316 1.00 1.00 ATOM 766 CA ALA 197 23.029 40.586 22.546 1.00 1.00 ATOM 767 CA PHE 198 26.476 39.326 23.365 1.00 1.00 ATOM 768 CA ASP 199 25.423 36.831 26.001 1.00 1.00 ATOM 769 CA GLN 200 26.614 33.335 25.122 1.00 1.00 ATOM 770 CA LEU 201 23.741 31.448 26.775 1.00 1.00 ATOM 772 CA LYS 202 22.986 32.822 21.613 1.00 1.00 ATOM 773 CA LYS 203 23.256 29.046 22.197 1.00 1.00 ATOM 774 CA ALA 204 19.632 28.712 23.314 1.00 1.00 ATOM 775 CA LYS 205 18.315 30.659 20.343 1.00 1.00 ATOM 776 CA GLU 206 19.910 28.044 18.071 1.00 1.00 ATOM 777 CA GLN 207 18.367 25.208 20.087 1.00 1.00 ATOM 778 CA LYS 208 21.806 23.665 20.758 1.00 1.00 ATOM 779 CA LEU 209 21.293 23.883 24.572 1.00 1.00 ATOM 780 CA PHE 210 18.361 23.865 26.892 1.00 1.00 ATOM 781 CA ASP 211 15.709 23.346 24.110 1.00 1.00 ATOM 782 CA GLY 212 12.195 24.208 25.269 1.00 1.00 ATOM 783 CA TRP 213 13.501 26.099 28.277 1.00 1.00 ATOM 784 CA THR 214 12.655 29.700 28.754 1.00 1.00 ATOM 785 CA GLU 215 14.368 32.371 30.747 1.00 1.00 ATOM 786 CA PRO 216 12.563 35.477 31.936 1.00 1.00 ATOM 787 CA GLN 217 14.060 38.688 30.597 1.00 1.00 ATOM 788 CA VAL 218 17.132 39.723 32.557 1.00 1.00 ATOM 789 CA THR 219 16.827 43.130 34.103 1.00 1.00 ATOM 790 CA PHE 220 19.637 42.850 36.669 1.00 1.00 ATOM 791 CA LYS 221 23.340 43.483 36.033 1.00 1.00 ATOM 792 CA PRO 222 25.949 40.713 35.329 1.00 1.00 ATOM 793 CA THR 223 26.192 38.778 38.574 1.00 1.00 ATOM 794 CA TYR 224 29.760 37.843 38.041 1.00 1.00 ATOM 795 CA LYS 225 33.067 38.834 38.860 1.00 1.00 ATOM 796 CA PHE 226 32.815 41.217 41.712 1.00 1.00 ATOM 797 CA LYS 227 35.670 42.155 44.087 1.00 1.00 ATOM 798 CA PRO 228 34.451 40.464 47.247 1.00 1.00 ATOM 799 CA ASN 229 32.388 42.733 49.505 1.00 1.00 ATOM 800 CA THR 230 31.991 45.478 46.934 1.00 1.00 ATOM 801 CA ASP 231 29.841 46.766 44.067 1.00 1.00 ATOM 802 CA GLU 232 32.984 46.760 41.976 1.00 1.00 ATOM 803 CA TYR 233 33.730 44.469 39.064 1.00 1.00 ATOM 804 CA ASP 234 36.929 42.459 39.195 1.00 1.00 ATOM 808 CA LEU 235 42.903 38.839 35.962 1.00 1.00 ATOM 809 CA SER 236 40.601 41.534 34.477 1.00 1.00 ATOM 810 CA ALA 237 37.578 38.925 34.249 1.00 1.00 ATOM 811 CA THR 238 34.879 40.258 31.939 1.00 1.00 ATOM 812 CA PRO 239 31.538 40.682 33.722 1.00 1.00 ATOM 813 CA SER 240 28.954 38.068 32.771 1.00 1.00 ATOM 814 CA TRP 241 25.519 36.665 33.553 1.00 1.00 ATOM 815 CA THR 242 27.039 33.325 34.679 1.00 1.00 ATOM 816 CA ASP 243 24.149 32.634 37.034 1.00 1.00 ATOM 817 CA ARG 244 20.821 31.611 35.592 1.00 1.00 ATOM 818 CA ALA 245 17.475 30.059 36.074 1.00 1.00 ATOM 819 CA LEU 246 15.680 28.431 33.178 1.00 1.00 ATOM 820 CA TYR 247 12.356 26.551 33.177 1.00 1.00 ATOM 821 CA LYS 248 10.569 24.048 30.981 1.00 1.00 ATOM 822 CA LYS 253 6.839 23.398 31.209 1.00 1.00 ATOM 823 CA THR 254 3.793 25.465 32.077 1.00 1.00 ATOM 824 CA ILE 255 5.120 27.173 35.186 1.00 1.00 ATOM 825 CA GLN 256 3.951 30.727 35.654 1.00 1.00 ATOM 826 CA PRO 257 7.091 32.836 36.170 1.00 1.00 ATOM 827 CA LEU 258 6.964 35.912 38.316 1.00 1.00 ATOM 828 CA SER 259 10.336 37.304 39.418 1.00 1.00 ATOM 829 CA TYR 260 13.914 36.816 38.270 1.00 1.00 ATOM 830 CA ASN 261 16.432 38.957 40.070 1.00 1.00 ATOM 831 CA SER 262 19.951 39.143 41.494 1.00 1.00 ATOM 832 CA LEU 263 20.283 40.193 45.118 1.00 1.00 ATOM 833 CA ASN 265 22.887 42.318 46.709 1.00 1.00 ATOM 834 CA TYR 266 24.795 39.805 48.861 1.00 1.00 ATOM 835 CA LYS 267 28.584 40.405 48.930 1.00 1.00 ATOM 836 CA GLN 268 30.145 37.272 50.434 1.00 1.00 ATOM 837 CA THR 269 31.174 35.988 47.041 1.00 1.00 ATOM 838 CA GLU 270 32.579 37.128 43.707 1.00 1.00 ATOM 839 CA HIS 271 29.056 36.311 42.349 1.00 1.00 ATOM 840 CA ARG 272 25.766 37.791 43.365 1.00 1.00 ATOM 841 CA PRO 273 23.087 35.262 44.244 1.00 1.00 ATOM 842 CA VAL 274 19.866 35.171 42.160 1.00 1.00 ATOM 843 CA LEU 275 16.329 33.867 42.493 1.00 1.00 ATOM 844 CA ALA 276 13.245 33.291 40.393 1.00 1.00 ATOM 845 CA LYS 277 9.663 32.679 41.541 1.00 1.00 ATOM 846 CA PHE 278 6.975 30.525 40.011 1.00 1.00 ATOM 847 CA ARG 279 3.410 29.429 40.554 1.00 1.00 ATOM 848 CA VAL 280 3.021 25.808 39.550 1.00 1.00 ATOM 849 CA THR 281 -0.435 24.460 38.898 1.00 1.00 ATOM 850 CA LEU 282 -0.855 21.126 40.551 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:23:39 2002 Date: Thu, 25 Jul 2002 09:23:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:56:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_693887_14730 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS007_2 Current information on models submitted in prediction T0142TS007 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1I9Z_A # Loading PARENT structure: 1i9z (chain: A) # Number of residues in PARENT structure: 336 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue C 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue K 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 134 # IMPORTANT NOTE! Not complete main chain atoms for residue R 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 145 # IMPORTANT NOTE! Not complete main chain atoms for residue T 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue D 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue S 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue W 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue N 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue G 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue M 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue K 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue A 204 # IMPORTANT NOTE! Not complete main chain atoms for residue K 205 # IMPORTANT NOTE! Not complete main chain atoms for residue E 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue E 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue F 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue K 225 # IMPORTANT NOTE! Not complete main chain atoms for residue F 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue W 241 # IMPORTANT NOTE! Not complete main chain atoms for residue T 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue R 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue P 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 260 # IMPORTANT NOTE! Not complete main chain atoms for residue N 261 # IMPORTANT NOTE! Not complete main chain atoms for residue S 262 # IMPORTANT NOTE! Not complete main chain atoms for residue L 263 # IMPORTANT NOTE! Not complete main chain atoms for residue N 265 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue H 271 # IMPORTANT NOTE! Not complete main chain atoms for residue R 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # IMPORTANT NOTE! Not complete main chain atoms for residue T 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 267 # Total number of atoms in model: 267 # Number of atoms with 1.0 occupancy: 267 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 267 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1I9Z_A ATOM 553 CA SER 2 -9.742 15.999 39.830 1.00 1.00 ATOM 554 CA PRO 3 -8.913 18.865 42.182 1.00 1.00 ATOM 555 CA PRO 4 -6.411 21.592 41.213 1.00 1.00 ATOM 556 CA ALA 5 -4.277 23.646 43.624 1.00 1.00 ATOM 557 CA GLN 6 -1.453 26.230 43.029 1.00 1.00 ATOM 558 CA LEU 7 1.769 25.627 44.995 1.00 1.00 ATOM 559 CA SER 8 4.277 28.547 45.424 1.00 1.00 ATOM 560 CA VAL 9 7.910 27.580 44.777 1.00 1.00 ATOM 561 CA HIS 10 11.004 29.651 45.606 1.00 1.00 ATOM 562 CA THR 11 14.189 28.698 43.773 1.00 1.00 ATOM 563 CA VAL 12 17.477 30.033 45.023 1.00 1.00 ATOM 564 CA SER 13 21.037 29.705 43.732 1.00 1.00 ATOM 565 CA TRP 14 24.417 30.764 45.137 1.00 1.00 ATOM 566 CA ASN 15 28.009 30.085 44.051 1.00 1.00 ATOM 567 CA SER 16 29.660 30.585 47.498 1.00 1.00 ATOM 568 CA GLY 17 33.314 30.700 46.541 1.00 1.00 ATOM 569 CA HIS 18 33.811 28.483 49.629 1.00 1.00 ATOM 570 CA GLU 19 32.492 31.110 52.083 1.00 1.00 ATOM 571 CA ARG 20 31.266 30.102 55.523 1.00 1.00 ATOM 572 CA ALA 21 27.724 29.059 56.342 1.00 1.00 ATOM 573 CA PRO 22 25.665 31.822 57.979 1.00 1.00 ATOM 574 CA THR 23 22.002 32.524 58.728 1.00 1.00 ATOM 575 CA ASN 24 22.498 36.094 57.539 1.00 1.00 ATOM 576 CA LEU 25 20.688 35.459 54.224 1.00 1.00 ATOM 577 CA GLU 26 17.423 37.319 54.773 1.00 1.00 ATOM 578 CA GLU 27 17.838 39.529 51.669 1.00 1.00 ATOM 579 CA LEU 28 18.241 36.422 49.580 1.00 1.00 ATOM 580 CA LEU 29 15.589 34.025 50.841 1.00 1.00 ATOM 581 CA GLY 30 12.883 36.564 51.919 1.00 1.00 ATOM 582 CA LEU 31 13.505 39.242 49.259 1.00 1.00 ATOM 583 CA ASN 32 9.934 40.186 48.607 1.00 1.00 ATOM 584 CA SER 33 7.163 41.467 50.761 1.00 1.00 ATOM 585 CA GLY 34 5.069 38.393 49.882 1.00 1.00 ATOM 586 CA GLU 35 3.966 35.160 51.540 1.00 1.00 ATOM 587 CA THR 36 6.545 32.483 52.308 1.00 1.00 ATOM 588 CA PRO 37 6.621 29.788 49.640 1.00 1.00 ATOM 589 CA ASP 38 5.334 26.242 50.046 1.00 1.00 ATOM 590 CA VAL 39 8.590 24.787 48.735 1.00 1.00 ATOM 591 CA ILE 40 12.089 26.261 48.903 1.00 1.00 ATOM 592 CA ALA 41 14.624 24.756 46.462 1.00 1.00 ATOM 593 CA VAL 42 18.167 25.889 47.253 1.00 1.00 ATOM 594 CA ALA 43 21.232 25.107 45.194 1.00 1.00 ATOM 595 CA VAL 44 24.788 25.943 46.178 1.00 1.00 ATOM 596 CA GLN 45 28.006 25.836 44.176 1.00 1.00 ATOM 597 CA GLY 46 31.544 25.848 45.633 1.00 1.00 ATOM 598 CA PHE 47 30.595 24.837 49.200 1.00 1.00 ATOM 599 CA GLY 48 34.362 24.310 49.138 1.00 1.00 ATOM 600 CA PHE 49 36.186 26.946 47.044 1.00 1.00 ATOM 601 CA GLN 50 37.598 25.513 43.809 1.00 1.00 ATOM 602 CA THR 51 41.396 25.718 43.170 1.00 1.00 ATOM 608 CA GLY 57 36.679 15.710 47.634 1.00 1.00 ATOM 615 CA PRO 58 25.070 20.338 56.666 1.00 1.00 ATOM 616 CA ALA 59 26.024 23.706 58.238 1.00 1.00 ATOM 617 CA CYS 60 24.245 25.420 55.345 1.00 1.00 ATOM 618 CA VAL 61 21.247 23.091 55.770 1.00 1.00 ATOM 619 CA LYS 62 21.048 23.964 59.425 1.00 1.00 ATOM 620 CA ASN 63 21.332 27.674 58.575 1.00 1.00 ATOM 621 CA PHE 64 18.567 27.626 55.977 1.00 1.00 ATOM 622 CA GLN 65 16.275 25.555 58.171 1.00 1.00 ATOM 623 CA SER 66 16.788 27.949 61.147 1.00 1.00 ATOM 624 CA LEU 67 16.042 30.894 58.937 1.00 1.00 ATOM 625 CA LEU 68 12.869 29.396 57.402 1.00 1.00 ATOM 626 CA THR 69 11.505 28.323 60.793 1.00 1.00 ATOM 627 CA SER 70 12.412 31.658 62.326 1.00 1.00 ATOM 628 CA LYS 71 9.718 33.141 60.162 1.00 1.00 ATOM 629 CA GLY 72 7.272 30.520 61.532 1.00 1.00 ATOM 635 CA TYR 73 9.503 23.795 57.371 1.00 1.00 ATOM 636 CA THR 74 11.229 20.468 57.111 1.00 1.00 ATOM 637 CA LYS 75 14.084 19.380 54.824 1.00 1.00 ATOM 638 CA LEU 76 12.721 16.832 52.437 1.00 1.00 ATOM 639 CA LYS 77 16.099 15.819 51.046 1.00 1.00 ATOM 640 CA ASN 78 19.545 17.089 50.014 1.00 1.00 ATOM 641 CA THR 79 22.174 15.838 47.625 1.00 1.00 ATOM 642 CA ILE 80 25.786 16.742 46.878 1.00 1.00 ATOM 643 CA THR 81 28.419 16.387 44.123 1.00 1.00 ATOM 644 CA GLU 82 31.732 17.701 45.376 1.00 1.00 ATOM 645 CA THR 83 30.988 21.397 46.100 1.00 1.00 ATOM 646 CA MET 84 27.591 21.495 44.413 1.00 1.00 ATOM 647 CA GLY 85 24.554 20.803 46.614 1.00 1.00 ATOM 648 CA LEU 86 20.768 20.847 46.318 1.00 1.00 ATOM 649 CA THR 87 18.460 20.921 49.296 1.00 1.00 ATOM 650 CA VAL 88 14.683 21.089 49.290 1.00 1.00 ATOM 651 CA TYR 89 12.472 22.305 52.173 1.00 1.00 ATOM 652 CA CYS 90 8.652 22.371 52.300 1.00 1.00 ATOM 653 CA LEU 91 5.986 23.416 54.751 1.00 1.00 ATOM 654 CA GLU 92 5.119 20.498 57.071 1.00 1.00 ATOM 655 CA LYS 93 1.564 20.806 55.743 1.00 1.00 ATOM 656 CA HIS 94 2.763 19.901 52.238 1.00 1.00 ATOM 657 CA LEU 95 4.322 16.636 53.326 1.00 1.00 ATOM 658 CA ASP 96 1.271 14.358 52.961 1.00 1.00 ATOM 659 CA GLN 97 1.090 15.388 49.297 1.00 1.00 ATOM 660 CA ASN 98 4.740 14.636 48.486 1.00 1.00 ATOM 661 CA THR 99 5.656 11.177 47.294 1.00 1.00 ATOM 662 CA LEU 100 8.288 9.214 45.328 1.00 1.00 ATOM 663 CA LYS 101 11.156 11.520 46.230 1.00 1.00 ATOM 666 CA ASN 102 20.816 11.538 41.839 1.00 1.00 ATOM 667 CA GLU 103 23.969 13.320 40.654 1.00 1.00 ATOM 668 CA THR 104 26.056 13.397 37.490 1.00 1.00 ATOM 669 CA ILE 105 29.591 14.649 37.065 1.00 1.00 ATOM 670 CA ILE 106 30.574 16.415 33.858 1.00 1.00 ATOM 671 CA VAL 107 33.204 14.879 31.649 1.00 1.00 ATOM 672 CA THR 108 34.858 16.269 28.540 1.00 1.00 ATOM 677 CA LYS 113 36.839 17.035 38.210 1.00 1.00 ATOM 678 CA LYS 114 34.636 19.193 40.393 1.00 1.00 ATOM 679 CA SER 115 31.776 20.116 37.961 1.00 1.00 ATOM 680 CA GLY 116 28.406 18.483 37.604 1.00 1.00 ATOM 681 CA GLY 117 24.803 18.300 38.652 1.00 1.00 ATOM 682 CA ILE 118 22.636 17.340 41.613 1.00 1.00 ATOM 683 CA VAL 119 18.969 16.537 41.090 1.00 1.00 ATOM 684 CA THR 120 15.914 15.742 43.245 1.00 1.00 ATOM 685 CA SER 121 12.427 14.946 41.868 1.00 1.00 ATOM 686 CA PHE 122 9.127 14.142 43.533 1.00 1.00 ATOM 687 CA THR 123 5.403 14.004 42.896 1.00 1.00 ATOM 688 CA ILE 124 3.175 16.607 44.543 1.00 1.00 ATOM 689 CA TYR 125 -0.174 14.805 44.496 1.00 1.00 ATOM 690 CA ASN 126 -0.286 13.596 40.867 1.00 1.00 ATOM 691 CA LYS 127 1.994 16.261 39.395 1.00 1.00 ATOM 692 CA ARG 128 5.718 15.443 38.834 1.00 1.00 ATOM 693 CA PHE 129 8.472 17.985 39.585 1.00 1.00 ATOM 694 CA SER 130 12.184 17.749 38.961 1.00 1.00 ATOM 695 CA PHE 131 14.819 20.130 40.270 1.00 1.00 ATOM 696 CA THR 132 18.397 20.269 39.075 1.00 1.00 ATOM 697 CA THR 133 21.253 22.489 40.180 1.00 1.00 ATOM 698 CA SER 134 24.659 22.466 38.369 1.00 1.00 ATOM 699 CA ARG 135 28.091 23.984 38.113 1.00 1.00 ATOM 700 CA MET 136 29.328 23.823 34.535 1.00 1.00 ATOM 701 CA SER 137 32.729 24.213 32.884 1.00 1.00 ATOM 702 CA ASP 138 34.533 27.492 33.687 1.00 1.00 ATOM 703 CA GLU 139 36.301 29.535 31.074 1.00 1.00 ATOM 704 CA ASP 140 35.776 32.625 28.979 1.00 1.00 ATOM 705 CA VAL 141 35.495 31.192 25.470 1.00 1.00 ATOM 706 CA THR 142 34.675 27.520 26.059 1.00 1.00 ATOM 707 CA SER 143 30.976 27.571 25.626 1.00 1.00 ATOM 708 CA THR 144 31.267 24.414 23.469 1.00 1.00 ATOM 709 CA ASN 145 32.415 22.600 26.620 1.00 1.00 ATOM 710 CA THR 146 29.455 23.999 28.634 1.00 1.00 ATOM 711 CA LYS 147 27.091 22.842 25.878 1.00 1.00 ATOM 712 CA TYR 148 28.715 19.403 26.084 1.00 1.00 ATOM 713 CA ALA 149 28.163 19.478 29.859 1.00 1.00 ATOM 714 CA TYR 150 24.493 20.156 29.282 1.00 1.00 ATOM 715 CA ASP 151 24.200 17.150 27.018 1.00 1.00 ATOM 716 CA THR 152 26.215 14.941 29.402 1.00 1.00 ATOM 717 CA ARG 153 23.958 15.789 32.293 1.00 1.00 ATOM 718 CA LEU 154 20.647 15.685 30.418 1.00 1.00 ATOM 719 CA ASP 155 21.512 12.175 29.116 1.00 1.00 ATOM 725 CA TYR 156 14.520 2.541 37.331 1.00 1.00 ATOM 726 CA SER 157 16.074 4.740 34.651 1.00 1.00 ATOM 727 CA LYS 158 13.638 7.659 35.146 1.00 1.00 ATOM 728 CA LYS 159 15.029 10.762 33.306 1.00 1.00 ATOM 729 CA ASP 160 14.743 14.422 34.141 1.00 1.00 ATOM 730 CA ASP 161 12.329 15.031 31.265 1.00 1.00 ATOM 731 CA PRO 162 9.650 12.671 32.467 1.00 1.00 ATOM 732 CA SER 163 8.039 15.447 34.626 1.00 1.00 ATOM 733 CA ASP 164 5.315 18.110 34.334 1.00 1.00 ATOM 734 CA PHE 165 7.722 20.779 35.643 1.00 1.00 ATOM 735 CA LEU 166 11.543 20.871 35.540 1.00 1.00 ATOM 736 CA PHE 167 13.695 23.760 36.930 1.00 1.00 ATOM 737 CA TRP 168 17.389 23.532 36.082 1.00 1.00 ATOM 738 CA ILE 169 19.656 26.202 37.484 1.00 1.00 ATOM 739 CA GLY 170 22.995 27.223 38.966 1.00 1.00 ATOM 740 CA ASP 171 26.382 28.526 37.838 1.00 1.00 ATOM 741 CA LEU 172 26.188 27.502 34.200 1.00 1.00 ATOM 742 CA ASN 173 29.283 29.652 33.619 1.00 1.00 ATOM 743 CA VAL 174 28.199 31.135 30.308 1.00 1.00 ATOM 744 CA ARG 175 29.825 34.505 29.631 1.00 1.00 ATOM 745 CA VAL 176 29.288 37.850 27.840 1.00 1.00 ATOM 746 CA GLU 177 31.518 37.777 24.750 1.00 1.00 ATOM 747 CA THR 178 32.931 41.341 25.041 1.00 1.00 ATOM 748 CA ASN 179 36.072 42.649 26.878 1.00 1.00 ATOM 749 CA ALA 180 36.184 43.904 30.476 1.00 1.00 ATOM 750 CA THR 181 36.566 47.481 29.284 1.00 1.00 ATOM 751 CA HIS 182 33.530 47.249 27.041 1.00 1.00 ATOM 752 CA ALA 183 31.358 45.501 29.611 1.00 1.00 ATOM 753 CA LYS 184 31.942 47.457 32.823 1.00 1.00 ATOM 754 CA SER 185 30.759 50.861 31.595 1.00 1.00 ATOM 755 CA LEU 186 27.801 49.303 29.886 1.00 1.00 ATOM 756 CA VAL 187 26.827 47.816 33.199 1.00 1.00 ATOM 757 CA ASP 188 27.300 51.112 34.983 1.00 1.00 ATOM 758 CA GLN 189 25.087 52.732 32.359 1.00 1.00 ATOM 759 CA ASN 190 22.299 50.190 32.559 1.00 1.00 ATOM 760 CA ASN 191 22.809 48.893 29.014 1.00 1.00 ATOM 761 CA ILE 192 21.781 45.350 29.919 1.00 1.00 ATOM 762 CA ASP 193 19.847 44.696 26.682 1.00 1.00 ATOM 763 CA GLY 194 22.989 45.414 24.685 1.00 1.00 ATOM 764 CA LEU 195 25.063 43.127 26.834 1.00 1.00 ATOM 765 CA MET 196 22.518 40.301 26.616 1.00 1.00 ATOM 766 CA ALA 197 23.035 40.339 22.833 1.00 1.00 ATOM 767 CA PHE 198 26.453 38.998 23.615 1.00 1.00 ATOM 768 CA ASP 199 25.420 36.466 26.300 1.00 1.00 ATOM 769 CA GLN 200 26.599 32.943 25.342 1.00 1.00 ATOM 770 CA LEU 201 23.738 31.123 27.019 1.00 1.00 ATOM 772 CA LYS 202 22.946 32.513 21.907 1.00 1.00 ATOM 773 CA LYS 203 23.120 28.708 22.428 1.00 1.00 ATOM 774 CA ALA 204 19.552 28.374 23.637 1.00 1.00 ATOM 775 CA LYS 205 18.285 30.268 20.565 1.00 1.00 ATOM 776 CA GLU 206 19.684 27.581 18.290 1.00 1.00 ATOM 777 CA GLN 207 18.141 24.679 20.268 1.00 1.00 ATOM 778 CA LYS 208 21.686 23.369 20.975 1.00 1.00 ATOM 779 CA LEU 209 21.236 23.526 24.807 1.00 1.00 ATOM 780 CA PHE 210 18.282 23.493 27.181 1.00 1.00 ATOM 781 CA ASP 211 15.682 23.000 24.430 1.00 1.00 ATOM 782 CA GLY 212 12.158 23.851 25.505 1.00 1.00 ATOM 783 CA TRP 213 13.487 25.684 28.574 1.00 1.00 ATOM 784 CA THR 214 12.598 29.322 29.134 1.00 1.00 ATOM 785 CA GLU 215 14.300 32.109 31.043 1.00 1.00 ATOM 786 CA PRO 216 12.564 35.248 32.241 1.00 1.00 ATOM 787 CA GLN 217 14.097 38.470 30.863 1.00 1.00 ATOM 788 CA VAL 218 17.158 39.484 32.939 1.00 1.00 ATOM 789 CA THR 219 16.804 42.896 34.527 1.00 1.00 ATOM 790 CA PHE 220 19.663 42.520 37.016 1.00 1.00 ATOM 791 CA LYS 221 23.374 43.191 36.456 1.00 1.00 ATOM 792 CA PRO 222 25.974 40.403 35.744 1.00 1.00 ATOM 793 CA THR 223 26.330 38.469 38.989 1.00 1.00 ATOM 794 CA TYR 224 29.931 37.640 38.398 1.00 1.00 ATOM 795 CA LYS 225 33.051 38.666 39.134 1.00 1.00 ATOM 796 CA PHE 226 32.953 40.965 42.112 1.00 1.00 ATOM 797 CA LYS 227 35.705 41.862 44.617 1.00 1.00 ATOM 798 CA PRO 228 34.511 40.154 47.797 1.00 1.00 ATOM 799 CA ASN 229 32.514 42.468 50.147 1.00 1.00 ATOM 800 CA THR 230 32.040 45.234 47.560 1.00 1.00 ATOM 801 CA ASP 231 29.960 46.493 44.568 1.00 1.00 ATOM 802 CA GLU 232 33.078 46.496 42.449 1.00 1.00 ATOM 803 CA TYR 233 33.793 44.210 39.494 1.00 1.00 ATOM 804 CA ASP 234 37.042 42.255 39.654 1.00 1.00 ATOM 808 CA LEU 235 43.055 38.641 36.307 1.00 1.00 ATOM 809 CA SER 236 40.694 41.284 34.863 1.00 1.00 ATOM 810 CA ALA 237 37.615 38.649 34.697 1.00 1.00 ATOM 811 CA THR 238 34.996 39.973 32.325 1.00 1.00 ATOM 812 CA PRO 239 31.602 40.343 34.086 1.00 1.00 ATOM 813 CA SER 240 28.965 37.766 33.173 1.00 1.00 ATOM 814 CA TRP 241 25.522 36.375 33.940 1.00 1.00 ATOM 815 CA THR 242 27.081 33.055 35.121 1.00 1.00 ATOM 816 CA ASP 243 24.117 32.274 37.493 1.00 1.00 ATOM 817 CA ARG 244 20.821 31.330 35.841 1.00 1.00 ATOM 818 CA ALA 245 17.472 29.706 36.497 1.00 1.00 ATOM 819 CA LEU 246 15.631 28.060 33.562 1.00 1.00 ATOM 820 CA TYR 247 12.315 26.143 33.603 1.00 1.00 ATOM 821 CA LYS 248 10.536 23.715 31.404 1.00 1.00 ATOM 822 CA LYS 253 6.832 22.952 31.524 1.00 1.00 ATOM 823 CA THR 254 3.805 25.040 32.458 1.00 1.00 ATOM 824 CA ILE 255 5.039 26.828 35.561 1.00 1.00 ATOM 825 CA GLN 256 3.847 30.420 35.989 1.00 1.00 ATOM 826 CA PRO 257 7.004 32.544 36.555 1.00 1.00 ATOM 827 CA LEU 258 6.957 35.593 38.682 1.00 1.00 ATOM 828 CA SER 259 10.262 37.062 39.867 1.00 1.00 ATOM 829 CA TYR 260 13.860 36.557 38.724 1.00 1.00 ATOM 830 CA ASN 261 16.481 38.633 40.495 1.00 1.00 ATOM 831 CA SER 262 19.967 38.869 41.990 1.00 1.00 ATOM 832 CA LEU 263 20.310 39.992 45.629 1.00 1.00 ATOM 833 CA ASN 265 22.943 42.104 47.297 1.00 1.00 ATOM 834 CA TYR 266 24.881 39.578 49.480 1.00 1.00 ATOM 835 CA LYS 267 28.651 40.127 49.484 1.00 1.00 ATOM 836 CA GLN 268 30.197 36.979 50.945 1.00 1.00 ATOM 837 CA THR 269 31.289 35.660 47.573 1.00 1.00 ATOM 838 CA GLU 270 32.649 36.850 44.217 1.00 1.00 ATOM 839 CA HIS 271 29.166 35.967 42.832 1.00 1.00 ATOM 840 CA ARG 272 25.808 37.476 43.830 1.00 1.00 ATOM 841 CA PRO 273 23.095 34.969 44.756 1.00 1.00 ATOM 842 CA VAL 274 19.893 34.887 42.642 1.00 1.00 ATOM 843 CA LEU 275 16.344 33.573 42.979 1.00 1.00 ATOM 844 CA ALA 276 13.225 32.953 40.916 1.00 1.00 ATOM 845 CA LYS 277 9.625 32.410 42.047 1.00 1.00 ATOM 846 CA PHE 278 6.884 30.267 40.483 1.00 1.00 ATOM 847 CA ARG 279 3.311 29.160 40.936 1.00 1.00 ATOM 848 CA VAL 280 2.859 25.518 40.051 1.00 1.00 ATOM 849 CA THR 281 -0.572 24.128 39.316 1.00 1.00 ATOM 850 CA LEU 282 -0.975 20.746 40.989 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:24:18 2002 Date: Thu, 25 Jul 2002 09:24:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:56:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_684326_14732 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS007_3 Current information on models submitted in prediction T0142TS007 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_3 PIN_684326_14732 6269-7633-6117 07/25/02 08:56:38 casp5@bialko.llnl.gov T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_3 PIN_684326_14732 6269-7633-6117 07/25/02 08:56:38 casp5@bialko.llnl.gov T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1DE8_A # Loading PARENT structure: 1de8 (chain: A) # Number of residues in PARENT structure: 276 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 78 # Total number of atoms in model: 78 # Number of atoms with 1.0 occupancy: 78 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 78 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1DE8_A ATOM 58 CA ALA 5 94.636 12.501 110.397 1.00 1.00 ATOM 59 CA GLN 6 96.947 12.385 107.293 1.00 1.00 ATOM 60 CA LEU 7 99.317 14.994 105.910 1.00 1.00 ATOM 61 CA SER 8 97.899 17.895 103.955 1.00 1.00 ATOM 62 CA VAL 9 101.002 20.107 103.520 1.00 1.00 ATOM 63 CA HIS 10 104.698 19.437 102.825 1.00 1.00 ATOM 64 CA THR 11 107.237 22.185 103.316 1.00 1.00 ATOM 65 CA VAL 12 110.815 21.881 102.187 1.00 1.00 ATOM 66 CA SER 13 113.536 24.407 102.977 1.00 1.00 ATOM 67 CA TRP 14 117.100 24.407 101.716 1.00 1.00 ATOM 68 CA ASN 15 120.198 26.560 102.015 1.00 1.00 ATOM 69 CA SER 16 121.546 25.752 98.572 1.00 1.00 ATOM 70 CA GLY 17 124.838 27.666 98.757 1.00 1.00 ATOM 71 CA HIS 18 124.594 29.378 95.351 1.00 1.00 ATOM 72 CA GLU 19 121.266 28.794 93.584 1.00 1.00 ATOM 73 CA ARG 20 122.760 28.423 90.124 1.00 1.00 ATOM 74 CA ALA 21 125.471 25.960 91.149 1.00 1.00 ATOM 75 CA PRO 22 123.086 23.846 93.241 1.00 1.00 ATOM 76 CA THR 23 120.791 23.755 90.221 1.00 1.00 ATOM 77 CA ASN 24 123.513 22.319 87.953 1.00 1.00 ATOM 78 CA LEU 25 124.139 19.976 90.901 1.00 1.00 ATOM 79 CA GLU 26 120.754 18.317 90.118 1.00 1.00 ATOM 80 CA GLU 27 118.782 20.088 92.834 1.00 1.00 ATOM 81 CA LEU 28 115.483 20.379 90.959 1.00 1.00 ATOM 82 CA LEU 29 115.494 16.686 90.226 1.00 1.00 ATOM 83 CA GLY 30 115.381 16.187 93.996 1.00 1.00 ATOM 84 CA LEU 31 112.800 18.922 94.303 1.00 1.00 ATOM 85 CA ASN 32 110.529 17.459 91.618 1.00 1.00 ATOM 86 CA SER 33 111.282 14.166 93.364 1.00 1.00 ATOM 87 CA GLY 34 110.298 15.545 96.797 1.00 1.00 ATOM 88 CA GLU 35 107.108 17.272 95.660 1.00 1.00 ATOM 89 CA THR 36 106.889 19.732 98.546 1.00 1.00 ATOM 90 CA PRO 37 103.856 21.998 98.422 1.00 1.00 ATOM 91 CA ALA 41 106.212 24.797 99.408 1.00 1.00 ATOM 92 CA VAL 42 109.917 25.258 98.876 1.00 1.00 ATOM 93 CA ALA 43 111.957 27.864 100.715 1.00 1.00 ATOM 94 CA VAL 44 115.529 28.307 99.620 1.00 1.00 ATOM 95 CA GLN 45 118.299 30.098 101.493 1.00 1.00 ATOM 96 CA GLY 46 121.587 31.707 100.362 1.00 1.00 ATOM 97 CA PHE 47 120.377 31.829 96.773 1.00 1.00 ATOM 99 CA GLY 48 121.493 35.649 92.993 1.00 1.00 ATOM 100 CA PHE 49 119.296 38.408 91.559 1.00 1.00 ATOM 101 CA GLN 50 116.084 37.875 89.601 1.00 1.00 ATOM 102 CA THR 51 117.427 39.229 86.317 1.00 1.00 ATOM 103 CA ASP 52 119.606 36.104 86.226 1.00 1.00 ATOM 104 CA LYS 53 117.437 33.338 87.746 1.00 1.00 ATOM 105 CA PRO 54 117.955 29.979 85.918 1.00 1.00 ATOM 106 CA GLN 55 115.174 29.142 83.491 1.00 1.00 ATOM 107 CA GLN 56 114.401 25.647 84.881 1.00 1.00 ATOM 108 CA GLY 57 112.761 27.496 87.791 1.00 1.00 ATOM 109 CA PRO 58 109.557 28.563 86.058 1.00 1.00 ATOM 110 CA ALA 59 109.637 25.126 84.437 1.00 1.00 ATOM 111 CA CYS 60 109.011 23.730 87.943 1.00 1.00 ATOM 112 CA VAL 61 105.489 22.236 87.881 1.00 1.00 ATOM 113 CA LYS 62 103.777 22.423 91.277 1.00 1.00 ATOM 114 CA ASN 63 105.664 25.585 92.290 1.00 1.00 ATOM 115 CA PHE 64 104.182 28.030 89.777 1.00 1.00 ATOM 116 CA GLN 65 104.206 30.873 92.325 1.00 1.00 ATOM 117 CA SER 66 107.763 32.015 92.827 1.00 1.00 ATOM 118 CA LEU 67 108.932 34.893 95.013 1.00 1.00 ATOM 119 CA LEU 68 112.478 36.171 95.343 1.00 1.00 ATOM 120 CA THR 69 114.614 38.481 97.474 1.00 1.00 ATOM 281 CA SER 70 122.050 21.692 112.794 1.00 1.00 ATOM 282 CA LYS 71 121.430 25.295 111.697 1.00 1.00 ATOM 283 CA GLY 72 118.155 24.912 109.851 1.00 1.00 ATOM 284 CA TYR 73 114.842 24.664 111.687 1.00 1.00 ATOM 285 CA THR 74 111.084 24.488 111.463 1.00 1.00 ATOM 286 CA LYS 75 109.886 26.673 114.336 1.00 1.00 ATOM 287 CA LEU 76 106.130 26.681 114.421 1.00 1.00 ATOM 288 CA LYS 77 103.522 28.060 116.825 1.00 1.00 ATOM 289 CA ASN 78 102.305 25.850 119.680 1.00 1.00 ATOM 290 CA THR 79 98.899 25.403 118.049 1.00 1.00 ATOM 291 CA ILE 80 100.574 23.555 115.158 1.00 1.00 ATOM 292 CA THR 81 102.021 20.771 117.354 1.00 1.00 ATOM 293 CA GLU 82 98.846 18.596 117.512 1.00 1.00 ATOM 294 CA THR 83 99.007 18.759 113.730 1.00 1.00 ATOM 295 CA MET 84 102.779 18.249 113.584 1.00 1.00 ATOM 296 CA GLY 85 103.538 15.055 111.675 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:25:18 2002 Date: Thu, 25 Jul 2002 09:25:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:57:53 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_695831_14737 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS007_4 Current information on models submitted in prediction T0142TS007 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_4 PIN_695831_14737 6269-7633-6117 07/25/02 08:57:53 casp5@bialko.llnl.gov T0142TS007_3 PIN_684326_14732 6269-7633-6117 07/25/02 08:56:38 casp5@bialko.llnl.gov T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_3 PIN_684326_14732 6269-7633-6117 07/25/02 08:56:38 casp5@bialko.llnl.gov T0142TS007_4 PIN_695831_14737 6269-7633-6117 07/25/02 08:57:53 casp5@bialko.llnl.gov T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1DE8_B # Loading PARENT structure: 1de8 (chain: B) # Number of residues in PARENT structure: 276 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 78 # Total number of atoms in model: 78 # Number of atoms with 1.0 occupancy: 78 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 78 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1DE8_B ATOM 58 CA ALA 5 94.947 50.757 50.684 1.00 1.00 ATOM 59 CA GLN 6 96.466 51.327 54.179 1.00 1.00 ATOM 60 CA LEU 7 98.916 48.781 55.632 1.00 1.00 ATOM 61 CA SER 8 97.405 46.156 57.895 1.00 1.00 ATOM 62 CA VAL 9 100.446 44.033 58.687 1.00 1.00 ATOM 63 CA HIS 10 103.780 45.139 60.134 1.00 1.00 ATOM 64 CA THR 11 106.492 42.449 60.180 1.00 1.00 ATOM 65 CA VAL 12 110.023 42.851 61.463 1.00 1.00 ATOM 66 CA SER 13 112.841 40.419 60.986 1.00 1.00 ATOM 67 CA TRP 14 116.176 40.779 62.734 1.00 1.00 ATOM 68 CA ASN 15 119.292 38.672 62.895 1.00 1.00 ATOM 69 CA SER 16 120.055 39.275 66.544 1.00 1.00 ATOM 70 CA GLY 17 123.399 37.486 66.910 1.00 1.00 ATOM 71 CA HIS 18 122.713 36.253 70.424 1.00 1.00 ATOM 72 CA GLU 19 119.113 36.680 71.528 1.00 1.00 ATOM 73 CA ARG 20 120.340 37.076 75.106 1.00 1.00 ATOM 74 CA ALA 21 123.137 39.575 74.415 1.00 1.00 ATOM 75 CA PRO 22 120.620 41.414 72.252 1.00 1.00 ATOM 76 CA THR 23 117.999 41.390 74.976 1.00 1.00 ATOM 77 CA ASN 24 120.728 42.541 77.388 1.00 1.00 ATOM 78 CA LEU 25 121.567 45.362 74.980 1.00 1.00 ATOM 79 CA GLU 26 117.944 46.489 75.612 1.00 1.00 ATOM 80 CA GLU 27 116.787 45.207 72.268 1.00 1.00 ATOM 81 CA LEU 28 113.287 44.159 73.288 1.00 1.00 ATOM 82 CA LEU 29 112.546 47.824 73.932 1.00 1.00 ATOM 83 CA GLY 30 113.240 48.880 70.393 1.00 1.00 ATOM 84 CA LEU 31 111.044 45.921 69.448 1.00 1.00 ATOM 85 CA ASN 32 108.165 46.944 71.711 1.00 1.00 ATOM 86 CA SER 33 108.655 50.352 70.098 1.00 1.00 ATOM 87 CA GLY 34 108.336 49.084 66.511 1.00 1.00 ATOM 88 CA GLU 35 105.014 47.397 67.261 1.00 1.00 ATOM 89 CA THR 36 105.450 44.446 64.895 1.00 1.00 ATOM 90 CA PRO 37 102.563 42.019 64.475 1.00 1.00 ATOM 91 CA ALA 41 105.236 39.358 63.991 1.00 1.00 ATOM 92 CA VAL 42 108.895 39.394 64.991 1.00 1.00 ATOM 93 CA ALA 43 111.391 37.140 63.207 1.00 1.00 ATOM 94 CA VAL 44 114.790 36.691 64.853 1.00 1.00 ATOM 95 CA GLN 45 117.768 35.094 63.123 1.00 1.00 ATOM 96 CA GLY 46 120.848 33.928 65.129 1.00 1.00 ATOM 97 CA PHE 47 119.261 33.447 68.554 1.00 1.00 ATOM 99 CA GLY 48 120.222 30.011 72.783 1.00 1.00 ATOM 100 CA PHE 49 118.103 27.114 74.058 1.00 1.00 ATOM 101 CA GLN 50 114.484 26.961 75.170 1.00 1.00 ATOM 102 CA THR 51 116.016 25.741 78.442 1.00 1.00 ATOM 103 CA ASP 52 117.707 29.145 78.575 1.00 1.00 ATOM 104 CA LYS 53 115.059 31.385 76.938 1.00 1.00 ATOM 105 CA PRO 54 114.966 34.709 78.904 1.00 1.00 ATOM 106 CA GLN 55 112.165 36.066 81.056 1.00 1.00 ATOM 107 CA GLN 56 111.457 39.341 79.259 1.00 1.00 ATOM 108 CA GLY 57 110.671 37.323 76.160 1.00 1.00 ATOM 109 CA PRO 58 107.482 36.313 77.880 1.00 1.00 ATOM 110 CA ALA 59 106.510 39.837 79.076 1.00 1.00 ATOM 111 CA CYS 60 105.807 40.831 75.453 1.00 1.00 ATOM 112 CA VAL 61 101.950 40.846 75.295 1.00 1.00 ATOM 113 CA LYS 62 101.501 41.796 71.632 1.00 1.00 ATOM 114 CA ASN 63 103.768 38.878 70.638 1.00 1.00 ATOM 115 CA PHE 64 102.069 36.257 72.817 1.00 1.00 ATOM 116 CA GLN 65 102.547 33.207 70.581 1.00 1.00 ATOM 117 CA SER 66 106.212 32.122 70.506 1.00 1.00 ATOM 118 CA LEU 67 107.927 29.576 68.255 1.00 1.00 ATOM 119 CA LEU 68 111.582 28.540 68.588 1.00 1.00 ATOM 120 CA THR 69 114.129 26.422 66.736 1.00 1.00 ATOM 281 CA SER 70 122.348 44.244 52.596 1.00 1.00 ATOM 282 CA LYS 71 122.067 40.611 53.660 1.00 1.00 ATOM 283 CA GLY 72 118.531 40.622 55.061 1.00 1.00 ATOM 284 CA TYR 73 115.386 40.425 52.932 1.00 1.00 ATOM 285 CA THR 74 111.615 40.202 52.552 1.00 1.00 ATOM 286 CA LYS 75 111.100 38.056 49.476 1.00 1.00 ATOM 287 CA LEU 76 107.476 37.596 48.602 1.00 1.00 ATOM 288 CA LYS 77 105.178 36.238 45.879 1.00 1.00 ATOM 289 CA ASN 78 104.419 38.678 43.067 1.00 1.00 ATOM 290 CA THR 79 100.702 38.372 43.681 1.00 1.00 ATOM 291 CA ILE 80 101.533 40.294 46.876 1.00 1.00 ATOM 292 CA THR 81 103.448 43.160 45.272 1.00 1.00 ATOM 293 CA GLU 82 100.214 45.151 44.713 1.00 1.00 ATOM 294 CA THR 83 99.509 44.812 48.451 1.00 1.00 ATOM 295 CA MET 84 103.058 45.745 49.496 1.00 1.00 ATOM 296 CA GLY 85 102.963 49.063 51.240 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:24:08 2002 Date: Thu, 25 Jul 2002 09:24:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:56:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_682825_14731 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS007_5 Current information on models submitted in prediction T0142TS007 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS007_1 PIN_678582_14725 6269-7633-6117 07/25/02 08:54:54 casp5@bialko.llnl.gov T0142TS007_2 PIN_693887_14730 6269-7633-6117 07/25/02 08:56:07 casp5@bialko.llnl.gov T0142TS007_5 PIN_682825_14731 6269-7633-6117 07/25/02 08:56:23 casp5@bialko.llnl.gov T0142SS007_1 PIN_490320_10973 6269-7633-6117 06/26/02 11:37:32 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 T0142 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1DE9_A # Loading PARENT structure: 1de9 (chain: A) # Number of residues in PARENT structure: 276 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 78 # Total number of atoms in model: 78 # Number of atoms with 1.0 occupancy: 78 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 78 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1DE9_A ATOM 58 CA ALA 5 19.337 21.078 21.140 1.00 1.00 ATOM 59 CA GLN 6 20.301 22.025 24.720 1.00 1.00 ATOM 60 CA LEU 7 22.517 19.671 26.710 1.00 1.00 ATOM 61 CA SER 8 20.260 17.459 28.814 1.00 1.00 ATOM 62 CA VAL 9 23.035 15.580 30.655 1.00 1.00 ATOM 63 CA HIS 10 26.340 16.497 32.313 1.00 1.00 ATOM 64 CA THR 11 28.975 13.976 33.374 1.00 1.00 ATOM 65 CA VAL 12 32.102 14.894 35.272 1.00 1.00 ATOM 66 CA SER 13 35.085 12.551 35.600 1.00 1.00 ATOM 67 CA TRP 14 38.053 13.168 37.897 1.00 1.00 ATOM 68 CA ASN 15 41.159 11.323 39.111 1.00 1.00 ATOM 69 CA SER 16 41.544 12.572 42.678 1.00 1.00 ATOM 70 CA GLY 17 44.764 10.854 43.818 1.00 1.00 ATOM 71 CA HIS 18 43.313 10.056 47.241 1.00 1.00 ATOM 72 CA GLU 19 39.619 10.671 47.951 1.00 1.00 ATOM 73 CA ARG 20 39.911 11.801 51.577 1.00 1.00 ATOM 74 CA ALA 21 42.935 13.993 50.920 1.00 1.00 ATOM 75 CA PRO 22 40.971 15.508 48.027 1.00 1.00 ATOM 76 CA THR 23 37.905 16.358 50.134 1.00 1.00 ATOM 77 CA ASN 24 40.206 17.911 52.738 1.00 1.00 ATOM 78 CA LEU 25 41.377 20.126 49.879 1.00 1.00 ATOM 79 CA GLU 26 37.699 21.097 49.500 1.00 1.00 ATOM 80 CA GLU 27 37.169 19.069 46.341 1.00 1.00 ATOM 81 CA LEU 28 33.437 18.797 46.993 1.00 1.00 ATOM 82 CA LEU 29 32.994 22.574 47.031 1.00 1.00 ATOM 83 CA GLY 30 33.940 22.519 43.366 1.00 1.00 ATOM 84 CA LEU 31 31.822 19.502 42.417 1.00 1.00 ATOM 85 CA ASN 32 28.812 20.883 44.287 1.00 1.00 ATOM 86 CA SER 33 29.409 24.040 42.279 1.00 1.00 ATOM 87 CA GLY 34 29.836 22.351 38.881 1.00 1.00 ATOM 88 CA GLU 35 26.854 20.215 39.919 1.00 1.00 ATOM 89 CA THR 36 27.260 17.435 37.350 1.00 1.00 ATOM 90 CA PRO 37 24.401 15.019 36.698 1.00 1.00 ATOM 91 CA ALA 41 26.905 12.196 37.238 1.00 1.00 ATOM 92 CA VAL 42 30.259 12.077 38.995 1.00 1.00 ATOM 93 CA ALA 43 33.016 9.603 38.125 1.00 1.00 ATOM 94 CA VAL 44 36.172 9.390 40.209 1.00 1.00 ATOM 95 CA GLN 45 39.412 7.468 39.870 1.00 1.00 ATOM 96 CA GLY 46 42.162 6.677 42.443 1.00 1.00 ATOM 97 CA PHE 47 39.757 6.990 45.387 1.00 1.00 ATOM 99 CA GLY 48 39.200 4.235 50.210 1.00 1.00 ATOM 100 CA PHE 49 39.791 0.619 51.149 1.00 1.00 ATOM 101 CA GLN 50 38.941 1.082 54.848 1.00 1.00 ATOM 102 CA THR 51 35.181 0.439 54.258 1.00 1.00 ATOM 103 CA ASP 52 34.800 3.954 55.558 1.00 1.00 ATOM 104 CA LYS 53 33.929 6.647 53.042 1.00 1.00 ATOM 105 CA PRO 54 33.767 10.304 54.236 1.00 1.00 ATOM 106 CA GLN 55 30.614 11.688 55.855 1.00 1.00 ATOM 107 CA GLN 56 30.294 14.729 53.593 1.00 1.00 ATOM 108 CA GLY 57 29.544 12.229 50.790 1.00 1.00 ATOM 109 CA PRO 58 26.107 11.425 52.183 1.00 1.00 ATOM 110 CA ALA 59 25.602 15.188 52.346 1.00 1.00 ATOM 111 CA CYS 60 25.089 15.171 48.544 1.00 1.00 ATOM 112 CA VAL 61 21.465 15.410 47.310 1.00 1.00 ATOM 113 CA LYS 62 22.303 15.528 43.603 1.00 1.00 ATOM 114 CA ASN 63 24.449 12.406 43.702 1.00 1.00 ATOM 115 CA PHE 64 22.451 10.247 46.115 1.00 1.00 ATOM 116 CA GLN 65 22.947 7.007 44.188 1.00 1.00 ATOM 117 CA SER 66 26.631 6.226 44.745 1.00 1.00 ATOM 118 CA LEU 67 28.637 3.242 43.498 1.00 1.00 ATOM 119 CA LEU 68 32.158 2.164 44.407 1.00 1.00 ATOM 120 CA THR 69 34.753 -0.427 43.436 1.00 1.00 ATOM 281 CA SER 70 46.137 14.493 28.649 1.00 1.00 ATOM 282 CA LYS 71 45.197 11.161 30.247 1.00 1.00 ATOM 283 CA GLY 72 41.547 11.793 31.059 1.00 1.00 ATOM 284 CA TYR 73 39.124 11.143 28.208 1.00 1.00 ATOM 285 CA THR 74 35.463 10.959 27.278 1.00 1.00 ATOM 286 CA LYS 75 35.214 8.440 24.437 1.00 1.00 ATOM 287 CA LEU 76 31.807 8.167 22.768 1.00 1.00 ATOM 288 CA LYS 77 30.154 5.795 20.309 1.00 1.00 ATOM 289 CA ASN 78 29.766 7.405 16.869 1.00 1.00 ATOM 290 CA THR 79 25.955 7.546 17.215 1.00 1.00 ATOM 291 CA ILE 80 26.466 9.818 20.238 1.00 1.00 ATOM 292 CA THR 81 28.287 12.423 18.126 1.00 1.00 ATOM 293 CA GLU 82 25.076 14.241 17.091 1.00 1.00 ATOM 294 CA THR 83 24.275 14.329 20.813 1.00 1.00 ATOM 295 CA MET 84 27.659 15.885 21.647 1.00 1.00 ATOM 296 CA GLY 85 27.411 19.433 22.963 1.00 1.00 TER END ################################ # # # END # # # ################################