From mailer@bialko.llnl.gov Fri Jul 19 15:56:33 2002 Date: Fri, 19 Jul 2002 15:56:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 19 15:29:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_412217_12788 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158SS007_1 Current information on models submitted in prediction T0158SS007 MODEL_INDEX PIN CODE DATE E-mail T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 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: 319 # Number of residues with nonzero confidence: 319 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0158 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-8917.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-3630//target-align-3630.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 174.673 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-8917.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc64.10554/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Thu Jul 18 08:44:01 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-3630//target-align-3630.a2m METHOD METHOD guide seq name: seed-seqs-8917.a2m(1), 319 bases, CC189A69 checksum. METHOD ###end 0 MODEL 1 M C 0.494 K C 0.527 P C 0.502 E C 0.47 N C 0.444 K C 0.422 L C 0.46 P C 0.438 V C 0.415 L H 0.388 D H 0.382 L H 0.404 I H 0.427 S H 0.521 A H 0.589 E H 0.59 M H 0.587 K H 0.568 T H 0.527 V H 0.418 V C 0.457 N C 0.458 T C 0.447 L C 0.459 Q C 0.513 P C 0.569 D C 0.58 L C 0.576 P C 0.605 P C 0.551 W C 0.506 P C 0.498 A C 0.521 T C 0.562 G C 0.64 T C 0.612 I C 0.567 A C 0.54 E C 0.443 Q H 0.411 R H 0.436 Q H 0.472 Y H 0.465 Y H 0.427 T H 0.42 L H 0.421 E C 0.409 R C 0.418 R C 0.458 F C 0.52 W C 0.583 N C 0.631 A C 0.64 G C 0.641 A C 0.646 P C 0.634 E C 0.589 M C 0.492 A E 0.404 T E 0.467 R E 0.451 A E 0.408 Y E 0.404 M E 0.443 V E 0.476 P E 0.437 T C 0.47 K C 0.58 Y C 0.634 G C 0.669 Q C 0.568 V E 0.434 E E 0.543 T E 0.592 R E 0.596 L E 0.634 F E 0.611 C E 0.488 P C 0.58 Q C 0.706 P C 0.738 D C 0.742 S C 0.717 P C 0.637 A C 0.525 T E 0.689 L E 0.762 F E 0.788 Y E 0.771 L E 0.702 H E 0.485 G C 0.689 G C 0.657 G C 0.476 F E 0.441 I E 0.476 L E 0.405 G C 0.57 N C 0.639 L C 0.524 D C 0.512 T C 0.467 H C 0.434 D H 0.554 R H 0.628 I H 0.668 M H 0.68 R H 0.695 L H 0.695 L H 0.696 A H 0.687 S H 0.672 Y H 0.624 S H 0.481 Q C 0.611 C C 0.569 T E 0.592 V E 0.714 I E 0.708 G E 0.654 I E 0.589 D C 0.421 Y C 0.488 T C 0.523 L C 0.571 S C 0.72 P C 0.737 E C 0.67 A C 0.67 R C 0.673 F C 0.667 P C 0.633 Q C 0.438 A H 0.492 I H 0.637 E H 0.688 E H 0.716 I H 0.752 V H 0.761 A H 0.767 A H 0.766 C H 0.766 C H 0.764 Y H 0.755 F H 0.75 H H 0.743 Q H 0.72 Q H 0.668 A H 0.676 E H 0.663 D H 0.647 Y H 0.502 Q C 0.695 I C 0.701 N C 0.732 M C 0.624 S C 0.561 R E 0.413 I E 0.657 G E 0.698 F E 0.685 A E 0.565 G C 0.552 D C 0.635 S C 0.609 A H 0.494 G H 0.565 A H 0.636 M H 0.661 L H 0.7 A H 0.715 L H 0.728 A H 0.731 S H 0.73 A H 0.728 L H 0.716 W H 0.69 L H 0.672 R H 0.638 D H 0.585 K C 0.467 Q C 0.616 I C 0.624 D C 0.661 C C 0.638 G C 0.604 K C 0.534 V C 0.427 A E 0.444 G E 0.547 V E 0.606 L E 0.637 L E 0.625 W E 0.552 Y C 0.5 G C 0.599 L C 0.544 Y C 0.505 G C 0.547 L C 0.537 R C 0.552 D C 0.555 S C 0.574 V C 0.619 T C 0.49 R H 0.462 R H 0.556 L H 0.541 L H 0.535 G H 0.481 G C 0.451 V C 0.489 W C 0.532 D C 0.505 G C 0.474 L C 0.505 T C 0.58 Q H 0.649 Q H 0.665 D H 0.668 L H 0.684 Q H 0.694 M H 0.697 Y H 0.69 E H 0.688 E H 0.683 A H 0.649 Y H 0.569 L C 0.43 S C 0.607 N C 0.63 D C 0.635 A C 0.63 D C 0.646 R C 0.583 E C 0.59 S C 0.633 P C 0.534 Y C 0.476 Y C 0.482 C C 0.603 L C 0.558 F C 0.523 N C 0.559 N C 0.492 D C 0.489 L C 0.495 T C 0.547 R C 0.604 E C 0.663 V C 0.732 P C 0.755 P C 0.634 C E 0.54 F E 0.648 I E 0.676 A E 0.646 G E 0.548 A C 0.447 E C 0.608 F C 0.582 D C 0.594 P C 0.508 L C 0.49 L H 0.512 D H 0.615 D H 0.686 S H 0.739 R H 0.768 L H 0.772 L H 0.783 Y H 0.8 Q H 0.815 T H 0.811 L H 0.8 A H 0.787 A H 0.764 H H 0.607 Q C 0.677 Q C 0.69 P C 0.594 C E 0.498 E E 0.569 F E 0.59 K E 0.583 L E 0.531 Y C 0.406 P C 0.566 G C 0.585 T C 0.527 L C 0.483 H C 0.396 A H 0.352 F H 0.428 L H 0.445 H H 0.438 Y H 0.394 S C 0.505 R C 0.476 M C 0.442 M C 0.481 K H 0.636 T H 0.686 A H 0.721 D H 0.748 E H 0.761 A H 0.765 L H 0.782 R H 0.796 D H 0.798 G H 0.796 A H 0.798 Q H 0.805 F H 0.796 F H 0.782 T H 0.763 A H 0.725 Q H 0.642 L C 0.484 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 05:03:29 2002 Date: Wed, 7 Aug 2002 05:03:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0158 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 04:35:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_492382_19333 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158TS007_1 Current information on models submitted in prediction T0158TS007 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 casp5@bialko.llnl.gov T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1JJI_B # Loading PARENT structure: 1jji (chain: B) # Number of residues in PARENT structure: 311 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue C 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue C 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue T 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue E 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue A 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue C 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue F 145 # IMPORTANT NOTE! Not complete main chain atoms for residue H 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue N 155 # IMPORTANT NOTE! Not complete main chain atoms for residue M 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue G 160 # IMPORTANT NOTE! Not complete main chain atoms for residue F 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue S 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue L 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue I 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue S 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue T 205 # IMPORTANT NOTE! Not complete main chain atoms for residue R 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue L 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue G 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 222 # IMPORTANT NOTE! Not complete main chain atoms for residue M 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 240 # IMPORTANT NOTE! Not complete main chain atoms for residue C 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue N 244 # IMPORTANT NOTE! Not complete main chain atoms for residue N 245 # IMPORTANT NOTE! Not complete main chain atoms for residue D 246 # IMPORTANT NOTE! Not complete main chain atoms for residue T 248 # IMPORTANT NOTE! Not complete main chain atoms for residue R 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue P 252 # IMPORTANT NOTE! Not complete main chain atoms for residue P 253 # IMPORTANT NOTE! Not complete main chain atoms for residue C 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue I 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue F 261 # IMPORTANT NOTE! Not complete main chain atoms for residue D 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue D 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue R 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 273 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 277 # IMPORTANT NOTE! Not complete main chain atoms for residue H 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 279 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue C 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue K 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 287 # IMPORTANT NOTE! Not complete main chain atoms for residue P 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue T 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue H 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 297 # IMPORTANT NOTE! Not complete main chain atoms for residue S 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue M 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue T 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue D 305 # IMPORTANT NOTE! Not complete main chain atoms for residue E 306 # IMPORTANT NOTE! Not complete main chain atoms for residue A 307 # IMPORTANT NOTE! Not complete main chain atoms for residue L 308 # IMPORTANT NOTE! Not complete main chain atoms for residue R 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue A 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 313 # IMPORTANT NOTE! Not complete main chain atoms for residue F 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0158 # Total number of residues in target: 319 # Total number of residues in model: 252 # Total number of atoms in model: 252 # Number of atoms with 1.0 occupancy: 252 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 252 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0158 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1JJI_B ATOM 55 CA ALA 59 74.683 99.092 91.104 1.00 1.00 ATOM 56 CA THR 60 75.143 95.589 89.674 1.00 1.00 ATOM 57 CA ARG 61 76.243 92.729 91.950 1.00 1.00 ATOM 58 CA ALA 62 76.626 88.986 91.363 1.00 1.00 ATOM 59 CA TYR 63 75.411 86.743 94.232 1.00 1.00 ATOM 60 CA MET 64 75.393 83.027 94.943 1.00 1.00 ATOM 61 CA VAL 65 72.430 81.501 96.729 1.00 1.00 ATOM 62 CA PRO 66 71.531 78.124 98.030 1.00 1.00 ATOM 63 CA THR 67 68.990 76.188 95.978 1.00 1.00 ATOM 64 CA LYS 68 67.922 72.541 96.401 1.00 1.00 ATOM 65 CA TYR 69 70.165 71.719 93.430 1.00 1.00 ATOM 66 CA GLY 70 73.194 73.514 94.844 1.00 1.00 ATOM 67 CA GLN 71 74.539 76.995 94.185 1.00 1.00 ATOM 68 CA VAL 72 72.631 79.346 91.959 1.00 1.00 ATOM 69 CA GLU 73 74.279 82.467 90.626 1.00 1.00 ATOM 70 CA THR 74 72.054 85.535 90.267 1.00 1.00 ATOM 71 CA ARG 75 72.841 89.069 89.095 1.00 1.00 ATOM 72 CA LEU 76 71.247 91.920 91.031 1.00 1.00 ATOM 73 CA PHE 77 70.736 95.162 89.068 1.00 1.00 ATOM 74 CA CYS 78 69.599 97.980 91.286 1.00 1.00 ATOM 75 CA PRO 79 69.039 101.453 89.899 1.00 1.00 ATOM 76 CA GLN 80 67.535 102.510 93.232 1.00 1.00 ATOM 77 CA PRO 81 66.936 100.940 96.733 1.00 1.00 ATOM 78 CA ASP 82 63.520 100.278 98.248 1.00 1.00 ATOM 80 CA ALA 85 59.970 96.936 93.076 1.00 1.00 ATOM 81 CA THR 86 61.863 93.891 91.755 1.00 1.00 ATOM 82 CA LEU 87 61.563 91.830 88.646 1.00 1.00 ATOM 83 CA PHE 88 62.965 88.304 88.958 1.00 1.00 ATOM 84 CA TYR 89 64.001 87.486 85.395 1.00 1.00 ATOM 85 CA LEU 90 64.781 84.174 83.637 1.00 1.00 ATOM 86 CA HIS 91 66.564 84.381 80.287 1.00 1.00 ATOM 87 CA GLY 92 65.518 82.462 77.154 1.00 1.00 ATOM 88 CA GLY 93 67.492 79.940 75.142 1.00 1.00 ATOM 89 CA GLY 94 65.430 76.740 74.900 1.00 1.00 ATOM 90 CA PHE 95 66.482 75.635 78.410 1.00 1.00 ATOM 91 CA ILE 96 69.797 74.747 76.699 1.00 1.00 ATOM 92 CA LEU 97 71.622 77.970 75.814 1.00 1.00 ATOM 93 CA GLY 98 72.037 81.638 76.715 1.00 1.00 ATOM 94 CA ASN 99 72.883 83.025 80.103 1.00 1.00 ATOM 95 CA LEU 100 72.822 85.968 82.472 1.00 1.00 ATOM 96 CA ASP 101 75.392 87.627 80.118 1.00 1.00 ATOM 97 CA THR 102 73.314 87.162 76.952 1.00 1.00 ATOM 98 CA HIS 103 70.448 89.121 78.561 1.00 1.00 ATOM 99 CA ASP 104 72.529 91.628 80.495 1.00 1.00 ATOM 100 CA ARG 105 71.665 94.644 78.298 1.00 1.00 ATOM 101 CA ILE 106 67.908 93.897 78.470 1.00 1.00 ATOM 102 CA MET 107 67.989 93.532 82.254 1.00 1.00 ATOM 103 CA ARG 108 70.086 96.699 82.707 1.00 1.00 ATOM 104 CA LEU 109 67.625 98.550 80.476 1.00 1.00 ATOM 105 CA LEU 110 64.640 97.432 82.511 1.00 1.00 ATOM 106 CA ALA 111 66.265 98.348 85.868 1.00 1.00 ATOM 107 CA SER 112 67.536 101.696 84.545 1.00 1.00 ATOM 108 CA TYR 113 64.264 102.915 82.933 1.00 1.00 ATOM 109 CA SER 114 62.167 101.814 85.935 1.00 1.00 ATOM 110 CA GLN 115 64.586 103.120 88.599 1.00 1.00 ATOM 111 CA CYS 116 64.033 99.755 90.269 1.00 1.00 ATOM 112 CA THR 117 65.541 96.299 90.690 1.00 1.00 ATOM 113 CA VAL 118 66.035 93.248 88.476 1.00 1.00 ATOM 114 CA ILE 119 67.386 89.886 89.567 1.00 1.00 ATOM 115 CA GLY 120 68.491 87.646 86.653 1.00 1.00 ATOM 116 CA ILE 121 68.795 83.928 87.441 1.00 1.00 ATOM 117 CA ASP 122 71.567 81.740 86.045 1.00 1.00 ATOM 118 CA TYR 123 69.476 78.523 86.156 1.00 1.00 ATOM 119 CA THR 124 70.905 75.080 85.339 1.00 1.00 ATOM 120 CA LEU 125 70.920 74.283 81.622 1.00 1.00 ATOM 121 CA SER 126 70.038 71.106 79.685 1.00 1.00 ATOM 122 CA PRO 127 71.031 68.506 78.743 1.00 1.00 ATOM 123 CA GLU 128 73.472 68.510 81.671 1.00 1.00 ATOM 124 CA ALA 129 70.512 69.248 83.979 1.00 1.00 ATOM 125 CA ARG 130 67.202 67.943 82.591 1.00 1.00 ATOM 126 CA PHE 131 63.727 69.158 83.552 1.00 1.00 ATOM 127 CA PRO 132 62.746 70.030 86.299 1.00 1.00 ATOM 128 CA GLN 133 66.200 71.353 87.371 1.00 1.00 ATOM 129 CA ALA 134 65.776 74.854 85.780 1.00 1.00 ATOM 130 CA ILE 135 62.247 75.155 87.249 1.00 1.00 ATOM 131 CA GLU 136 63.426 74.471 90.782 1.00 1.00 ATOM 132 CA GLU 137 66.442 76.806 90.442 1.00 1.00 ATOM 133 CA ILE 138 64.122 79.557 89.232 1.00 1.00 ATOM 134 CA VAL 139 61.641 78.960 92.080 1.00 1.00 ATOM 135 CA ALA 140 64.397 78.759 94.675 1.00 1.00 ATOM 136 CA ALA 141 65.889 82.081 93.592 1.00 1.00 ATOM 137 CA CYS 142 62.493 83.766 93.524 1.00 1.00 ATOM 138 CA CYS 143 61.563 82.572 96.996 1.00 1.00 ATOM 139 CA TYR 144 65.043 83.661 98.120 1.00 1.00 ATOM 140 CA PHE 145 64.472 87.174 96.785 1.00 1.00 ATOM 141 CA HIS 146 61.214 87.231 98.733 1.00 1.00 ATOM 142 CA GLN 147 62.768 85.986 102.008 1.00 1.00 ATOM 143 CA GLN 148 65.689 88.395 101.754 1.00 1.00 ATOM 144 CA ALA 149 63.761 91.586 100.920 1.00 1.00 ATOM 145 CA GLU 150 65.431 93.808 103.544 1.00 1.00 ATOM 146 CA ASP 151 69.009 92.765 102.680 1.00 1.00 ATOM 147 CA TYR 152 68.249 93.284 99.001 1.00 1.00 ATOM 148 CA GLN 153 66.553 96.558 99.816 1.00 1.00 ATOM 149 CA ILE 154 63.593 95.410 97.722 1.00 1.00 ATOM 150 CA ASN 155 59.870 96.185 98.212 1.00 1.00 ATOM 151 CA MET 156 58.463 92.797 99.409 1.00 1.00 ATOM 152 CA SER 157 54.994 93.896 98.366 1.00 1.00 ATOM 153 CA ARG 158 56.047 94.332 94.708 1.00 1.00 ATOM 154 CA ILE 159 57.822 91.225 93.476 1.00 1.00 ATOM 155 CA GLY 160 57.304 90.292 89.835 1.00 1.00 ATOM 156 CA PHE 161 58.515 87.407 87.707 1.00 1.00 ATOM 157 CA ALA 162 59.115 87.208 83.962 1.00 1.00 ATOM 158 CA GLY 163 61.237 85.804 81.165 1.00 1.00 ATOM 159 CA ASP 164 61.409 85.456 77.366 1.00 1.00 ATOM 160 CA SER 165 60.765 82.181 75.475 1.00 1.00 ATOM 161 CA ALA 166 61.914 79.326 77.716 1.00 1.00 ATOM 162 CA GLY 167 62.248 82.120 80.260 1.00 1.00 ATOM 163 CA ALA 168 58.536 82.919 79.798 1.00 1.00 ATOM 164 CA MET 169 57.789 79.237 80.465 1.00 1.00 ATOM 165 CA LEU 170 59.861 79.303 83.668 1.00 1.00 ATOM 166 CA ALA 171 58.161 82.433 84.931 1.00 1.00 ATOM 167 CA LEU 172 54.819 80.663 84.428 1.00 1.00 ATOM 168 CA ALA 173 56.089 77.504 86.231 1.00 1.00 ATOM 169 CA SER 174 57.530 79.535 89.082 1.00 1.00 ATOM 170 CA ALA 175 54.103 81.208 89.523 1.00 1.00 ATOM 171 CA LEU 176 52.295 77.856 89.490 1.00 1.00 ATOM 172 CA TRP 177 54.815 76.346 91.945 1.00 1.00 ATOM 173 CA LEU 178 54.371 79.306 94.346 1.00 1.00 ATOM 174 CA ARG 179 50.564 79.062 94.165 1.00 1.00 ATOM 175 CA ASP 180 50.759 75.288 94.774 1.00 1.00 ATOM 176 CA LYS 181 52.824 76.001 97.892 1.00 1.00 ATOM 177 CA GLN 182 50.385 78.603 99.124 1.00 1.00 ATOM 178 CA ILE 183 52.996 81.343 98.598 1.00 1.00 ATOM 179 CA GLY 186 51.414 84.687 97.628 1.00 1.00 ATOM 180 CA LYS 187 54.525 86.836 97.086 1.00 1.00 ATOM 181 CA VAL 188 54.362 87.029 93.263 1.00 1.00 ATOM 182 CA ALA 189 52.316 90.086 92.215 1.00 1.00 ATOM 183 CA GLY 190 52.621 89.798 88.443 1.00 1.00 ATOM 184 CA VAL 191 53.918 87.437 85.845 1.00 1.00 ATOM 185 CA LEU 192 55.340 88.700 82.534 1.00 1.00 ATOM 186 CA LEU 193 55.588 86.118 79.800 1.00 1.00 ATOM 187 CA TRP 194 57.431 87.181 76.689 1.00 1.00 ATOM 188 CA TYR 195 56.632 84.851 73.760 1.00 1.00 ATOM 189 CA GLY 196 56.613 81.816 76.113 1.00 1.00 ATOM 190 CA LEU 197 56.483 78.108 75.323 1.00 1.00 ATOM 191 CA TYR 198 53.571 76.639 77.286 1.00 1.00 ATOM 192 CA GLY 199 52.936 73.317 75.559 1.00 1.00 ATOM 193 CA LEU 200 55.501 70.618 74.733 1.00 1.00 ATOM 194 CA ARG 201 53.075 68.088 73.236 1.00 1.00 ATOM 195 CA ASP 202 50.198 69.526 71.153 1.00 1.00 ATOM 196 CA SER 203 50.750 71.530 67.910 1.00 1.00 ATOM 197 CA VAL 204 48.923 74.751 66.856 1.00 1.00 ATOM 198 CA THR 205 48.114 76.595 63.630 1.00 1.00 ATOM 199 CA ARG 206 51.019 79.065 64.075 1.00 1.00 ATOM 200 CA ARG 207 53.301 76.188 65.121 1.00 1.00 ATOM 201 CA LEU 208 52.483 74.466 61.802 1.00 1.00 ATOM 202 CA LEU 209 52.450 77.723 59.833 1.00 1.00 ATOM 203 CA GLY 210 55.763 79.229 60.966 1.00 1.00 ATOM 204 CA GLY 211 57.324 75.843 61.802 1.00 1.00 ATOM 206 CA VAL 212 60.533 79.124 56.285 1.00 1.00 ATOM 207 CA TRP 213 60.355 81.807 58.955 1.00 1.00 ATOM 208 CA ASP 214 63.530 83.146 60.537 1.00 1.00 ATOM 209 CA GLY 215 64.932 82.217 63.923 1.00 1.00 ATOM 210 CA LEU 216 62.655 79.685 65.723 1.00 1.00 ATOM 211 CA THR 217 62.169 76.573 63.517 1.00 1.00 ATOM 212 CA GLN 218 60.533 73.177 64.293 1.00 1.00 ATOM 213 CA GLN 219 63.928 71.492 63.884 1.00 1.00 ATOM 214 CA ASP 220 65.639 73.558 66.594 1.00 1.00 ATOM 215 CA LEU 221 62.548 73.419 68.789 1.00 1.00 ATOM 216 CA GLN 222 62.459 69.621 68.552 1.00 1.00 ATOM 217 CA MET 223 66.154 69.580 69.368 1.00 1.00 ATOM 218 CA TYR 224 65.755 71.841 72.435 1.00 1.00 ATOM 219 CA GLU 225 63.007 69.522 73.690 1.00 1.00 ATOM 220 CA GLU 226 65.227 66.483 73.293 1.00 1.00 ATOM 221 CA ALA 227 67.831 68.202 75.452 1.00 1.00 ATOM 222 CA TYR 228 65.333 69.323 78.040 1.00 1.00 ATOM 223 CA LEU 229 63.486 66.112 79.036 1.00 1.00 ATOM 224 CA SER 230 64.935 62.789 80.162 1.00 1.00 ATOM 225 CA ASN 231 61.529 61.036 80.090 1.00 1.00 ATOM 226 CA ASP 232 58.873 61.553 77.356 1.00 1.00 ATOM 227 CA ALA 233 56.173 61.459 80.073 1.00 1.00 ATOM 228 CA ASP 234 57.734 64.592 81.662 1.00 1.00 ATOM 229 CA ARG 235 56.436 66.656 78.726 1.00 1.00 ATOM 230 CA GLU 236 52.996 66.397 80.332 1.00 1.00 ATOM 231 CA SER 237 54.161 67.618 83.724 1.00 1.00 ATOM 232 CA PRO 238 52.168 70.721 84.536 1.00 1.00 ATOM 233 CA TYR 239 55.482 72.476 85.337 1.00 1.00 ATOM 234 CA TYR 240 56.650 71.909 81.770 1.00 1.00 ATOM 235 CA CYS 241 53.444 72.129 79.675 1.00 1.00 ATOM 236 CA LEU 242 52.019 74.798 82.009 1.00 1.00 ATOM 237 CA PHE 243 48.996 75.051 79.807 1.00 1.00 ATOM 238 CA ASN 244 47.792 71.861 81.613 1.00 1.00 ATOM 239 CA ASN 245 48.201 73.245 85.107 1.00 1.00 ATOM 240 CA ASP 246 45.506 74.452 87.451 1.00 1.00 ATOM 241 CA THR 248 45.278 78.202 86.752 1.00 1.00 ATOM 242 CA ARG 249 43.145 79.318 89.718 1.00 1.00 ATOM 243 CA GLU 250 44.652 82.207 91.740 1.00 1.00 ATOM 244 CA VAL 251 47.733 82.635 89.546 1.00 1.00 ATOM 245 CA PRO 252 49.305 86.115 89.481 1.00 1.00 ATOM 246 CA PRO 253 47.810 88.682 86.959 1.00 1.00 ATOM 247 CA CYS 254 49.705 88.290 83.693 1.00 1.00 ATOM 248 CA PHE 255 51.105 90.382 80.888 1.00 1.00 ATOM 249 CA ILE 256 51.624 88.231 77.843 1.00 1.00 ATOM 250 CA ALA 257 53.575 89.603 74.892 1.00 1.00 ATOM 251 CA GLY 258 53.623 87.695 71.601 1.00 1.00 ATOM 252 CA ALA 259 55.191 88.071 68.172 1.00 1.00 ATOM 253 CA GLU 260 53.026 87.839 65.049 1.00 1.00 ATOM 254 CA PHE 261 55.385 85.548 63.003 1.00 1.00 ATOM 255 CA ASP 262 56.231 82.955 65.636 1.00 1.00 ATOM 256 CA PRO 263 55.295 79.236 65.860 1.00 1.00 ATOM 257 CA LEU 264 54.655 79.647 69.595 1.00 1.00 ATOM 258 CA LEU 265 52.317 82.643 69.122 1.00 1.00 ATOM 259 CA ASP 266 48.944 80.787 69.276 1.00 1.00 ATOM 260 CA ASP 267 50.030 78.694 72.221 1.00 1.00 ATOM 261 CA SER 268 50.917 81.731 74.348 1.00 1.00 ATOM 262 CA ARG 269 47.670 83.591 73.532 1.00 1.00 ATOM 263 CA LEU 270 45.468 80.599 74.436 1.00 1.00 ATOM 264 CA LEU 271 47.326 80.406 77.736 1.00 1.00 ATOM 265 CA TYR 272 46.272 84.011 78.161 1.00 1.00 ATOM 266 CA GLN 273 42.632 83.169 77.287 1.00 1.00 ATOM 267 CA THR 274 42.704 80.315 79.808 1.00 1.00 ATOM 268 CA LEU 275 44.049 82.506 82.603 1.00 1.00 ATOM 269 CA ALA 276 41.058 84.817 82.027 1.00 1.00 ATOM 270 CA ALA 277 38.601 81.872 82.129 1.00 1.00 ATOM 271 CA HIS 278 40.189 80.733 85.358 1.00 1.00 ATOM 272 CA GLN 279 39.446 84.193 86.699 1.00 1.00 ATOM 273 CA GLN 280 43.012 85.491 86.430 1.00 1.00 ATOM 274 CA PRO 281 43.373 89.043 85.124 1.00 1.00 ATOM 275 CA CYS 282 45.555 89.065 81.995 1.00 1.00 ATOM 276 CA GLU 283 46.547 91.226 78.988 1.00 1.00 ATOM 277 CA PHE 284 47.482 89.452 75.721 1.00 1.00 ATOM 278 CA LYS 285 49.397 91.699 73.394 1.00 1.00 ATOM 279 CA LEU 286 50.495 90.713 69.938 1.00 1.00 ATOM 280 CA TYR 287 53.227 92.847 68.301 1.00 1.00 ATOM 281 CA PRO 288 52.798 92.752 64.539 1.00 1.00 ATOM 282 CA GLY 289 55.582 92.574 61.987 1.00 1.00 ATOM 283 CA THR 290 58.046 90.874 64.347 1.00 1.00 ATOM 284 CA LEU 291 59.474 87.393 65.054 1.00 1.00 ATOM 285 CA HIS 292 60.200 85.240 68.026 1.00 1.00 ATOM 286 CA ALA 293 63.004 86.732 70.126 1.00 1.00 ATOM 287 CA PHE 294 62.397 90.292 68.944 1.00 1.00 ATOM 288 CA LEU 295 62.897 92.011 72.323 1.00 1.00 ATOM 289 CA HIS 296 66.732 91.710 72.252 1.00 1.00 ATOM 290 CA TYR 297 66.959 93.808 69.076 1.00 1.00 ATOM 291 CA SER 298 65.591 96.985 70.746 1.00 1.00 ATOM 292 CA ARG 299 68.558 99.108 69.440 1.00 1.00 ATOM 293 CA MET 300 67.236 98.818 65.842 1.00 1.00 ATOM 294 CA MET 301 63.540 97.762 66.317 1.00 1.00 ATOM 295 CA LYS 302 60.989 100.157 67.842 1.00 1.00 ATOM 296 CA THR 303 58.653 97.256 68.619 1.00 1.00 ATOM 297 CA ALA 304 61.321 95.891 70.956 1.00 1.00 ATOM 298 CA ASP 305 61.735 99.222 72.786 1.00 1.00 ATOM 299 CA GLU 306 57.958 99.566 73.197 1.00 1.00 ATOM 300 CA ALA 307 57.634 95.952 74.515 1.00 1.00 ATOM 301 CA LEU 308 60.483 96.661 76.997 1.00 1.00 ATOM 302 CA ARG 309 58.775 99.934 78.023 1.00 1.00 ATOM 303 CA ASP 310 55.718 97.820 78.981 1.00 1.00 ATOM 304 CA GLY 311 57.781 95.701 81.343 1.00 1.00 ATOM 305 CA ALA 312 59.480 98.712 83.025 1.00 1.00 ATOM 306 CA GLN 313 56.124 100.507 83.237 1.00 1.00 ATOM 307 CA PHE 314 54.862 97.716 85.511 1.00 1.00 ATOM 308 CA PHE 315 57.724 98.391 87.942 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 05:04:08 2002 Date: Wed, 7 Aug 2002 05:04:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0158 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 04:36:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_498183_19334 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158TS007_2 Current information on models submitted in prediction T0158TS007 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1JJI_C # Loading PARENT structure: 1jji (chain: C) # Number of residues in PARENT structure: 311 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue C 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue C 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue T 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue E 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue A 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue C 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue F 145 # IMPORTANT NOTE! Not complete main chain atoms for residue H 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue N 155 # IMPORTANT NOTE! Not complete main chain atoms for residue M 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue G 160 # IMPORTANT NOTE! Not complete main chain atoms for residue F 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue S 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue L 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue I 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue S 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue T 205 # IMPORTANT NOTE! Not complete main chain atoms for residue R 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue L 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue G 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 222 # IMPORTANT NOTE! Not complete main chain atoms for residue M 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 240 # IMPORTANT NOTE! Not complete main chain atoms for residue C 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue N 244 # IMPORTANT NOTE! Not complete main chain atoms for residue N 245 # IMPORTANT NOTE! Not complete main chain atoms for residue D 246 # IMPORTANT NOTE! Not complete main chain atoms for residue T 248 # IMPORTANT NOTE! Not complete main chain atoms for residue R 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue P 252 # IMPORTANT NOTE! Not complete main chain atoms for residue P 253 # IMPORTANT NOTE! Not complete main chain atoms for residue C 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue I 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue F 261 # IMPORTANT NOTE! Not complete main chain atoms for residue D 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue D 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue R 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 273 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 277 # IMPORTANT NOTE! Not complete main chain atoms for residue H 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 279 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue C 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue K 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 287 # IMPORTANT NOTE! Not complete main chain atoms for residue P 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue T 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue H 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 297 # IMPORTANT NOTE! Not complete main chain atoms for residue S 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue M 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue T 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue D 305 # IMPORTANT NOTE! Not complete main chain atoms for residue E 306 # IMPORTANT NOTE! Not complete main chain atoms for residue A 307 # IMPORTANT NOTE! Not complete main chain atoms for residue L 308 # IMPORTANT NOTE! Not complete main chain atoms for residue R 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue A 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 313 # IMPORTANT NOTE! Not complete main chain atoms for residue F 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0158 # Total number of residues in target: 319 # Total number of residues in model: 252 # Total number of atoms in model: 252 # Number of atoms with 1.0 occupancy: 252 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 252 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0158 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1JJI_C ATOM 55 CA ALA 59 76.892 101.519 13.354 1.00 1.00 ATOM 56 CA THR 60 77.961 98.777 15.747 1.00 1.00 ATOM 57 CA ARG 61 81.059 99.719 17.714 1.00 1.00 ATOM 58 CA ALA 62 83.078 97.741 20.226 1.00 1.00 ATOM 59 CA TYR 63 84.873 99.863 22.790 1.00 1.00 ATOM 60 CA MET 64 86.801 99.062 25.891 1.00 1.00 ATOM 61 CA VAL 65 86.377 101.328 28.904 1.00 1.00 ATOM 62 CA PRO 66 87.778 102.178 32.351 1.00 1.00 ATOM 63 CA THR 67 85.998 100.150 34.979 1.00 1.00 ATOM 64 CA LYS 68 87.232 99.892 38.538 1.00 1.00 ATOM 65 CA TYR 69 87.778 96.161 37.915 1.00 1.00 ATOM 66 CA GLY 70 89.767 97.090 34.838 1.00 1.00 ATOM 67 CA GLN 71 88.933 96.849 31.148 1.00 1.00 ATOM 68 CA VAL 72 85.204 96.488 30.360 1.00 1.00 ATOM 69 CA GLU 73 84.071 95.801 26.813 1.00 1.00 ATOM 70 CA THR 74 80.927 97.508 25.587 1.00 1.00 ATOM 71 CA ARG 75 79.070 97.152 22.284 1.00 1.00 ATOM 72 CA LEU 76 77.421 100.346 20.985 1.00 1.00 ATOM 73 CA PHE 77 74.577 99.807 18.467 1.00 1.00 ATOM 74 CA CYS 78 73.524 103.139 17.007 1.00 1.00 ATOM 75 CA PRO 79 70.932 103.405 14.261 1.00 1.00 ATOM 76 CA GLN 80 70.841 107.213 14.515 1.00 1.00 ATOM 77 CA PRO 81 72.989 109.869 16.239 1.00 1.00 ATOM 78 CA ASP 82 71.742 111.978 19.162 1.00 1.00 ATOM 80 CA ALA 85 67.924 107.903 23.501 1.00 1.00 ATOM 81 CA THR 86 70.006 105.029 24.878 1.00 1.00 ATOM 82 CA LEU 87 69.295 101.718 26.525 1.00 1.00 ATOM 83 CA PHE 88 72.273 100.275 28.438 1.00 1.00 ATOM 84 CA TYR 89 71.655 96.520 28.394 1.00 1.00 ATOM 85 CA LEU 90 72.942 93.668 30.537 1.00 1.00 ATOM 86 CA HIS 91 72.572 90.156 29.047 1.00 1.00 ATOM 87 CA GLY 92 71.068 87.211 30.941 1.00 1.00 ATOM 88 CA GLY 93 72.882 83.976 31.714 1.00 1.00 ATOM 89 CA GLY 94 72.596 83.303 35.455 1.00 1.00 ATOM 90 CA PHE 95 75.581 85.609 36.007 1.00 1.00 ATOM 91 CA ILE 96 77.641 82.623 34.723 1.00 1.00 ATOM 92 CA LEU 97 77.096 82.175 30.937 1.00 1.00 ATOM 93 CA GLY 98 76.059 84.034 27.754 1.00 1.00 ATOM 94 CA ASN 99 77.704 87.174 26.445 1.00 1.00 ATOM 95 CA LEU 100 77.383 90.272 24.342 1.00 1.00 ATOM 96 CA ASP 101 77.218 87.997 21.303 1.00 1.00 ATOM 97 CA THR 102 74.524 85.655 22.632 1.00 1.00 ATOM 98 CA HIS 103 72.235 88.684 22.852 1.00 1.00 ATOM 99 CA ASP 104 73.501 90.459 19.758 1.00 1.00 ATOM 100 CA ARG 105 70.366 89.969 17.575 1.00 1.00 ATOM 101 CA ILE 106 68.023 91.209 20.375 1.00 1.00 ATOM 102 CA MET 107 70.098 94.349 20.956 1.00 1.00 ATOM 103 CA ARG 108 70.366 94.951 17.177 1.00 1.00 ATOM 104 CA LEU 109 66.580 94.623 16.828 1.00 1.00 ATOM 105 CA LEU 110 65.905 97.102 19.672 1.00 1.00 ATOM 106 CA ALA 111 68.314 99.637 18.175 1.00 1.00 ATOM 107 CA SER 112 67.022 99.183 14.639 1.00 1.00 ATOM 108 CA TYR 113 63.315 99.475 15.471 1.00 1.00 ATOM 109 CA SER 114 63.809 102.499 17.729 1.00 1.00 ATOM 110 CA GLN 115 66.267 104.344 15.514 1.00 1.00 ATOM 111 CA CYS 116 68.179 104.844 18.683 1.00 1.00 ATOM 112 CA THR 117 71.081 103.407 20.655 1.00 1.00 ATOM 113 CA VAL 118 71.746 100.327 22.673 1.00 1.00 ATOM 114 CA ILE 119 74.944 99.783 24.739 1.00 1.00 ATOM 115 CA GLY 120 75.389 96.115 25.771 1.00 1.00 ATOM 116 CA ILE 121 77.829 95.457 28.606 1.00 1.00 ATOM 117 CA ASP 122 80.294 92.589 28.643 1.00 1.00 ATOM 118 CA TYR 123 80.355 92.208 32.435 1.00 1.00 ATOM 119 CA THR 124 82.620 89.783 34.330 1.00 1.00 ATOM 120 CA LEU 125 81.135 86.378 34.900 1.00 1.00 ATOM 121 CA SER 126 81.173 84.057 37.889 1.00 1.00 ATOM 122 CA PRO 127 82.796 81.985 39.398 1.00 1.00 ATOM 123 CA GLU 128 85.925 83.564 37.953 1.00 1.00 ATOM 124 CA ALA 129 84.469 86.858 39.177 1.00 1.00 ATOM 125 CA ARG 130 82.261 86.659 42.202 1.00 1.00 ATOM 126 CA PHE 131 79.641 89.182 43.112 1.00 1.00 ATOM 127 CA PRO 132 79.700 92.282 43.083 1.00 1.00 ATOM 128 CA GLN 133 82.151 92.113 40.163 1.00 1.00 ATOM 129 CA ALA 134 79.295 92.102 37.556 1.00 1.00 ATOM 130 CA ILE 135 77.178 94.735 39.395 1.00 1.00 ATOM 131 CA GLU 136 80.166 97.134 39.422 1.00 1.00 ATOM 132 CA GLU 137 80.972 96.533 35.802 1.00 1.00 ATOM 133 CA ILE 138 77.386 97.376 34.950 1.00 1.00 ATOM 134 CA VAL 139 77.310 100.595 37.016 1.00 1.00 ATOM 135 CA ALA 140 80.755 101.759 35.713 1.00 1.00 ATOM 136 CA ALA 141 79.659 101.132 32.143 1.00 1.00 ATOM 137 CA CYS 142 76.286 102.822 32.698 1.00 1.00 ATOM 138 CA CYS 143 77.951 105.877 34.346 1.00 1.00 ATOM 139 CA TYR 144 80.526 105.911 31.556 1.00 1.00 ATOM 140 CA PHE 145 77.721 106.170 28.983 1.00 1.00 ATOM 141 CA HIS 146 76.220 109.108 30.896 1.00 1.00 ATOM 142 CA GLN 147 79.594 110.918 31.087 1.00 1.00 ATOM 143 CA GLN 148 80.443 110.460 27.406 1.00 1.00 ATOM 144 CA ALA 149 77.049 111.288 25.918 1.00 1.00 ATOM 145 CA GLU 150 78.351 113.873 23.436 1.00 1.00 ATOM 146 CA ASP 151 81.142 111.558 22.304 1.00 1.00 ATOM 147 CA TYR 152 78.686 108.696 21.871 1.00 1.00 ATOM 148 CA GLN 153 76.144 111.044 20.248 1.00 1.00 ATOM 149 CA ILE 154 73.593 109.953 22.845 1.00 1.00 ATOM 150 CA ASN 155 70.789 112.057 24.294 1.00 1.00 ATOM 151 CA MET 156 71.991 112.570 27.876 1.00 1.00 ATOM 152 CA SER 157 68.370 113.246 28.886 1.00 1.00 ATOM 153 CA ARG 158 67.120 109.809 27.856 1.00 1.00 ATOM 154 CA ILE 159 69.204 107.046 29.362 1.00 1.00 ATOM 155 CA GLY 160 67.492 103.793 30.204 1.00 1.00 ATOM 156 CA PHE 161 68.808 100.565 31.755 1.00 1.00 ATOM 157 CA ALA 162 67.493 97.023 31.302 1.00 1.00 ATOM 158 CA GLY 163 68.358 93.372 30.973 1.00 1.00 ATOM 159 CA ASP 164 66.829 89.917 30.903 1.00 1.00 ATOM 160 CA SER 165 66.975 87.391 33.794 1.00 1.00 ATOM 161 CA ALA 166 70.257 87.975 35.655 1.00 1.00 ATOM 162 CA GLY 167 70.592 90.999 33.431 1.00 1.00 ATOM 163 CA ALA 168 67.283 92.301 34.739 1.00 1.00 ATOM 164 CA MET 169 68.694 91.854 38.256 1.00 1.00 ATOM 165 CA LEU 170 71.809 93.847 37.297 1.00 1.00 ATOM 166 CA ALA 171 69.650 96.614 35.812 1.00 1.00 ATOM 167 CA LEU 172 67.767 96.889 39.104 1.00 1.00 ATOM 168 CA ALA 173 71.092 96.890 41.035 1.00 1.00 ATOM 169 CA SER 174 72.550 99.548 38.739 1.00 1.00 ATOM 170 CA ALA 175 69.541 101.793 39.381 1.00 1.00 ATOM 171 CA LEU 176 70.035 101.470 43.160 1.00 1.00 ATOM 172 CA TRP 177 73.740 102.256 43.004 1.00 1.00 ATOM 173 CA LEU 178 73.026 105.277 40.846 1.00 1.00 ATOM 174 CA ARG 179 70.514 106.591 43.385 1.00 1.00 ATOM 175 CA ASP 180 72.802 105.977 46.342 1.00 1.00 ATOM 176 CA LYS 181 75.188 108.317 44.516 1.00 1.00 ATOM 177 CA GLN 182 72.583 111.040 44.179 1.00 1.00 ATOM 178 CA ILE 183 72.892 110.226 40.504 1.00 1.00 ATOM 179 CA GLY 186 69.686 110.930 38.570 1.00 1.00 ATOM 180 CA LYS 187 70.557 110.161 34.962 1.00 1.00 ATOM 181 CA VAL 188 68.640 106.869 34.729 1.00 1.00 ATOM 182 CA ALA 189 65.142 107.680 33.430 1.00 1.00 ATOM 183 CA GLY 190 63.704 104.156 33.138 1.00 1.00 ATOM 184 CA VAL 191 64.405 100.533 34.221 1.00 1.00 ATOM 185 CA LEU 192 63.373 97.638 32.001 1.00 1.00 ATOM 186 CA LEU 193 63.322 94.330 33.787 1.00 1.00 ATOM 187 CA TRP 194 62.572 91.252 31.669 1.00 1.00 ATOM 188 CA TYR 195 61.718 88.252 33.890 1.00 1.00 ATOM 189 CA GLY 196 64.424 89.306 36.403 1.00 1.00 ATOM 190 CA LEU 197 65.815 87.447 39.393 1.00 1.00 ATOM 191 CA TYR 198 65.429 89.832 42.347 1.00 1.00 ATOM 192 CA GLY 199 65.558 87.492 45.349 1.00 1.00 ATOM 193 CA LEU 200 68.240 84.968 46.453 1.00 1.00 ATOM 194 CA ARG 201 67.103 84.167 50.019 1.00 1.00 ATOM 195 CA ASP 202 63.282 83.736 50.349 1.00 1.00 ATOM 196 CA SER 203 60.757 81.469 48.534 1.00 1.00 ATOM 197 CA VAL 204 57.551 82.036 46.461 1.00 1.00 ATOM 198 CA THR 205 54.569 80.025 45.102 1.00 1.00 ATOM 199 CA ARG 206 55.729 80.262 41.478 1.00 1.00 ATOM 200 CA ARG 207 59.178 79.132 42.592 1.00 1.00 ATOM 201 CA LEU 208 57.522 75.853 43.687 1.00 1.00 ATOM 202 CA LEU 209 54.846 75.250 41.047 1.00 1.00 ATOM 203 CA GLY 210 57.645 75.616 38.503 1.00 1.00 ATOM 204 CA GLY 211 60.745 74.926 40.621 1.00 1.00 ATOM 206 CA VAL 212 59.065 69.823 35.819 1.00 1.00 ATOM 207 CA TRP 213 58.985 72.692 33.336 1.00 1.00 ATOM 208 CA ASP 214 61.516 72.675 30.520 1.00 1.00 ATOM 209 CA GLY 215 64.196 75.379 30.150 1.00 1.00 ATOM 210 CA LEU 216 64.654 76.901 33.664 1.00 1.00 ATOM 211 CA THR 217 64.710 74.875 36.908 1.00 1.00 ATOM 212 CA GLN 218 65.625 75.197 40.612 1.00 1.00 ATOM 213 CA GLN 219 68.685 72.948 40.018 1.00 1.00 ATOM 214 CA ASP 220 70.592 75.199 37.609 1.00 1.00 ATOM 215 CA LEU 221 69.308 78.190 39.572 1.00 1.00 ATOM 216 CA GLN 222 71.003 76.885 42.748 1.00 1.00 ATOM 217 CA MET 223 74.125 76.077 40.714 1.00 1.00 ATOM 218 CA TYR 224 74.114 79.638 39.434 1.00 1.00 ATOM 219 CA GLU 225 73.988 80.970 43.018 1.00 1.00 ATOM 220 CA GLU 226 76.919 78.777 43.969 1.00 1.00 ATOM 221 CA ALA 227 78.989 80.234 41.166 1.00 1.00 ATOM 222 CA TYR 228 77.899 83.829 41.843 1.00 1.00 ATOM 223 CA LEU 229 78.229 84.341 45.651 1.00 1.00 ATOM 224 CA SER 230 81.759 84.321 47.121 1.00 1.00 ATOM 225 CA ASN 231 80.381 84.595 50.649 1.00 1.00 ATOM 226 CA ASP 232 76.924 83.046 51.258 1.00 1.00 ATOM 227 CA ALA 233 76.302 86.208 53.340 1.00 1.00 ATOM 228 CA ASP 234 76.402 88.172 50.066 1.00 1.00 ATOM 229 CA ARG 235 72.964 86.581 49.351 1.00 1.00 ATOM 230 CA GLU 236 71.243 89.346 51.337 1.00 1.00 ATOM 231 CA SER 237 73.276 92.246 49.981 1.00 1.00 ATOM 232 CA PRO 238 70.929 94.962 48.548 1.00 1.00 ATOM 233 CA TYR 239 72.879 94.860 45.252 1.00 1.00 ATOM 234 CA TYR 240 71.988 91.159 44.859 1.00 1.00 ATOM 235 CA CYS 241 68.623 90.563 46.488 1.00 1.00 ATOM 236 CA LEU 242 67.435 94.002 45.275 1.00 1.00 ATOM 237 CA PHE 243 63.960 93.256 46.573 1.00 1.00 ATOM 238 CA ASN 244 65.259 94.325 50.054 1.00 1.00 ATOM 239 CA ASN 245 66.930 97.523 48.945 1.00 1.00 ATOM 240 CA ASP 246 65.565 101.038 49.560 1.00 1.00 ATOM 241 CA THR 248 63.279 101.601 46.566 1.00 1.00 ATOM 242 CA ARG 249 62.686 105.333 47.166 1.00 1.00 ATOM 243 CA GLU 250 63.174 107.490 44.122 1.00 1.00 ATOM 244 CA VAL 251 64.200 104.520 41.956 1.00 1.00 ATOM 245 CA PRO 252 63.576 105.027 38.218 1.00 1.00 ATOM 246 CA PRO 253 60.143 104.086 36.806 1.00 1.00 ATOM 247 CA CYS 254 59.949 100.433 35.780 1.00 1.00 ATOM 248 CA PHE 255 58.647 98.243 33.004 1.00 1.00 ATOM 249 CA ILE 256 58.597 94.698 34.256 1.00 1.00 ATOM 250 CA ALA 257 57.878 91.890 31.898 1.00 1.00 ATOM 251 CA GLY 258 57.248 88.391 33.254 1.00 1.00 ATOM 252 CA ALA 259 56.444 84.975 31.750 1.00 1.00 ATOM 253 CA GLU 260 53.368 83.039 32.937 1.00 1.00 ATOM 254 CA PHE 261 55.149 79.651 33.266 1.00 1.00 ATOM 255 CA ASP 262 58.327 80.751 35.040 1.00 1.00 ATOM 256 CA PRO 263 59.662 80.144 38.574 1.00 1.00 ATOM 257 CA LEU 264 60.835 83.767 38.791 1.00 1.00 ATOM 258 CA LEU 265 57.433 85.232 37.815 1.00 1.00 ATOM 259 CA ASP 266 55.877 86.093 41.229 1.00 1.00 ATOM 260 CA ASP 267 59.154 87.465 42.507 1.00 1.00 ATOM 261 CA SER 268 59.453 89.964 39.608 1.00 1.00 ATOM 262 CA ARG 269 55.892 91.179 40.091 1.00 1.00 ATOM 263 CA LEU 270 56.168 91.569 43.887 1.00 1.00 ATOM 264 CA LEU 271 59.165 93.713 43.133 1.00 1.00 ATOM 265 CA TYR 272 56.871 95.859 40.915 1.00 1.00 ATOM 266 CA GLN 273 54.188 96.171 43.625 1.00 1.00 ATOM 267 CA THR 274 56.832 97.237 46.192 1.00 1.00 ATOM 268 CA LEU 275 58.104 99.792 43.748 1.00 1.00 ATOM 269 CA ALA 276 54.559 101.199 43.704 1.00 1.00 ATOM 270 CA ALA 277 54.147 101.295 47.521 1.00 1.00 ATOM 271 CA HIS 278 57.480 103.085 47.440 1.00 1.00 ATOM 272 CA GLN 279 56.115 105.819 45.188 1.00 1.00 ATOM 273 CA GLN 280 57.824 104.601 41.995 1.00 1.00 ATOM 274 CA PRO 281 55.725 104.301 38.820 1.00 1.00 ATOM 275 CA CYS 282 55.680 100.813 37.340 1.00 1.00 ATOM 276 CA GLU 283 53.951 98.556 34.796 1.00 1.00 ATOM 277 CA PHE 284 53.810 94.844 35.485 1.00 1.00 ATOM 278 CA LYS 285 53.044 92.927 32.344 1.00 1.00 ATOM 279 CA LEU 286 52.591 89.159 32.248 1.00 1.00 ATOM 280 CA TYR 287 52.815 87.449 28.921 1.00 1.00 ATOM 281 CA PRO 288 50.667 84.344 28.925 1.00 1.00 ATOM 282 CA GLY 289 51.594 81.047 27.300 1.00 1.00 ATOM 283 CA THR 290 55.384 81.533 27.365 1.00 1.00 ATOM 284 CA LEU 291 58.310 80.519 29.652 1.00 1.00 ATOM 285 CA HIS 292 61.318 82.208 31.158 1.00 1.00 ATOM 286 CA ALA 293 63.782 83.370 28.484 1.00 1.00 ATOM 287 CA PHE 294 61.089 83.770 25.815 1.00 1.00 ATOM 288 CA LEU 295 62.273 87.113 24.350 1.00 1.00 ATOM 289 CA HIS 296 65.166 85.554 22.391 1.00 1.00 ATOM 290 CA TYR 297 62.750 83.415 20.319 1.00 1.00 ATOM 291 CA SER 298 61.067 86.390 18.625 1.00 1.00 ATOM 292 CA ARG 299 61.652 84.887 15.118 1.00 1.00 ATOM 293 CA MET 300 59.000 82.255 15.801 1.00 1.00 ATOM 294 CA MET 301 57.079 83.658 18.766 1.00 1.00 ATOM 295 CA LYS 302 54.766 86.699 18.410 1.00 1.00 ATOM 296 CA THR 303 54.774 87.215 22.213 1.00 1.00 ATOM 297 CA ALA 304 58.532 87.816 22.069 1.00 1.00 ATOM 298 CA ASP 305 58.158 90.204 19.163 1.00 1.00 ATOM 299 CA GLU 306 55.530 92.220 21.070 1.00 1.00 ATOM 300 CA ALA 307 57.751 92.284 24.242 1.00 1.00 ATOM 301 CA LEU 308 60.643 93.699 22.194 1.00 1.00 ATOM 302 CA ARG 309 58.282 96.280 20.721 1.00 1.00 ATOM 303 CA ASP 310 57.434 97.444 24.245 1.00 1.00 ATOM 304 CA GLY 311 61.117 98.045 24.930 1.00 1.00 ATOM 305 CA ALA 312 61.733 99.693 21.559 1.00 1.00 ATOM 306 CA GLN 313 58.663 101.911 22.128 1.00 1.00 ATOM 307 CA PHE 314 60.153 103.340 25.344 1.00 1.00 ATOM 308 CA PHE 315 63.080 104.645 23.256 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 05:14:08 2002 Date: Wed, 7 Aug 2002 05:14:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0158 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 04:46:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_598817_19368 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158TS007_3 Current information on models submitted in prediction T0158TS007 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_3 PIN_598817_19368 6269-7633-6117 08/07/02 04:46:20 casp5@bialko.llnl.gov T0158TS007_4 PIN_570348_19358 6269-7633-6117 08/07/02 04:43:20 casp5@bialko.llnl.gov T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_3 PIN_598817_19368 6269-7633-6117 08/07/02 04:46:20 casp5@bialko.llnl.gov T0158TS007_4 PIN_570348_19358 6269-7633-6117 08/07/02 04:43:20 casp5@bialko.llnl.gov T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1JJI_D # Loading PARENT structure: 1jji (chain: D) # Number of residues in PARENT structure: 311 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue C 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue C 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue T 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue E 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue A 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue C 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue F 145 # IMPORTANT NOTE! Not complete main chain atoms for residue H 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue N 155 # IMPORTANT NOTE! Not complete main chain atoms for residue M 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue G 160 # IMPORTANT NOTE! Not complete main chain atoms for residue F 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue S 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue L 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue I 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue S 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue T 205 # IMPORTANT NOTE! Not complete main chain atoms for residue R 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue L 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue G 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 222 # IMPORTANT NOTE! Not complete main chain atoms for residue M 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 240 # IMPORTANT NOTE! Not complete main chain atoms for residue C 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue N 244 # IMPORTANT NOTE! Not complete main chain atoms for residue N 245 # IMPORTANT NOTE! Not complete main chain atoms for residue D 246 # IMPORTANT NOTE! Not complete main chain atoms for residue T 248 # IMPORTANT NOTE! Not complete main chain atoms for residue R 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue P 252 # IMPORTANT NOTE! Not complete main chain atoms for residue P 253 # IMPORTANT NOTE! Not complete main chain atoms for residue C 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue I 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue F 261 # IMPORTANT NOTE! Not complete main chain atoms for residue D 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue D 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue R 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 273 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 277 # IMPORTANT NOTE! Not complete main chain atoms for residue H 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 279 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue C 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue K 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 287 # IMPORTANT NOTE! Not complete main chain atoms for residue P 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue T 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue H 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 297 # IMPORTANT NOTE! Not complete main chain atoms for residue S 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue M 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue T 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue D 305 # IMPORTANT NOTE! Not complete main chain atoms for residue E 306 # IMPORTANT NOTE! Not complete main chain atoms for residue A 307 # IMPORTANT NOTE! Not complete main chain atoms for residue L 308 # IMPORTANT NOTE! Not complete main chain atoms for residue R 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue A 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 313 # IMPORTANT NOTE! Not complete main chain atoms for residue F 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0158 # Total number of residues in target: 319 # Total number of residues in model: 252 # Total number of atoms in model: 252 # Number of atoms with 1.0 occupancy: 252 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 252 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0158 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1JJI_D ATOM 55 CA ALA 59 45.182 116.629 10.592 1.00 1.00 ATOM 56 CA THR 60 41.814 115.754 12.189 1.00 1.00 ATOM 57 CA ARG 61 38.651 115.544 10.002 1.00 1.00 ATOM 58 CA ALA 62 35.114 114.258 10.378 1.00 1.00 ATOM 59 CA TYR 63 33.588 112.401 7.432 1.00 1.00 ATOM 60 CA MET 64 30.230 110.856 6.655 1.00 1.00 ATOM 61 CA VAL 65 30.296 107.633 4.638 1.00 1.00 ATOM 62 CA PRO 66 27.759 105.304 3.059 1.00 1.00 ATOM 63 CA THR 67 27.059 102.168 5.136 1.00 1.00 ATOM 64 CA LYS 68 24.339 99.544 4.549 1.00 1.00 ATOM 65 CA TYR 69 22.418 100.914 7.576 1.00 1.00 ATOM 66 CA GLY 70 22.845 104.392 6.156 1.00 1.00 ATOM 67 CA GLN 71 25.086 107.305 7.097 1.00 1.00 ATOM 68 CA VAL 72 28.110 106.508 9.316 1.00 1.00 ATOM 69 CA GLU 73 30.266 109.139 11.014 1.00 1.00 ATOM 70 CA THR 74 33.996 108.553 11.029 1.00 1.00 ATOM 71 CA ARG 75 36.806 110.731 12.471 1.00 1.00 ATOM 72 CA LEU 76 40.171 110.677 10.653 1.00 1.00 ATOM 73 CA PHE 77 43.363 111.434 12.610 1.00 1.00 ATOM 74 CA CYS 78 46.430 111.720 10.431 1.00 1.00 ATOM 75 CA PRO 79 49.759 112.670 11.919 1.00 1.00 ATOM 76 CA GLN 80 51.541 111.849 8.662 1.00 1.00 ATOM 77 CA PRO 81 50.316 110.998 5.125 1.00 1.00 ATOM 78 CA ASP 82 50.782 107.653 3.419 1.00 1.00 ATOM 80 CA ALA 85 49.663 102.672 8.289 1.00 1.00 ATOM 81 CA THR 86 46.127 102.889 9.776 1.00 1.00 ATOM 82 CA LEU 87 44.241 101.701 12.761 1.00 1.00 ATOM 83 CA PHE 88 40.468 101.557 12.323 1.00 1.00 ATOM 84 CA TYR 89 39.181 101.962 15.860 1.00 1.00 ATOM 85 CA LEU 90 35.843 101.130 17.526 1.00 1.00 ATOM 86 CA HIS 91 35.212 102.759 20.939 1.00 1.00 ATOM 87 CA GLY 92 33.887 100.828 23.957 1.00 1.00 ATOM 88 CA GLY 93 30.745 101.448 25.987 1.00 1.00 ATOM 89 CA GLY 94 28.737 98.230 26.367 1.00 1.00 ATOM 90 CA PHE 95 27.325 98.594 22.815 1.00 1.00 ATOM 91 CA ILE 96 25.100 101.314 24.316 1.00 1.00 ATOM 92 CA LEU 97 27.177 104.335 25.396 1.00 1.00 ATOM 93 CA GLY 98 30.375 106.277 24.655 1.00 1.00 ATOM 94 CA ASN 99 31.345 107.700 21.323 1.00 1.00 ATOM 95 CA LEU 100 34.073 109.021 19.099 1.00 1.00 ATOM 96 CA ASP 101 34.396 111.970 21.499 1.00 1.00 ATOM 97 CA THR 102 34.826 109.847 24.618 1.00 1.00 ATOM 98 CA HIS 103 37.752 108.048 22.906 1.00 1.00 ATOM 99 CA ASP 104 39.088 111.154 21.144 1.00 1.00 ATOM 100 CA ARG 105 42.175 111.707 23.402 1.00 1.00 ATOM 101 CA ILE 106 43.129 108.006 23.132 1.00 1.00 ATOM 102 CA MET 107 42.859 108.043 19.303 1.00 1.00 ATOM 103 CA ARG 108 44.854 111.289 19.022 1.00 1.00 ATOM 104 CA LEU 109 47.687 109.886 21.196 1.00 1.00 ATOM 105 CA LEU 110 48.020 106.677 19.141 1.00 1.00 ATOM 106 CA ALA 111 48.181 108.715 15.869 1.00 1.00 ATOM 107 CA SER 112 50.554 111.292 17.333 1.00 1.00 ATOM 108 CA TYR 113 53.037 108.735 18.823 1.00 1.00 ATOM 109 CA SER 114 52.940 106.546 15.672 1.00 1.00 ATOM 110 CA GLN 115 53.101 109.418 13.105 1.00 1.00 ATOM 111 CA CYS 116 50.333 107.408 11.414 1.00 1.00 ATOM 112 CA THR 117 46.621 107.322 10.899 1.00 1.00 ATOM 113 CA VAL 118 43.629 106.410 13.047 1.00 1.00 ATOM 114 CA ILE 119 40.001 106.269 11.839 1.00 1.00 ATOM 115 CA GLY 120 37.441 106.161 14.679 1.00 1.00 ATOM 116 CA ILE 121 33.998 104.777 13.935 1.00 1.00 ATOM 117 CA ASP 122 30.816 106.348 15.283 1.00 1.00 ATOM 118 CA TYR 123 28.761 103.150 15.048 1.00 1.00 ATOM 119 CA THR 124 25.031 102.827 15.746 1.00 1.00 ATOM 120 CA LEU 125 24.265 102.106 19.396 1.00 1.00 ATOM 121 CA SER 126 21.684 99.923 21.129 1.00 1.00 ATOM 122 CA PRO 127 18.788 99.659 22.015 1.00 1.00 ATOM 123 CA GLU 128 17.871 102.005 19.179 1.00 1.00 ATOM 124 CA ALA 129 20.005 99.821 16.917 1.00 1.00 ATOM 125 CA ARG 130 20.145 96.167 18.054 1.00 1.00 ATOM 126 CA PHE 131 22.812 93.652 17.045 1.00 1.00 ATOM 127 CA PRO 132 24.183 93.258 14.261 1.00 1.00 ATOM 128 CA GLN 133 23.751 96.954 13.316 1.00 1.00 ATOM 129 CA ALA 134 26.999 98.085 15.067 1.00 1.00 ATOM 130 CA ILE 135 28.987 95.121 13.691 1.00 1.00 ATOM 131 CA GLU 136 27.885 96.013 10.153 1.00 1.00 ATOM 132 CA GLU 137 28.638 99.732 10.621 1.00 1.00 ATOM 133 CA ILE 138 32.131 98.908 11.824 1.00 1.00 ATOM 134 CA VAL 139 32.627 96.481 8.917 1.00 1.00 ATOM 135 CA ALA 140 31.284 98.931 6.318 1.00 1.00 ATOM 136 CA ALA 141 33.585 101.690 7.660 1.00 1.00 ATOM 137 CA CYS 142 36.716 99.499 7.716 1.00 1.00 ATOM 138 CA CYS 143 36.030 98.239 4.215 1.00 1.00 ATOM 139 CA TYR 144 35.373 101.848 3.159 1.00 1.00 ATOM 140 CA PHE 145 38.804 102.787 4.576 1.00 1.00 ATOM 141 CA HIS 146 40.404 99.928 2.623 1.00 1.00 ATOM 142 CA GLN 147 38.723 100.875 -0.633 1.00 1.00 ATOM 143 CA GLN 148 39.644 104.560 -0.230 1.00 1.00 ATOM 144 CA ALA 149 43.323 104.114 0.711 1.00 1.00 ATOM 145 CA GLU 150 44.611 106.497 -1.947 1.00 1.00 ATOM 146 CA ASP 151 42.224 109.287 -1.026 1.00 1.00 ATOM 147 CA TYR 152 42.735 108.920 2.712 1.00 1.00 ATOM 148 CA GLN 153 46.447 108.778 1.953 1.00 1.00 ATOM 149 CA ILE 154 46.821 105.510 3.827 1.00 1.00 ATOM 150 CA ASN 155 49.043 102.514 3.225 1.00 1.00 ATOM 151 CA MET 156 46.543 99.841 1.972 1.00 1.00 ATOM 152 CA SER 157 49.138 97.219 2.858 1.00 1.00 ATOM 153 CA ARG 158 49.032 98.184 6.535 1.00 1.00 ATOM 154 CA ILE 159 45.476 98.319 7.806 1.00 1.00 ATOM 155 CA GLY 160 44.799 97.372 11.461 1.00 1.00 ATOM 156 CA PHE 161 41.567 97.045 13.419 1.00 1.00 ATOM 157 CA ALA 162 41.171 97.439 17.188 1.00 1.00 ATOM 158 CA GLY 163 38.859 98.542 19.970 1.00 1.00 ATOM 159 CA ASP 164 38.365 98.474 23.702 1.00 1.00 ATOM 160 CA SER 165 35.724 96.387 25.525 1.00 1.00 ATOM 161 CA ALA 166 32.654 96.199 23.315 1.00 1.00 ATOM 162 CA GLY 167 34.899 97.780 20.703 1.00 1.00 ATOM 163 CA ALA 168 37.381 94.943 21.073 1.00 1.00 ATOM 164 CA MET 169 34.484 92.624 20.393 1.00 1.00 ATOM 165 CA LEU 170 33.566 94.726 17.348 1.00 1.00 ATOM 166 CA ALA 171 37.160 94.558 16.081 1.00 1.00 ATOM 167 CA LEU 172 36.959 90.745 16.509 1.00 1.00 ATOM 168 CA ALA 173 33.621 90.569 14.653 1.00 1.00 ATOM 169 CA SER 174 34.890 92.814 11.854 1.00 1.00 ATOM 170 CA ALA 175 37.916 90.503 11.413 1.00 1.00 ATOM 171 CA LEU 176 35.612 87.443 11.150 1.00 1.00 ATOM 172 CA TRP 177 33.270 89.190 8.699 1.00 1.00 ATOM 173 CA LEU 178 36.199 90.132 6.455 1.00 1.00 ATOM 174 CA ARG 179 37.532 86.545 6.457 1.00 1.00 ATOM 175 CA ASP 180 34.124 85.004 5.608 1.00 1.00 ATOM 176 CA LYS 181 33.999 87.437 2.638 1.00 1.00 ATOM 177 CA GLN 182 37.452 86.258 1.621 1.00 1.00 ATOM 178 CA ILE 183 38.739 89.777 2.333 1.00 1.00 ATOM 179 CA GLY 186 42.435 89.929 3.269 1.00 1.00 ATOM 180 CA LYS 187 43.129 93.617 3.982 1.00 1.00 ATOM 181 CA VAL 188 43.206 93.354 7.784 1.00 1.00 ATOM 182 CA ALA 189 46.809 92.817 8.815 1.00 1.00 ATOM 183 CA GLY 190 46.430 92.882 12.597 1.00 1.00 ATOM 184 CA VAL 191 43.667 92.948 15.204 1.00 1.00 ATOM 185 CA LEU 192 44.111 94.718 18.533 1.00 1.00 ATOM 186 CA LEU 193 41.719 93.603 21.266 1.00 1.00 ATOM 187 CA TRP 194 41.835 95.621 24.485 1.00 1.00 ATOM 188 CA TYR 195 39.981 93.848 27.374 1.00 1.00 ATOM 189 CA GLY 196 37.291 92.647 24.989 1.00 1.00 ATOM 190 CA LEU 197 34.020 90.815 25.481 1.00 1.00 ATOM 191 CA TYR 198 33.918 87.726 23.297 1.00 1.00 ATOM 192 CA GLY 199 31.308 85.748 25.238 1.00 1.00 ATOM 193 CA LEU 200 27.660 86.542 26.065 1.00 1.00 ATOM 194 CA ARG 201 26.667 82.907 26.918 1.00 1.00 ATOM 195 CA ASP 202 29.077 80.984 29.212 1.00 1.00 ATOM 196 CA SER 203 30.638 81.941 32.588 1.00 1.00 ATOM 197 CA VAL 204 34.286 82.087 33.764 1.00 1.00 ATOM 198 CA THR 205 36.121 82.149 37.129 1.00 1.00 ATOM 199 CA ARG 206 36.989 85.849 36.746 1.00 1.00 ATOM 200 CA ARG 207 33.470 86.599 35.471 1.00 1.00 ATOM 201 CA LEU 208 32.388 85.353 38.874 1.00 1.00 ATOM 202 CA LEU 209 35.302 86.505 41.025 1.00 1.00 ATOM 203 CA GLY 210 34.944 90.189 40.066 1.00 1.00 ATOM 204 CA GLY 211 31.357 90.176 38.748 1.00 1.00 ATOM 206 CA VAL 212 32.998 94.057 43.830 1.00 1.00 ATOM 207 CA TRP 213 35.131 96.491 41.812 1.00 1.00 ATOM 208 CA ASP 214 34.110 99.950 40.632 1.00 1.00 ATOM 209 CA GLY 215 33.262 100.424 36.946 1.00 1.00 ATOM 210 CA LEU 216 32.238 96.895 35.813 1.00 1.00 ATOM 211 CA THR 217 29.950 94.327 37.484 1.00 1.00 ATOM 212 CA GLN 218 27.246 91.808 36.512 1.00 1.00 ATOM 213 CA GLN 219 24.511 94.382 37.049 1.00 1.00 ATOM 214 CA ASP 220 25.601 96.734 34.281 1.00 1.00 ATOM 215 CA LEU 221 26.848 93.844 32.152 1.00 1.00 ATOM 216 CA GLN 222 23.454 92.103 32.226 1.00 1.00 ATOM 217 CA MET 223 21.845 95.471 31.409 1.00 1.00 ATOM 218 CA TYR 224 24.094 96.034 28.330 1.00 1.00 ATOM 219 CA GLU 225 23.116 92.805 26.478 1.00 1.00 ATOM 220 CA GLU 226 19.447 93.327 27.204 1.00 1.00 ATOM 221 CA ALA 227 19.900 96.618 25.374 1.00 1.00 ATOM 222 CA TYR 228 22.089 94.975 22.746 1.00 1.00 ATOM 223 CA LEU 229 20.178 91.835 21.635 1.00 1.00 ATOM 224 CA SER 230 16.585 91.800 20.359 1.00 1.00 ATOM 225 CA ASN 231 16.354 87.983 20.214 1.00 1.00 ATOM 226 CA ASP 232 18.003 85.990 23.037 1.00 1.00 ATOM 227 CA ALA 233 19.203 83.521 20.391 1.00 1.00 ATOM 228 CA ASP 234 21.334 86.305 18.886 1.00 1.00 ATOM 229 CA ARG 235 23.714 85.709 21.818 1.00 1.00 ATOM 230 CA GLU 236 25.019 82.527 20.222 1.00 1.00 ATOM 231 CA SER 237 25.584 84.274 16.884 1.00 1.00 ATOM 232 CA PRO 238 29.297 84.068 15.931 1.00 1.00 ATOM 233 CA TYR 239 29.403 87.852 15.288 1.00 1.00 ATOM 234 CA TYR 240 28.533 88.428 18.942 1.00 1.00 ATOM 235 CA CYS 241 29.896 85.565 20.991 1.00 1.00 ATOM 236 CA LEU 242 32.828 85.623 18.504 1.00 1.00 ATOM 237 CA PHE 243 34.409 82.946 20.694 1.00 1.00 ATOM 238 CA ASN 244 32.290 80.288 18.899 1.00 1.00 ATOM 239 CA ASN 245 33.284 81.434 15.410 1.00 1.00 ATOM 240 CA ASP 246 35.600 79.739 12.917 1.00 1.00 ATOM 241 CA THR 248 38.964 81.249 13.942 1.00 1.00 ATOM 242 CA ARG 249 40.995 79.851 11.015 1.00 1.00 ATOM 243 CA GLU 250 42.879 82.388 8.860 1.00 1.00 ATOM 244 CA VAL 251 41.962 85.304 11.152 1.00 1.00 ATOM 245 CA PRO 252 44.385 88.251 11.407 1.00 1.00 ATOM 246 CA PRO 253 47.143 87.830 14.061 1.00 1.00 ATOM 247 CA CYS 254 46.143 89.453 17.346 1.00 1.00 ATOM 248 CA PHE 255 47.416 91.442 20.295 1.00 1.00 ATOM 249 CA ILE 256 45.177 90.879 23.300 1.00 1.00 ATOM 250 CA ALA 257 45.556 93.109 26.334 1.00 1.00 ATOM 251 CA GLY 258 43.702 92.194 29.510 1.00 1.00 ATOM 252 CA ALA 259 43.307 93.725 32.934 1.00 1.00 ATOM 253 CA GLU 260 44.110 91.702 36.056 1.00 1.00 ATOM 254 CA PHE 261 41.081 92.788 38.137 1.00 1.00 ATOM 255 CA ASP 262 38.461 92.463 35.444 1.00 1.00 ATOM 256 CA PRO 263 35.435 90.164 34.995 1.00 1.00 ATOM 257 CA LEU 264 36.266 89.958 31.284 1.00 1.00 ATOM 258 CA LEU 265 39.882 88.803 31.809 1.00 1.00 ATOM 259 CA ASP 266 39.726 84.957 31.412 1.00 1.00 ATOM 260 CA ASP 267 37.402 85.292 28.426 1.00 1.00 ATOM 261 CA SER 268 39.772 87.526 26.422 1.00 1.00 ATOM 262 CA ARG 269 42.685 85.120 26.968 1.00 1.00 ATOM 263 CA LEU 270 40.839 81.908 26.161 1.00 1.00 ATOM 264 CA LEU 271 40.002 83.729 22.950 1.00 1.00 ATOM 265 CA TYR 272 43.741 84.274 22.622 1.00 1.00 ATOM 266 CA GLN 273 44.537 80.593 23.262 1.00 1.00 ATOM 267 CA THR 274 41.851 79.491 20.782 1.00 1.00 ATOM 268 CA LEU 275 43.372 81.730 18.112 1.00 1.00 ATOM 269 CA ALA 276 46.681 79.926 18.739 1.00 1.00 ATOM 270 CA ALA 277 45.077 76.486 18.369 1.00 1.00 ATOM 271 CA HIS 278 43.453 77.665 15.158 1.00 1.00 ATOM 272 CA GLN 279 46.987 78.501 13.950 1.00 1.00 ATOM 273 CA GLN 280 46.633 82.297 14.187 1.00 1.00 ATOM 274 CA PRO 281 49.592 84.050 15.810 1.00 1.00 ATOM 275 CA CYS 282 48.573 85.971 18.952 1.00 1.00 ATOM 276 CA GLU 283 50.087 87.609 22.046 1.00 1.00 ATOM 277 CA PHE 284 48.138 87.552 25.315 1.00 1.00 ATOM 278 CA LYS 285 49.263 90.269 27.728 1.00 1.00 ATOM 279 CA LEU 286 47.929 90.717 31.268 1.00 1.00 ATOM 280 CA TYR 287 48.588 94.075 32.962 1.00 1.00 ATOM 281 CA PRO 288 48.683 93.515 36.721 1.00 1.00 ATOM 282 CA GLY 289 47.131 95.797 39.324 1.00 1.00 ATOM 283 CA THR 290 44.677 97.577 37.019 1.00 1.00 ATOM 284 CA LEU 291 40.972 97.112 36.173 1.00 1.00 ATOM 285 CA HIS 292 38.786 96.993 33.117 1.00 1.00 ATOM 286 CA ALA 293 38.852 100.245 31.120 1.00 1.00 ATOM 287 CA PHE 294 42.335 101.095 32.377 1.00 1.00 ATOM 288 CA LEU 295 43.689 102.444 29.054 1.00 1.00 ATOM 289 CA HIS 296 41.800 105.816 29.194 1.00 1.00 ATOM 290 CA TYR 297 43.664 106.883 32.373 1.00 1.00 ATOM 291 CA SER 298 47.130 107.021 30.765 1.00 1.00 ATOM 292 CA ARG 299 47.715 110.524 32.121 1.00 1.00 ATOM 293 CA MET 300 47.994 109.136 35.699 1.00 1.00 ATOM 294 CA MET 301 48.494 105.411 35.116 1.00 1.00 ATOM 295 CA LYS 302 51.845 104.179 33.680 1.00 1.00 ATOM 296 CA THR 303 50.363 100.786 32.831 1.00 1.00 ATOM 297 CA ALA 304 47.858 102.576 30.548 1.00 1.00 ATOM 298 CA ASP 305 50.665 104.536 28.903 1.00 1.00 ATOM 299 CA GLU 306 52.576 101.313 28.307 1.00 1.00 ATOM 300 CA ALA 307 49.511 99.522 26.910 1.00 1.00 ATOM 301 CA LEU 308 48.937 102.440 24.477 1.00 1.00 ATOM 302 CA ARG 309 52.659 102.307 23.535 1.00 1.00 ATOM 303 CA ASP 310 52.136 98.667 22.418 1.00 1.00 ATOM 304 CA GLY 311 49.362 99.799 20.060 1.00 1.00 ATOM 305 CA ALA 312 51.342 102.696 18.620 1.00 1.00 ATOM 306 CA GLN 313 54.305 100.293 18.270 1.00 1.00 ATOM 307 CA PHE 314 52.377 98.060 15.825 1.00 1.00 ATOM 308 CA PHE 315 51.836 101.083 13.550 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 05:11:07 2002 Date: Wed, 7 Aug 2002 05:11:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0158 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 04:43:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_570348_19358 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158TS007_4 Current information on models submitted in prediction T0158TS007 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_4 PIN_570348_19358 6269-7633-6117 08/07/02 04:43:20 casp5@bialko.llnl.gov T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_4 PIN_570348_19358 6269-7633-6117 08/07/02 04:43:20 casp5@bialko.llnl.gov T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1EVQ_A # Loading PARENT structure: 1evq (chain: A) # Number of residues in PARENT structure: 304 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 39 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue R 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue M 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue C 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue C 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue T 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue E 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue A 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue C 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue F 145 # IMPORTANT NOTE! Not complete main chain atoms for residue H 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue N 155 # IMPORTANT NOTE! Not complete main chain atoms for residue M 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue G 160 # IMPORTANT NOTE! Not complete main chain atoms for residue F 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue S 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue L 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue I 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue S 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue T 205 # IMPORTANT NOTE! Not complete main chain atoms for residue R 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue L 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue G 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 222 # IMPORTANT NOTE! Not complete main chain atoms for residue M 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 240 # IMPORTANT NOTE! Not complete main chain atoms for residue C 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue N 244 # IMPORTANT NOTE! Not complete main chain atoms for residue N 245 # IMPORTANT NOTE! Not complete main chain atoms for residue D 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue T 248 # IMPORTANT NOTE! Not complete main chain atoms for residue R 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue P 252 # IMPORTANT NOTE! Not complete main chain atoms for residue P 253 # IMPORTANT NOTE! Not complete main chain atoms for residue C 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue I 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue F 261 # IMPORTANT NOTE! Not complete main chain atoms for residue D 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue D 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue R 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 273 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 277 # IMPORTANT NOTE! Not complete main chain atoms for residue H 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 279 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue C 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue K 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 287 # IMPORTANT NOTE! Not complete main chain atoms for residue P 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue T 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue H 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 297 # IMPORTANT NOTE! Not complete main chain atoms for residue S 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue M 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue T 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue D 305 # IMPORTANT NOTE! Not complete main chain atoms for residue E 306 # IMPORTANT NOTE! Not complete main chain atoms for residue A 307 # IMPORTANT NOTE! Not complete main chain atoms for residue L 308 # IMPORTANT NOTE! Not complete main chain atoms for residue R 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue A 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 313 # IMPORTANT NOTE! Not complete main chain atoms for residue F 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue T 316 # IMPORTANT NOTE! Not complete main chain atoms for residue A 317 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 318 # IMPORTANT NOTE! Not complete main chain atoms for residue L 319 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0158 # Total number of residues in target: 319 # Total number of residues in model: 275 # Total number of atoms in model: 275 # Number of atoms with 1.0 occupancy: 275 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 275 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0158 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1EVQ_A ATOM 27 CA GLU 39 57.867 0.563 14.510 1.00 1.00 ATOM 28 CA GLN 40 60.173 -2.390 15.138 1.00 1.00 ATOM 29 CA ARG 41 57.578 -4.548 13.403 1.00 1.00 ATOM 30 CA GLN 42 57.095 -2.174 10.413 1.00 1.00 ATOM 31 CA TYR 43 60.854 -2.037 10.025 1.00 1.00 ATOM 32 CA TYR 44 61.253 -5.782 10.505 1.00 1.00 ATOM 33 CA THR 45 58.399 -5.934 8.015 1.00 1.00 ATOM 34 CA LEU 46 60.838 -4.915 5.232 1.00 1.00 ATOM 35 CA GLU 47 59.316 -6.688 2.332 1.00 1.00 ATOM 36 CA ARG 48 58.341 -4.910 -0.795 1.00 1.00 ATOM 37 CA ARG 49 61.057 -3.972 -3.297 1.00 1.00 ATOM 38 CA PHE 50 62.907 -6.816 -5.094 1.00 1.00 ATOM 39 CA TRP 51 66.547 -6.273 -5.945 1.00 1.00 ATOM 40 CA ASN 52 66.842 -3.260 -8.223 1.00 1.00 ATOM 41 CA ALA 53 69.477 -2.043 -10.686 1.00 1.00 ATOM 42 CA GLY 54 72.386 -0.085 -9.258 1.00 1.00 ATOM 43 CA ALA 55 73.774 2.309 -11.877 1.00 1.00 ATOM 44 CA PRO 56 77.514 2.691 -11.693 1.00 1.00 ATOM 45 CA GLU 57 79.506 5.616 -10.402 1.00 1.00 ATOM 46 CA MET 58 83.213 6.368 -10.146 1.00 1.00 ATOM 47 CA ALA 59 83.277 6.100 -6.344 1.00 1.00 ATOM 48 CA THR 60 81.048 5.421 -3.281 1.00 1.00 ATOM 49 CA ARG 61 82.224 6.479 0.155 1.00 1.00 ATOM 50 CA ALA 62 80.552 5.725 3.476 1.00 1.00 ATOM 51 CA TYR 63 81.798 7.419 6.666 1.00 1.00 ATOM 52 CA MET 64 80.764 9.186 9.874 1.00 1.00 ATOM 54 CA PRO 66 80.681 13.504 14.044 1.00 1.00 ATOM 55 CA THR 67 78.073 15.907 15.330 1.00 1.00 ATOM 56 CA LYS 68 77.473 17.275 18.848 1.00 1.00 ATOM 57 CA TYR 69 75.558 14.684 20.819 1.00 1.00 ATOM 58 CA GLY 70 75.418 12.230 17.946 1.00 1.00 ATOM 59 CA GLN 71 77.284 10.679 15.041 1.00 1.00 ATOM 60 CA VAL 72 75.603 10.138 11.607 1.00 1.00 ATOM 61 CA GLU 73 76.548 7.805 8.747 1.00 1.00 ATOM 62 CA THR 74 76.915 9.350 5.291 1.00 1.00 ATOM 63 CA ARG 75 77.317 7.697 1.903 1.00 1.00 ATOM 65 CA PHE 77 78.365 9.161 -4.543 1.00 1.00 ATOM 66 CA CYS 78 80.690 10.546 -7.242 1.00 1.00 ATOM 67 CA PRO 79 79.725 9.836 -10.857 1.00 1.00 ATOM 68 CA GLN 80 82.046 9.335 -13.839 1.00 1.00 ATOM 69 CA PRO 81 82.828 12.206 -16.136 1.00 1.00 ATOM 71 CA ASP 82 85.693 17.354 -12.606 1.00 1.00 ATOM 73 CA SER 83 85.118 21.656 -8.079 1.00 1.00 ATOM 74 CA PRO 84 81.984 19.495 -7.991 1.00 1.00 ATOM 75 CA ALA 85 78.249 20.509 -7.941 1.00 1.00 ATOM 76 CA THR 86 76.606 18.506 -5.183 1.00 1.00 ATOM 77 CA LEU 87 73.417 17.289 -3.544 1.00 1.00 ATOM 78 CA PHE 88 72.841 16.611 0.127 1.00 1.00 ATOM 79 CA TYR 89 70.051 14.009 0.051 1.00 1.00 ATOM 80 CA LEU 90 67.506 12.856 2.680 1.00 1.00 ATOM 81 CA HIS 91 65.775 9.514 2.130 1.00 1.00 ATOM 82 CA GLY 92 62.033 9.052 2.649 1.00 1.00 ATOM 83 CA GLY 93 60.252 6.643 5.017 1.00 1.00 ATOM 84 CA GLY 94 57.809 8.618 7.182 1.00 1.00 ATOM 85 CA PHE 95 60.598 9.845 9.504 1.00 1.00 ATOM 86 CA ILE 96 60.334 6.262 10.757 1.00 1.00 ATOM 87 CA LEU 97 61.793 3.762 8.277 1.00 1.00 ATOM 88 CA GLY 98 64.438 3.774 5.512 1.00 1.00 ATOM 89 CA ASN 99 68.253 3.955 5.573 1.00 1.00 ATOM 90 CA LEU 100 71.306 4.404 3.296 1.00 1.00 ATOM 91 CA ASP 101 70.794 1.143 1.438 1.00 1.00 ATOM 92 CA THR 102 67.058 1.390 0.715 1.00 1.00 ATOM 93 CA HIS 103 67.726 4.544 -1.286 1.00 1.00 ATOM 94 CA ASP 104 71.239 3.668 -2.541 1.00 1.00 ATOM 95 CA ARG 105 69.944 3.024 -6.106 1.00 1.00 ATOM 96 CA ILE 106 67.871 6.242 -6.283 1.00 1.00 ATOM 97 CA MET 107 70.954 8.213 -5.214 1.00 1.00 ATOM 98 CA ARG 108 73.031 6.428 -7.853 1.00 1.00 ATOM 99 CA LEU 109 70.677 7.646 -10.587 1.00 1.00 ATOM 100 CA LEU 110 70.519 11.209 -9.310 1.00 1.00 ATOM 101 CA ALA 111 74.322 11.094 -9.197 1.00 1.00 ATOM 102 CA SER 112 74.764 9.543 -12.675 1.00 1.00 ATOM 103 CA TYR 113 72.064 11.375 -14.572 1.00 1.00 ATOM 104 CA SER 114 72.265 14.503 -12.418 1.00 1.00 ATOM 105 CA GLN 115 76.040 14.879 -12.751 1.00 1.00 ATOM 106 CA CYS 116 76.523 15.819 -9.098 1.00 1.00 ATOM 107 CA THR 117 78.173 14.381 -6.004 1.00 1.00 ATOM 108 CA VAL 118 75.339 12.970 -3.882 1.00 1.00 ATOM 109 CA ILE 119 75.568 12.796 -0.099 1.00 1.00 ATOM 110 CA GLY 120 72.801 10.680 1.358 1.00 1.00 ATOM 111 CA ILE 121 72.519 11.490 5.097 1.00 1.00 ATOM 112 CA ASP 122 71.533 8.752 7.576 1.00 1.00 ATOM 113 CA TYR 123 69.426 10.859 9.974 1.00 1.00 ATOM 114 CA THR 124 67.910 9.751 13.320 1.00 1.00 ATOM 115 CA LEU 125 64.606 7.945 12.995 1.00 1.00 ATOM 116 CA SER 126 61.505 8.191 15.136 1.00 1.00 ATOM 117 CA PRO 127 59.927 7.172 17.465 1.00 1.00 ATOM 118 CA GLU 128 63.337 6.645 19.056 1.00 1.00 ATOM 119 CA ALA 129 64.264 10.234 18.178 1.00 1.00 ATOM 120 CA ARG 130 61.131 12.355 17.980 1.00 1.00 ATOM 121 CA PHE 131 60.550 15.510 16.030 1.00 1.00 ATOM 122 CA PRO 132 62.683 17.493 15.713 1.00 1.00 ATOM 123 CA GLN 133 65.766 15.247 15.731 1.00 1.00 ATOM 124 CA ALA 134 65.377 14.643 11.977 1.00 1.00 ATOM 125 CA ILE 135 65.228 18.315 11.080 1.00 1.00 ATOM 126 CA GLU 136 68.252 19.222 13.202 1.00 1.00 ATOM 127 CA GLU 137 70.069 16.287 11.664 1.00 1.00 ATOM 128 CA ILE 138 69.178 17.458 8.160 1.00 1.00 ATOM 129 CA VAL 139 70.448 20.987 8.767 1.00 1.00 ATOM 130 CA ALA 140 73.546 20.115 10.834 1.00 1.00 ATOM 131 CA ALA 141 74.396 17.535 8.119 1.00 1.00 ATOM 132 CA CYS 142 74.262 20.027 5.268 1.00 1.00 ATOM 133 CA CYS 143 76.481 22.372 7.269 1.00 1.00 ATOM 134 CA TYR 144 79.055 19.748 8.195 1.00 1.00 ATOM 135 CA PHE 145 79.387 19.023 4.457 1.00 1.00 ATOM 136 CA HIS 146 79.373 22.614 3.206 1.00 1.00 ATOM 137 CA GLN 147 81.924 23.657 5.835 1.00 1.00 ATOM 138 CA GLN 148 84.229 21.232 4.025 1.00 1.00 ATOM 139 CA ALA 149 83.517 22.012 0.381 1.00 1.00 ATOM 140 CA GLU 150 87.274 22.264 -0.141 1.00 1.00 ATOM 141 CA ASP 151 87.919 18.785 1.307 1.00 1.00 ATOM 142 CA TYR 152 85.359 17.316 -1.092 1.00 1.00 ATOM 143 CA GLN 153 86.361 19.549 -4.032 1.00 1.00 ATOM 144 CA ILE 154 82.981 21.240 -4.052 1.00 1.00 ATOM 145 CA ASN 155 81.698 24.332 -5.795 1.00 1.00 ATOM 146 CA MET 156 80.101 26.009 -2.689 1.00 1.00 ATOM 147 CA SER 157 77.783 27.898 -5.003 1.00 1.00 ATOM 148 CA ARG 158 76.405 24.731 -6.564 1.00 1.00 ATOM 149 CA ILE 159 75.385 22.711 -3.516 1.00 1.00 ATOM 150 CA GLY 160 71.743 21.692 -3.533 1.00 1.00 ATOM 151 CA PHE 161 69.421 19.821 -1.140 1.00 1.00 ATOM 152 CA ALA 162 66.742 17.289 -1.986 1.00 1.00 ATOM 153 CA GLY 163 64.767 14.291 -0.767 1.00 1.00 ATOM 154 CA ASP 164 61.777 12.049 -1.322 1.00 1.00 ATOM 155 CA SER 165 58.601 12.106 0.819 1.00 1.00 ATOM 156 CA ALA 166 59.651 12.748 4.425 1.00 1.00 ATOM 157 CA GLY 167 63.064 13.373 2.966 1.00 1.00 ATOM 158 CA ALA 168 61.529 16.044 0.794 1.00 1.00 ATOM 159 CA MET 169 60.053 17.594 3.900 1.00 1.00 ATOM 160 CA LEU 170 63.502 17.782 5.559 1.00 1.00 ATOM 161 CA ALA 171 64.943 19.489 2.489 1.00 1.00 ATOM 162 CA LEU 172 62.238 22.152 2.387 1.00 1.00 ATOM 163 CA ALA 173 62.628 22.751 6.058 1.00 1.00 ATOM 164 CA SER 174 66.443 22.867 5.828 1.00 1.00 ATOM 165 CA ALA 175 66.090 25.435 3.062 1.00 1.00 ATOM 166 CA LEU 176 64.167 27.565 5.539 1.00 1.00 ATOM 167 CA TRP 177 66.641 27.277 8.426 1.00 1.00 ATOM 168 CA LEU 178 69.531 28.024 6.109 1.00 1.00 ATOM 169 CA ARG 179 67.660 31.213 5.176 1.00 1.00 ATOM 170 CA ASP 180 67.099 32.240 8.800 1.00 1.00 ATOM 171 CA LYS 181 70.705 31.569 9.733 1.00 1.00 ATOM 172 CA GLN 182 72.124 33.102 6.549 1.00 1.00 ATOM 173 CA ILE 183 73.615 30.047 4.910 1.00 1.00 ATOM 174 CA GLY 186 75.142 27.826 3.924 1.00 1.00 ATOM 175 CA LYS 187 74.177 28.851 0.415 1.00 1.00 ATOM 176 CA VAL 188 71.751 26.333 -0.997 1.00 1.00 ATOM 177 CA ALA 189 71.667 26.498 -4.738 1.00 1.00 ATOM 178 CA GLY 190 68.551 24.360 -5.238 1.00 1.00 ATOM 179 CA VAL 191 65.696 22.246 -3.790 1.00 1.00 ATOM 180 CA LEU 192 64.779 18.912 -5.382 1.00 1.00 ATOM 181 CA LEU 193 61.545 17.755 -3.751 1.00 1.00 ATOM 182 CA TRP 194 60.230 14.342 -4.788 1.00 1.00 ATOM 183 CA TYR 195 56.579 13.797 -3.746 1.00 1.00 ATOM 184 CA GLY 196 57.404 15.672 -0.520 1.00 1.00 ATOM 185 CA LEU 197 55.358 15.852 2.686 1.00 1.00 ATOM 186 CA TYR 198 55.458 19.647 3.043 1.00 1.00 ATOM 187 CA GLY 199 52.260 19.863 5.083 1.00 1.00 ATOM 188 CA LEU 200 48.944 21.688 5.156 1.00 1.00 ATOM 189 CA ARG 201 46.210 22.890 7.533 1.00 1.00 ATOM 190 CA ASP 202 44.630 19.675 8.864 1.00 1.00 ATOM 191 CA SER 203 41.358 21.553 9.302 1.00 1.00 ATOM 194 CA VAL 204 43.599 19.317 0.068 1.00 1.00 ATOM 195 CA THR 205 41.448 17.067 -2.113 1.00 1.00 ATOM 196 CA ARG 206 44.158 14.522 -2.943 1.00 1.00 ATOM 197 CA ARG 207 44.196 13.571 0.738 1.00 1.00 ATOM 198 CA LEU 208 40.613 12.248 0.592 1.00 1.00 ATOM 199 CA LEU 209 40.780 11.365 -3.121 1.00 1.00 ATOM 200 CA GLY 210 43.697 8.923 -2.928 1.00 1.00 ATOM 201 CA GLY 211 43.093 7.821 0.665 1.00 1.00 ATOM 202 CA VAL 212 43.229 4.074 -0.070 1.00 1.00 ATOM 203 CA TRP 213 44.663 1.460 -2.413 1.00 1.00 ATOM 204 CA ASP 214 47.662 3.416 -3.603 1.00 1.00 ATOM 205 CA GLY 215 50.415 2.155 -1.291 1.00 1.00 ATOM 206 CA LEU 216 50.564 5.280 0.875 1.00 1.00 ATOM 207 CA THR 217 47.221 5.358 2.694 1.00 1.00 ATOM 208 CA GLN 218 45.436 7.631 5.117 1.00 1.00 ATOM 209 CA GLN 219 45.941 5.157 7.938 1.00 1.00 ATOM 212 CA GLN 222 48.407 8.935 10.604 1.00 1.00 ATOM 213 CA MET 223 50.684 6.201 11.964 1.00 1.00 ATOM 214 CA TYR 224 53.718 8.199 10.719 1.00 1.00 ATOM 215 CA GLU 225 52.482 11.462 12.147 1.00 1.00 ATOM 216 CA GLU 226 52.067 9.481 15.435 1.00 1.00 ATOM 217 CA ALA 227 55.477 7.854 15.718 1.00 1.00 ATOM 218 CA TYR 228 57.150 11.096 14.683 1.00 1.00 ATOM 219 CA LEU 229 55.385 13.918 16.557 1.00 1.00 ATOM 220 CA SER 230 55.066 14.773 20.255 1.00 1.00 ATOM 221 CA ASN 231 51.821 16.675 20.275 1.00 1.00 ATOM 222 CA ASP 232 48.759 17.633 18.311 1.00 1.00 ATOM 223 CA ALA 233 49.892 21.226 18.458 1.00 1.00 ATOM 224 CA ASP 234 52.947 20.223 16.458 1.00 1.00 ATOM 225 CA ARG 235 50.759 19.487 13.456 1.00 1.00 ATOM 226 CA GLU 236 50.962 23.190 12.453 1.00 1.00 ATOM 227 CA SER 237 54.560 23.892 13.483 1.00 1.00 ATOM 228 CA PRO 238 56.561 25.240 10.502 1.00 1.00 ATOM 229 CA TYR 239 59.389 22.729 11.049 1.00 1.00 ATOM 230 CA TYR 240 56.773 20.012 10.247 1.00 1.00 ATOM 231 CA CYS 241 54.593 21.898 7.725 1.00 1.00 ATOM 232 CA LEU 242 57.046 24.236 5.996 1.00 1.00 ATOM 233 CA PHE 243 54.080 25.390 3.881 1.00 1.00 ATOM 234 CA ASN 244 52.751 27.287 6.920 1.00 1.00 ATOM 235 CA ASN 245 55.957 29.245 7.404 1.00 1.00 ATOM 236 CA ASP 246 55.494 33.081 7.466 1.00 1.00 ATOM 237 CA LEU 247 57.898 34.304 4.777 1.00 1.00 ATOM 238 CA THR 248 58.594 31.611 2.192 1.00 1.00 ATOM 239 CA ARG 249 60.157 34.384 0.151 1.00 1.00 ATOM 240 CA GLU 250 63.866 34.351 -0.692 1.00 1.00 ATOM 241 CA VAL 251 64.197 30.579 -0.606 1.00 1.00 ATOM 242 CA PRO 252 66.210 28.475 -3.132 1.00 1.00 ATOM 243 CA PRO 253 64.523 27.911 -6.513 1.00 1.00 ATOM 244 CA CYS 254 63.031 24.452 -6.761 1.00 1.00 ATOM 245 CA PHE 255 61.674 21.470 -8.678 1.00 1.00 ATOM 246 CA ILE 256 58.747 19.515 -7.222 1.00 1.00 ATOM 247 CA ALA 257 57.489 16.224 -8.608 1.00 1.00 ATOM 248 CA GLY 258 54.109 14.807 -7.605 1.00 1.00 ATOM 249 CA ALA 259 52.205 11.627 -8.479 1.00 1.00 ATOM 250 CA GLU 260 48.661 11.411 -9.769 1.00 1.00 ATOM 251 CA PHE 261 47.519 8.709 -7.369 1.00 1.00 ATOM 252 CA ASP 262 49.385 10.061 -4.341 1.00 1.00 ATOM 253 CA PRO 263 47.479 11.399 -1.330 1.00 1.00 ATOM 254 CA LEU 264 50.292 14.024 -1.154 1.00 1.00 ATOM 255 CA LEU 265 49.686 15.175 -4.757 1.00 1.00 ATOM 256 CA ASP 266 47.946 18.424 -3.760 1.00 1.00 ATOM 257 CA ASP 267 50.276 18.872 -0.786 1.00 1.00 ATOM 258 CA SER 268 53.300 19.350 -3.011 1.00 1.00 ATOM 259 CA ARG 269 51.165 21.376 -5.407 1.00 1.00 ATOM 260 CA LEU 270 50.177 23.503 -2.425 1.00 1.00 ATOM 261 CA LEU 271 53.834 24.069 -1.675 1.00 1.00 ATOM 262 CA TYR 272 54.599 24.938 -5.275 1.00 1.00 ATOM 263 CA GLN 273 51.658 27.297 -5.182 1.00 1.00 ATOM 264 CA THR 274 53.056 28.952 -2.024 1.00 1.00 ATOM 265 CA LEU 275 56.676 29.501 -3.023 1.00 1.00 ATOM 266 CA ALA 276 55.439 31.114 -6.234 1.00 1.00 ATOM 267 CA ALA 277 53.446 33.622 -4.188 1.00 1.00 ATOM 268 CA HIS 278 56.534 34.655 -2.207 1.00 1.00 ATOM 269 CA GLN 279 58.249 35.089 -5.554 1.00 1.00 ATOM 270 CA GLN 280 60.495 32.016 -5.751 1.00 1.00 ATOM 271 CA PRO 281 61.286 30.246 -9.009 1.00 1.00 ATOM 272 CA CYS 282 59.576 26.848 -9.047 1.00 1.00 ATOM 273 CA GLU 283 58.699 24.121 -11.578 1.00 1.00 ATOM 274 CA PHE 284 56.259 21.342 -10.678 1.00 1.00 ATOM 275 CA LYS 285 55.305 18.245 -12.694 1.00 1.00 ATOM 276 CA LEU 286 52.665 15.587 -11.975 1.00 1.00 ATOM 277 CA TYR 287 53.408 12.153 -13.324 1.00 1.00 ATOM 278 CA PRO 288 50.038 10.925 -14.476 1.00 1.00 ATOM 279 CA GLY 289 50.557 7.201 -14.182 1.00 1.00 ATOM 280 CA THR 290 52.489 6.858 -10.922 1.00 1.00 ATOM 281 CA LEU 291 51.959 6.509 -7.154 1.00 1.00 ATOM 282 CA HIS 292 53.815 7.728 -4.076 1.00 1.00 ATOM 283 CA ALA 293 57.290 6.246 -3.746 1.00 1.00 ATOM 284 CA PHE 294 57.770 5.467 -7.425 1.00 1.00 ATOM 285 CA LEU 295 61.439 6.390 -7.412 1.00 1.00 ATOM 286 CA HIS 296 62.081 3.115 -5.658 1.00 1.00 ATOM 287 CA TYR 297 60.716 1.109 -8.564 1.00 1.00 ATOM 288 CA SER 298 63.458 2.353 -10.850 1.00 1.00 ATOM 289 CA ARG 299 64.534 -0.367 -13.330 1.00 1.00 ATOM 290 CA MET 300 61.437 -2.319 -12.335 1.00 1.00 ATOM 291 CA MET 301 58.577 -0.179 -13.677 1.00 1.00 ATOM 292 CA LYS 302 58.920 1.356 -17.093 1.00 1.00 ATOM 293 CA THR 303 57.172 4.517 -15.900 1.00 1.00 ATOM 294 CA ALA 304 59.156 5.031 -12.706 1.00 1.00 ATOM 295 CA ASP 305 62.430 4.422 -14.538 1.00 1.00 ATOM 296 CA GLU 306 61.616 7.221 -16.977 1.00 1.00 ATOM 297 CA ALA 307 60.431 9.616 -14.260 1.00 1.00 ATOM 298 CA LEU 308 63.462 9.304 -11.989 1.00 1.00 ATOM 299 CA ARG 309 65.875 9.978 -14.862 1.00 1.00 ATOM 300 CA ASP 310 63.710 12.926 -15.910 1.00 1.00 ATOM 301 CA GLY 311 63.988 14.184 -12.321 1.00 1.00 ATOM 302 CA ALA 312 67.758 13.674 -12.247 1.00 1.00 ATOM 303 CA GLN 313 67.970 15.672 -15.467 1.00 1.00 ATOM 304 CA PHE 314 66.220 18.683 -13.985 1.00 1.00 ATOM 305 CA PHE 315 68.833 18.593 -11.249 1.00 1.00 ATOM 306 CA THR 316 71.581 18.611 -13.893 1.00 1.00 ATOM 307 CA ALA 317 70.180 21.729 -15.600 1.00 1.00 ATOM 308 CA GLN 318 69.360 23.599 -12.400 1.00 1.00 ATOM 309 CA LEU 319 72.922 23.061 -11.129 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 05:10:08 2002 Date: Wed, 7 Aug 2002 05:10:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0158 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 04:42:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_557603_19354 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0158TS007_5 Current information on models submitted in prediction T0158TS007 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 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 T0158 MODEL_INDEX PIN CODE DATE E-mail T0158TS007_1 PIN_492382_19333 6269-7633-6117 08/07/02 04:35:56 casp5@bialko.llnl.gov T0158TS007_2 PIN_498183_19334 6269-7633-6117 08/07/02 04:36:14 casp5@bialko.llnl.gov T0158TS007_5 PIN_557603_19354 6269-7633-6117 08/07/02 04:42:08 casp5@bialko.llnl.gov T0158SS007_1 PIN_412217_12788 6269-7633-6117 07/19/02 15:29:28 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 T0158 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JJI_A # Loading PARENT structure: 1jji (chain: A) # Number of residues in PARENT structure: 311 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue C 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue C 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue T 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue E 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue A 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue C 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue F 145 # IMPORTANT NOTE! Not complete main chain atoms for residue H 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue N 155 # IMPORTANT NOTE! Not complete main chain atoms for residue M 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue G 160 # IMPORTANT NOTE! Not complete main chain atoms for residue F 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue S 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue L 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue I 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 195 # IMPORTANT NOTE! Not complete main chain atoms for residue G 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue S 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue T 205 # IMPORTANT NOTE! Not complete main chain atoms for residue R 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue L 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue G 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 222 # IMPORTANT NOTE! Not complete main chain atoms for residue M 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 240 # IMPORTANT NOTE! Not complete main chain atoms for residue C 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue N 244 # IMPORTANT NOTE! Not complete main chain atoms for residue N 245 # IMPORTANT NOTE! Not complete main chain atoms for residue D 246 # IMPORTANT NOTE! Not complete main chain atoms for residue T 248 # IMPORTANT NOTE! Not complete main chain atoms for residue R 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue P 252 # IMPORTANT NOTE! Not complete main chain atoms for residue P 253 # IMPORTANT NOTE! Not complete main chain atoms for residue C 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue I 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue F 261 # IMPORTANT NOTE! Not complete main chain atoms for residue D 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue L 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue D 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue R 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 273 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 277 # IMPORTANT NOTE! Not complete main chain atoms for residue H 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 279 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue C 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue K 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 287 # IMPORTANT NOTE! Not complete main chain atoms for residue P 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue T 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue H 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 297 # IMPORTANT NOTE! Not complete main chain atoms for residue S 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue M 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue T 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue D 305 # IMPORTANT NOTE! Not complete main chain atoms for residue E 306 # IMPORTANT NOTE! Not complete main chain atoms for residue A 307 # IMPORTANT NOTE! Not complete main chain atoms for residue L 308 # IMPORTANT NOTE! Not complete main chain atoms for residue R 309 # IMPORTANT NOTE! Not complete main chain atoms for residue D 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue A 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 313 # IMPORTANT NOTE! Not complete main chain atoms for residue F 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0158 # Total number of residues in target: 319 # Total number of residues in model: 252 # Total number of atoms in model: 252 # Number of atoms with 1.0 occupancy: 252 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 252 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0158 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JJI_A ATOM 55 CA ALA 59 46.748 120.896 88.795 1.00 1.00 ATOM 56 CA THR 60 44.131 120.763 86.069 1.00 1.00 ATOM 57 CA ARG 61 43.591 124.029 84.258 1.00 1.00 ATOM 58 CA ALA 62 40.968 124.946 81.660 1.00 1.00 ATOM 59 CA TYR 63 42.350 127.548 79.246 1.00 1.00 ATOM 60 CA MET 64 40.768 129.238 76.271 1.00 1.00 ATOM 61 CA VAL 65 43.101 129.774 73.310 1.00 1.00 ATOM 62 CA PRO 66 42.958 131.359 69.783 1.00 1.00 ATOM 63 CA THR 67 42.469 128.961 66.916 1.00 1.00 ATOM 64 CA LYS 68 41.755 130.010 63.349 1.00 1.00 ATOM 65 CA TYR 69 38.130 128.894 63.976 1.00 1.00 ATOM 66 CA GLY 70 37.818 131.054 67.086 1.00 1.00 ATOM 67 CA GLN 71 38.035 130.096 70.760 1.00 1.00 ATOM 68 CA VAL 72 39.349 126.620 71.646 1.00 1.00 ATOM 69 CA GLU 73 39.198 125.347 75.217 1.00 1.00 ATOM 70 CA THR 74 42.014 122.996 76.344 1.00 1.00 ATOM 71 CA ARG 75 42.433 121.192 79.665 1.00 1.00 ATOM 72 CA LEU 76 45.993 121.084 81.051 1.00 1.00 ATOM 73 CA PHE 77 46.623 118.250 83.495 1.00 1.00 ATOM 74 CA CYS 78 50.001 118.888 85.039 1.00 1.00 ATOM 75 CA PRO 79 51.358 116.491 87.627 1.00 1.00 ATOM 76 CA GLN 80 54.838 118.062 87.505 1.00 1.00 ATOM 77 CA PRO 81 56.186 121.274 85.880 1.00 1.00 ATOM 78 CA ASP 82 58.937 121.276 83.207 1.00 1.00 ATOM 80 CA ALA 85 57.081 116.132 78.665 1.00 1.00 ATOM 81 CA THR 86 53.578 116.720 77.228 1.00 1.00 ATOM 82 CA LEU 87 51.035 114.671 75.418 1.00 1.00 ATOM 83 CA PHE 88 48.519 116.699 73.417 1.00 1.00 ATOM 84 CA TYR 89 45.420 114.499 73.378 1.00 1.00 ATOM 85 CA LEU 90 42.325 114.391 71.180 1.00 1.00 ATOM 86 CA HIS 91 39.265 112.491 72.500 1.00 1.00 ATOM 87 CA GLY 92 37.290 109.929 70.461 1.00 1.00 ATOM 88 CA GLY 93 33.571 110.011 69.642 1.00 1.00 ATOM 89 CA GLY 94 33.247 109.739 65.843 1.00 1.00 ATOM 90 CA PHE 95 33.950 113.481 65.392 1.00 1.00 ATOM 91 CA ILE 96 30.388 113.907 66.761 1.00 1.00 ATOM 92 CA LEU 97 30.150 113.022 70.458 1.00 1.00 ATOM 93 CA GLY 98 32.242 112.838 73.630 1.00 1.00 ATOM 94 CA ASN 99 34.261 115.627 75.179 1.00 1.00 ATOM 95 CA LEU 100 37.065 116.637 77.457 1.00 1.00 ATOM 96 CA ASP 101 34.854 115.531 80.388 1.00 1.00 ATOM 97 CA THR 102 34.206 112.062 78.941 1.00 1.00 ATOM 98 CA HIS 103 37.986 111.322 78.754 1.00 1.00 ATOM 99 CA ASP 104 38.882 113.226 81.883 1.00 1.00 ATOM 100 CA ARG 105 39.725 110.146 83.976 1.00 1.00 ATOM 101 CA ILE 106 41.919 108.744 81.177 1.00 1.00 ATOM 102 CA MET 107 43.979 111.941 80.778 1.00 1.00 ATOM 103 CA ARG 108 44.314 112.397 84.581 1.00 1.00 ATOM 104 CA LEU 109 45.624 108.835 84.852 1.00 1.00 ATOM 105 CA LEU 110 48.160 109.385 82.068 1.00 1.00 ATOM 106 CA ALA 111 49.428 112.630 83.639 1.00 1.00 ATOM 107 CA SER 112 49.446 111.134 87.169 1.00 1.00 ATOM 108 CA TYR 113 51.248 107.895 86.276 1.00 1.00 ATOM 109 CA SER 114 53.866 109.727 84.201 1.00 1.00 ATOM 110 CA GLN 115 54.339 112.703 86.530 1.00 1.00 ATOM 111 CA CYS 116 54.024 114.839 83.459 1.00 1.00 ATOM 112 CA THR 117 51.568 116.889 81.399 1.00 1.00 ATOM 113 CA VAL 118 48.611 116.159 79.204 1.00 1.00 ATOM 114 CA ILE 119 46.785 118.849 77.157 1.00 1.00 ATOM 115 CA GLY 120 43.292 117.629 76.140 1.00 1.00 ATOM 116 CA ILE 121 41.695 119.549 73.241 1.00 1.00 ATOM 117 CA ASP 122 38.010 120.534 73.147 1.00 1.00 ATOM 118 CA TYR 123 37.753 120.507 69.318 1.00 1.00 ATOM 119 CA THR 124 34.662 121.568 67.294 1.00 1.00 ATOM 120 CA LEU 125 32.196 118.698 66.732 1.00 1.00 ATOM 121 CA SER 126 30.214 117.679 63.641 1.00 1.00 ATOM 122 CA PRO 127 27.649 118.073 62.200 1.00 1.00 ATOM 123 CA GLU 128 27.698 121.596 63.716 1.00 1.00 ATOM 124 CA ALA 129 31.263 122.047 62.360 1.00 1.00 ATOM 125 CA ARG 130 32.092 119.893 59.348 1.00 1.00 ATOM 126 CA PHE 131 35.445 118.431 58.422 1.00 1.00 ATOM 127 CA PRO 132 38.097 119.907 58.501 1.00 1.00 ATOM 128 CA GLN 133 37.163 122.219 61.422 1.00 1.00 ATOM 129 CA ALA 134 38.232 119.642 64.081 1.00 1.00 ATOM 130 CA ILE 135 41.552 118.965 62.323 1.00 1.00 ATOM 131 CA GLU 136 42.377 122.718 62.426 1.00 1.00 ATOM 132 CA GLU 137 41.298 123.087 66.055 1.00 1.00 ATOM 133 CA ILE 138 43.602 120.189 67.003 1.00 1.00 ATOM 134 CA VAL 139 46.512 121.512 64.946 1.00 1.00 ATOM 135 CA ALA 140 46.082 125.050 66.268 1.00 1.00 ATOM 136 CA ALA 141 45.963 123.823 69.882 1.00 1.00 ATOM 137 CA CYS 142 49.042 121.617 69.311 1.00 1.00 ATOM 138 CA CYS 143 51.051 124.460 67.769 1.00 1.00 ATOM 139 CA TYR 144 49.941 126.710 70.631 1.00 1.00 ATOM 140 CA PHE 145 51.420 124.181 73.042 1.00 1.00 ATOM 141 CA HIS 146 54.698 124.153 71.141 1.00 1.00 ATOM 142 CA GLN 147 54.784 127.976 71.022 1.00 1.00 ATOM 143 CA GLN 148 53.908 128.463 74.681 1.00 1.00 ATOM 144 CA ALA 149 56.331 125.928 76.158 1.00 1.00 ATOM 145 CA GLU 150 57.670 128.265 78.920 1.00 1.00 ATOM 146 CA ASP 151 54.262 129.562 79.923 1.00 1.00 ATOM 147 CA TYR 152 52.816 126.045 80.194 1.00 1.00 ATOM 148 CA GLN 153 55.960 124.813 81.921 1.00 1.00 ATOM 149 CA ILE 154 56.435 121.904 79.530 1.00 1.00 ATOM 150 CA ASN 155 59.533 120.476 77.858 1.00 1.00 ATOM 151 CA MET 156 59.461 121.799 74.247 1.00 1.00 ATOM 152 CA SER 157 61.813 118.991 73.233 1.00 1.00 ATOM 153 CA ARG 158 59.300 116.337 74.407 1.00 1.00 ATOM 154 CA ILE 159 55.917 117.095 72.795 1.00 1.00 ATOM 155 CA GLY 160 53.744 114.099 71.845 1.00 1.00 ATOM 156 CA PHE 161 50.344 113.868 70.162 1.00 1.00 ATOM 157 CA ALA 162 47.763 111.106 70.503 1.00 1.00 ATOM 158 CA GLY 163 44.096 110.230 70.564 1.00 1.00 ATOM 159 CA ASP 164 41.642 107.343 70.536 1.00 1.00 ATOM 160 CA SER 165 39.308 106.497 67.604 1.00 1.00 ATOM 161 CA ALA 166 38.406 109.726 65.812 1.00 1.00 ATOM 162 CA GLY 167 41.061 111.160 68.123 1.00 1.00 ATOM 163 CA ALA 168 43.739 108.865 66.749 1.00 1.00 ATOM 164 CA MET 169 42.659 110.018 63.310 1.00 1.00 ATOM 165 CA LEU 170 43.059 113.614 64.489 1.00 1.00 ATOM 166 CA ALA 171 46.529 112.943 65.917 1.00 1.00 ATOM 167 CA LEU 172 47.610 111.490 62.574 1.00 1.00 ATOM 168 CA ALA 173 46.091 114.450 60.644 1.00 1.00 ATOM 169 CA SER 174 47.802 116.896 62.993 1.00 1.00 ATOM 170 CA ALA 175 51.182 115.176 62.504 1.00 1.00 ATOM 171 CA LEU 176 50.720 115.375 58.715 1.00 1.00 ATOM 172 CA TRP 177 49.654 119.026 58.858 1.00 1.00 ATOM 173 CA LEU 178 52.771 119.806 60.969 1.00 1.00 ATOM 174 CA ARG 179 55.025 117.887 58.541 1.00 1.00 ATOM 175 CA ASP 180 53.466 119.700 55.545 1.00 1.00 ATOM 176 CA LYS 181 54.199 123.024 57.331 1.00 1.00 ATOM 177 CA GLN 182 57.827 122.056 57.891 1.00 1.00 ATOM 178 CA ILE 183 57.265 121.991 61.664 1.00 1.00 ATOM 179 CA GLY 186 59.273 119.402 63.601 1.00 1.00 ATOM 180 CA LYS 187 58.118 119.815 67.251 1.00 1.00 ATOM 181 CA VAL 188 56.114 116.523 67.415 1.00 1.00 ATOM 182 CA ALA 189 58.345 113.735 68.692 1.00 1.00 ATOM 183 CA GLY 190 55.830 110.867 68.733 1.00 1.00 ATOM 184 CA VAL 191 52.301 110.083 67.572 1.00 1.00 ATOM 185 CA LEU 192 50.116 107.657 69.617 1.00 1.00 ATOM 186 CA LEU 193 47.183 106.266 67.674 1.00 1.00 ATOM 187 CA TRP 194 44.709 104.269 69.746 1.00 1.00 ATOM 188 CA TYR 195 42.479 102.186 67.396 1.00 1.00 ATOM 189 CA GLY 196 42.238 105.075 64.940 1.00 1.00 ATOM 190 CA LEU 197 40.050 105.394 61.894 1.00 1.00 ATOM 191 CA TYR 198 42.438 106.261 59.000 1.00 1.00 ATOM 192 CA GLY 199 40.230 105.397 56.016 1.00 1.00 ATOM 193 CA LEU 200 36.769 106.422 54.911 1.00 1.00 ATOM 194 CA ARG 201 36.872 105.150 51.326 1.00 1.00 ATOM 195 CA ASP 202 38.106 101.507 50.978 1.00 1.00 ATOM 196 CA SER 203 36.879 98.354 52.731 1.00 1.00 ATOM 197 CA VAL 204 38.994 95.859 54.694 1.00 1.00 ATOM 198 CA THR 205 38.325 92.290 55.903 1.00 1.00 ATOM 199 CA ARG 206 37.864 93.447 59.496 1.00 1.00 ATOM 200 CA ARG 207 35.440 96.157 58.374 1.00 1.00 ATOM 201 CA LEU 208 33.298 93.493 56.704 1.00 1.00 ATOM 202 CA LEU 209 33.823 90.837 59.409 1.00 1.00 ATOM 203 CA GLY 210 32.849 93.090 62.339 1.00 1.00 ATOM 204 CA GLY 211 30.560 95.371 60.322 1.00 1.00 ATOM 206 CA VAL 212 27.328 91.995 65.670 1.00 1.00 ATOM 207 CA TRP 213 29.712 93.764 68.064 1.00 1.00 ATOM 208 CA ASP 214 28.985 96.204 70.833 1.00 1.00 ATOM 209 CA GLY 215 30.301 99.798 70.628 1.00 1.00 ATOM 210 CA LEU 216 30.796 99.921 66.836 1.00 1.00 ATOM 211 CA THR 217 29.042 98.578 63.716 1.00 1.00 ATOM 212 CA GLN 218 28.738 99.650 60.056 1.00 1.00 ATOM 213 CA GLN 219 25.507 101.598 60.628 1.00 1.00 ATOM 214 CA ASP 220 26.896 104.098 63.188 1.00 1.00 ATOM 215 CA LEU 221 30.173 104.365 61.264 1.00 1.00 ATOM 216 CA GLN 222 28.272 105.531 58.168 1.00 1.00 ATOM 217 CA MET 223 26.217 107.869 60.291 1.00 1.00 ATOM 218 CA TYR 224 29.376 109.414 61.788 1.00 1.00 ATOM 219 CA GLU 225 30.882 110.125 58.377 1.00 1.00 ATOM 220 CA GLU 226 27.567 111.614 57.188 1.00 1.00 ATOM 221 CA ALA 227 27.714 114.088 60.113 1.00 1.00 ATOM 222 CA TYR 228 31.454 114.776 59.686 1.00 1.00 ATOM 223 CA LEU 229 31.739 115.503 55.955 1.00 1.00 ATOM 224 CA SER 230 29.740 118.220 54.158 1.00 1.00 ATOM 225 CA ASN 231 30.525 116.594 50.789 1.00 1.00 ATOM 226 CA ASP 232 31.079 112.892 49.933 1.00 1.00 ATOM 227 CA ALA 233 34.327 113.610 48.066 1.00 1.00 ATOM 228 CA ASP 234 35.756 115.146 51.258 1.00 1.00 ATOM 229 CA ARG 235 36.248 111.523 52.321 1.00 1.00 ATOM 230 CA GLU 236 39.252 111.312 50.008 1.00 1.00 ATOM 231 CA SER 237 40.948 114.337 51.514 1.00 1.00 ATOM 232 CA PRO 238 44.389 113.307 52.875 1.00 1.00 ATOM 233 CA TYR 239 43.578 115.044 56.170 1.00 1.00 ATOM 234 CA TYR 240 40.608 112.709 56.512 1.00 1.00 ATOM 235 CA CYS 241 41.627 109.387 54.904 1.00 1.00 ATOM 236 CA LEU 242 45.151 109.874 56.253 1.00 1.00 ATOM 237 CA PHE 243 46.156 106.476 54.944 1.00 1.00 ATOM 238 CA ASN 244 46.540 108.170 51.511 1.00 1.00 ATOM 239 CA ASN 245 48.684 111.088 52.614 1.00 1.00 ATOM 240 CA ASP 246 52.422 111.385 52.015 1.00 1.00 ATOM 241 CA THR 248 53.960 109.673 55.068 1.00 1.00 ATOM 242 CA ARG 249 57.618 110.693 54.709 1.00 1.00 ATOM 243 CA GLU 250 59.170 112.256 57.786 1.00 1.00 ATOM 244 CA VAL 251 56.107 111.759 59.952 1.00 1.00 ATOM 245 CA PRO 252 56.745 111.304 63.678 1.00 1.00 ATOM 246 CA PRO 253 57.590 107.778 65.077 1.00 1.00 ATOM 247 CA CYS 254 54.329 106.016 65.972 1.00 1.00 ATOM 248 CA PHE 255 52.852 103.745 68.580 1.00 1.00 ATOM 249 CA ILE 256 49.700 102.182 67.200 1.00 1.00 ATOM 250 CA ALA 257 47.375 100.288 69.513 1.00 1.00 ATOM 251 CA GLY 258 44.599 98.254 67.952 1.00 1.00 ATOM 252 CA ALA 259 41.718 96.131 69.254 1.00 1.00 ATOM 253 CA GLU 260 41.284 92.565 67.998 1.00 1.00 ATOM 254 CA PHE 261 37.461 92.651 67.698 1.00 1.00 ATOM 255 CA ASP 262 37.046 95.956 65.841 1.00 1.00 ATOM 256 CA PRO 263 36.023 96.819 62.298 1.00 1.00 ATOM 257 CA LEU 264 38.760 99.510 62.233 1.00 1.00 ATOM 258 CA LEU 265 41.495 97.050 63.243 1.00 1.00 ATOM 259 CA ASP 266 43.027 96.146 59.863 1.00 1.00 ATOM 260 CA ASP 267 43.014 99.777 58.785 1.00 1.00 ATOM 261 CA SER 268 45.128 100.853 61.806 1.00 1.00 ATOM 262 CA ARG 269 47.631 98.070 61.290 1.00 1.00 ATOM 263 CA LEU 270 47.914 98.718 57.565 1.00 1.00 ATOM 264 CA LEU 271 48.589 102.396 58.333 1.00 1.00 ATOM 265 CA TYR 272 51.406 101.241 60.604 1.00 1.00 ATOM 266 CA GLN 273 52.893 99.023 57.907 1.00 1.00 ATOM 267 CA THR 274 52.673 101.884 55.399 1.00 1.00 ATOM 268 CA LEU 275 54.566 104.198 57.795 1.00 1.00 ATOM 269 CA ALA 276 57.318 101.555 58.069 1.00 1.00 ATOM 270 CA ALA 277 57.688 101.358 54.284 1.00 1.00 ATOM 271 CA HIS 278 57.957 105.143 54.163 1.00 1.00 ATOM 272 CA GLN 279 60.848 104.889 56.627 1.00 1.00 ATOM 273 CA GLN 280 58.964 105.994 59.710 1.00 1.00 ATOM 274 CA PRO 281 59.560 103.874 62.819 1.00 1.00 ATOM 275 CA CYS 282 56.385 102.372 64.238 1.00 1.00 ATOM 276 CA GLU 283 55.085 99.781 66.630 1.00 1.00 ATOM 277 CA PHE 284 51.836 97.986 65.932 1.00 1.00 ATOM 278 CA LYS 285 50.375 96.403 68.985 1.00 1.00 ATOM 279 CA LEU 286 47.181 94.386 68.753 1.00 1.00 ATOM 280 CA TYR 287 45.468 93.757 72.099 1.00 1.00 ATOM 281 CA PRO 288 43.604 90.410 71.972 1.00 1.00 ATOM 282 CA GLY 289 40.105 89.799 73.272 1.00 1.00 ATOM 283 CA THR 290 39.054 93.439 73.377 1.00 1.00 ATOM 284 CA LEU 291 36.762 95.695 71.329 1.00 1.00 ATOM 285 CA HIS 292 37.000 99.209 69.977 1.00 1.00 ATOM 286 CA ALA 293 36.988 101.819 72.727 1.00 1.00 ATOM 287 CA PHE 294 38.430 99.464 75.376 1.00 1.00 ATOM 288 CA LEU 295 40.897 101.939 76.953 1.00 1.00 ATOM 289 CA HIS 296 38.191 103.852 78.856 1.00 1.00 ATOM 290 CA TYR 297 37.261 100.668 80.723 1.00 1.00 ATOM 291 CA SER 298 40.618 100.477 82.589 1.00 1.00 ATOM 292 CA ARG 299 38.976 100.270 86.065 1.00 1.00 ATOM 293 CA MET 300 37.705 96.753 85.210 1.00 1.00 ATOM 294 CA MET 301 39.813 95.663 82.220 1.00 1.00 ATOM 295 CA LYS 302 43.536 94.940 82.669 1.00 1.00 ATOM 296 CA THR 303 44.201 95.213 78.892 1.00 1.00 ATOM 297 CA ALA 304 43.124 98.879 79.225 1.00 1.00 ATOM 298 CA ASP 305 45.373 99.537 82.183 1.00 1.00 ATOM 299 CA GLU 306 48.321 98.097 80.227 1.00 1.00 ATOM 300 CA ALA 307 47.444 100.084 77.067 1.00 1.00 ATOM 301 CA LEU 308 47.441 103.260 79.254 1.00 1.00 ATOM 302 CA ARG 309 50.782 102.217 80.849 1.00 1.00 ATOM 303 CA ASP 310 52.242 102.170 77.264 1.00 1.00 ATOM 304 CA GLY 311 51.218 105.794 76.668 1.00 1.00 ATOM 305 CA ALA 312 52.484 106.927 80.084 1.00 1.00 ATOM 306 CA GLN 313 55.796 105.042 79.648 1.00 1.00 ATOM 307 CA PHE 314 56.458 107.169 76.564 1.00 1.00 ATOM 308 CA PHE 315 56.325 110.375 78.618 1.00 1.00 TER END ################################ # # # END # # # ################################