From mailer@bialko.llnl.gov Sat Jun 15 15:36:49 2002 Date: Sat, 15 Jun 2002 15:36:44 -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 Sat Jun 15 15:10:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_219235_10794 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133SS007_1 Current information on models submitted in prediction T0133SS007 MODEL_INDEX PIN CODE DATE E-mail T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 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: 312 # Number of residues with nonzero confidence: 312 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0133 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-8993.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-20961//target-align-20961.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 11.328 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-8993.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc74.27541/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Jun 10 10:50:48 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-20961//target-align-20961.a2m METHOD METHOD guide seq name: seed-seqs-8993.a2m(1), 312 bases, 9CDC389E checksum. METHOD ###end 0 MODEL 1 M C 0.706 N C 0.668 S C 0.616 I C 0.459 K H 0.5 N H 0.555 V H 0.589 P H 0.625 A H 0.655 R H 0.623 V H 0.584 L H 0.455 S C 0.454 R C 0.475 R C 0.581 P C 0.636 G C 0.638 H C 0.492 S E 0.422 L E 0.446 E E 0.435 A E 0.42 E C 0.349 R H 0.424 E C 0.452 Q H 0.545 F H 0.572 D H 0.644 K H 0.69 T H 0.695 Q H 0.689 A H 0.677 I H 0.686 S H 0.672 I H 0.68 S H 0.681 K H 0.681 A H 0.599 I H 0.434 N C 0.565 S H 0.486 Q C 0.461 E C 0.482 A C 0.615 P C 0.7 V C 0.591 K C 0.494 E H 0.528 K H 0.569 H H 0.571 A H 0.571 R H 0.567 R H 0.555 I H 0.503 I H 0.467 L H 0.441 G E 0.408 T C 0.411 H C 0.45 H C 0.455 E C 0.459 K C 0.456 G C 0.507 A H 0.573 F H 0.604 T H 0.609 F H 0.629 W H 0.624 S H 0.625 Y H 0.614 A H 0.608 I H 0.569 G H 0.503 L C 0.48 P C 0.543 L C 0.5 P C 0.551 S C 0.567 S C 0.599 S H 0.445 I H 0.557 L H 0.613 S H 0.626 W H 0.657 K H 0.672 F H 0.668 C H 0.661 H H 0.658 V H 0.654 L H 0.661 H H 0.666 K H 0.66 V H 0.646 L H 0.636 R H 0.612 D H 0.487 G C 0.68 H C 0.767 P H 0.483 N H 0.492 V H 0.564 L H 0.56 H H 0.61 D H 0.608 C H 0.558 Q H 0.546 R H 0.502 Y H 0.505 R H 0.632 S H 0.631 N H 0.639 I H 0.692 R H 0.695 E H 0.694 I H 0.671 G H 0.636 D H 0.596 L H 0.528 W H 0.435 G C 0.519 H C 0.556 L C 0.558 R C 0.592 D C 0.547 Q C 0.499 Y H 0.61 G H 0.621 H H 0.662 L H 0.677 V H 0.709 N H 0.728 I H 0.747 Y H 0.749 T H 0.748 K H 0.757 L H 0.749 L H 0.744 L H 0.727 T H 0.713 K H 0.69 I H 0.628 S H 0.561 F H 0.526 H H 0.457 L C 0.399 K C 0.449 H C 0.588 P C 0.604 Q C 0.582 F C 0.596 P C 0.677 A C 0.652 G C 0.599 L C 0.49 E C 0.467 V C 0.437 T C 0.505 D H 0.575 E H 0.573 V H 0.57 L H 0.519 E H 0.472 K H 0.497 A H 0.452 A C 0.49 G C 0.574 T C 0.629 D C 0.675 V H 0.481 N H 0.504 N H 0.553 I H 0.546 F H 0.596 Q H 0.614 L H 0.619 T H 0.632 V H 0.641 E H 0.635 M H 0.698 F H 0.724 D H 0.71 Y H 0.719 M H 0.72 D H 0.702 C H 0.704 E H 0.748 L H 0.766 K H 0.771 L H 0.768 S H 0.77 E H 0.784 S H 0.767 V H 0.756 F H 0.744 R H 0.734 Q H 0.715 L H 0.665 N H 0.491 T C 0.438 A C 0.491 I C 0.469 A C 0.435 V C 0.429 S C 0.435 Q C 0.428 M C 0.529 S C 0.574 S C 0.602 G C 0.628 Q C 0.406 C E 0.506 R E 0.512 L E 0.448 A H 0.472 P H 0.575 L H 0.607 I H 0.611 Q H 0.619 V H 0.622 I H 0.626 Q H 0.63 D H 0.619 C H 0.621 S H 0.595 H H 0.587 L H 0.594 Y H 0.617 H H 0.628 Y H 0.637 T H 0.636 V H 0.685 K H 0.7 L H 0.705 M H 0.707 F H 0.701 K H 0.688 L H 0.636 H H 0.571 S H 0.498 C C 0.514 L C 0.581 P C 0.608 A H 0.66 D H 0.691 T H 0.704 L H 0.72 Q H 0.707 G H 0.701 H H 0.7 R H 0.734 D H 0.738 R H 0.752 F H 0.738 H H 0.735 E H 0.744 Q H 0.736 F H 0.745 H H 0.739 S H 0.733 L H 0.742 R H 0.743 N H 0.736 F H 0.723 F H 0.696 R H 0.671 R H 0.637 A H 0.574 S H 0.517 D H 0.484 M H 0.517 L H 0.506 Y H 0.478 F H 0.47 K H 0.467 R H 0.426 L E 0.383 I E 0.428 Q C 0.378 I C 0.595 P C 0.696 R C 0.652 L C 0.696 P C 0.739 E C 0.722 G C 0.79 P C 0.782 P C 0.675 N C 0.594 F C 0.461 L C 0.42 R C 0.427 A C 0.432 S C 0.498 A C 0.476 L H 0.451 A H 0.448 E C 0.461 H C 0.521 I C 0.552 K C 0.658 P C 0.621 V C 0.404 V E 0.477 V E 0.467 I C 0.458 P C 0.565 E C 0.606 E C 0.619 A C 0.668 P C 0.682 E C 0.666 E C 0.7 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 08:58:33 2002 Date: Wed, 24 Jul 2002 08:58:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:31:04 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_441365_13647 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS007_4 Current information on models submitted in prediction T0133TS007 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 casp5@bialko.llnl.gov T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1HF8_A # Loading PARENT structure: 1hf8 (chain: A) # Number of residues in PARENT structure: 263 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue T 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue S 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 250 # Total number of atoms in model: 250 # Number of atoms with 1.0 occupancy: 250 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 250 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1HF8_A ATOM 19 CA ASP 28 47.212 57.533 56.916 1.00 1.00 ATOM 20 CA LYS 29 46.479 61.174 56.254 1.00 1.00 ATOM 21 CA THR 30 47.446 60.160 52.638 1.00 1.00 ATOM 22 CA GLN 31 45.010 57.223 52.918 1.00 1.00 ATOM 23 CA ALA 32 42.269 59.284 54.493 1.00 1.00 ATOM 24 CA ILE 33 42.622 62.092 51.968 1.00 1.00 ATOM 25 CA SER 34 42.361 59.570 49.076 1.00 1.00 ATOM 26 CA ILE 35 39.161 58.088 50.553 1.00 1.00 ATOM 27 CA SER 36 37.676 61.665 50.540 1.00 1.00 ATOM 28 CA LYS 37 38.673 62.149 46.943 1.00 1.00 ATOM 29 CA ALA 38 36.997 58.884 45.939 1.00 1.00 ATOM 30 CA ILE 39 33.863 60.000 47.663 1.00 1.00 ATOM 31 CA ASN 40 33.291 63.508 46.628 1.00 1.00 ATOM 32 CA SER 41 29.908 65.003 45.938 1.00 1.00 ATOM 33 CA GLN 42 30.439 64.761 42.232 1.00 1.00 ATOM 34 CA GLU 43 27.905 62.600 40.261 1.00 1.00 ATOM 35 CA ALA 44 30.048 59.926 38.853 1.00 1.00 ATOM 36 CA PRO 45 31.704 56.811 40.236 1.00 1.00 ATOM 37 CA VAL 46 35.002 57.099 42.096 1.00 1.00 ATOM 38 CA LYS 47 37.854 57.936 39.727 1.00 1.00 ATOM 39 CA GLU 48 40.219 55.209 38.585 1.00 1.00 ATOM 40 CA LYS 49 43.309 57.199 39.871 1.00 1.00 ATOM 41 CA HIS 50 42.024 57.229 43.462 1.00 1.00 ATOM 42 CA ALA 51 40.964 53.532 43.226 1.00 1.00 ATOM 43 CA ARG 52 44.261 52.365 41.992 1.00 1.00 ATOM 44 CA ARG 53 46.090 54.096 44.921 1.00 1.00 ATOM 45 CA ILE 54 43.635 52.504 47.349 1.00 1.00 ATOM 46 CA ILE 55 44.252 49.078 45.852 1.00 1.00 ATOM 47 CA LEU 56 48.039 49.663 46.300 1.00 1.00 ATOM 48 CA GLY 57 47.318 50.563 49.864 1.00 1.00 ATOM 49 CA THR 58 45.785 47.180 50.514 1.00 1.00 ATOM 50 CA HIS 59 48.840 45.476 49.094 1.00 1.00 ATOM 51 CA HIS 60 51.341 47.170 51.506 1.00 1.00 ATOM 52 CA GLU 61 52.234 45.214 54.627 1.00 1.00 ATOM 53 CA LYS 62 52.547 48.375 56.583 1.00 1.00 ATOM 55 CA GLY 63 46.744 49.733 58.655 1.00 1.00 ATOM 56 CA ALA 64 43.706 48.072 57.155 1.00 1.00 ATOM 57 CA PHE 65 41.282 48.951 59.960 1.00 1.00 ATOM 58 CA THR 66 41.898 52.641 59.640 1.00 1.00 ATOM 59 CA PHE 67 41.352 52.477 55.845 1.00 1.00 ATOM 60 CA TRP 68 38.027 50.733 56.532 1.00 1.00 ATOM 61 CA SER 69 36.925 53.136 59.218 1.00 1.00 ATOM 62 CA TYR 70 37.364 56.002 56.880 1.00 1.00 ATOM 63 CA ALA 71 35.028 54.326 54.377 1.00 1.00 ATOM 64 CA ILE 72 32.443 53.662 57.171 1.00 1.00 ATOM 65 CA GLY 73 32.616 57.299 58.221 1.00 1.00 ATOM 66 CA LEU 74 31.834 58.437 54.742 1.00 1.00 ATOM 67 CA PRO 75 28.643 56.372 54.889 1.00 1.00 ATOM 68 CA LEU 76 27.293 58.560 57.748 1.00 1.00 ATOM 69 CA PRO 77 27.106 61.507 55.360 1.00 1.00 ATOM 70 CA SER 78 23.646 62.779 54.651 1.00 1.00 ATOM 71 CA SER 79 24.164 62.947 50.894 1.00 1.00 ATOM 72 CA SER 80 23.256 59.972 48.675 1.00 1.00 ATOM 73 CA ILE 81 26.192 60.662 46.331 1.00 1.00 ATOM 74 CA LEU 82 28.785 60.445 49.055 1.00 1.00 ATOM 75 CA SER 83 27.284 57.377 50.626 1.00 1.00 ATOM 76 CA TRP 84 26.831 55.444 47.320 1.00 1.00 ATOM 77 CA LYS 85 30.438 56.258 46.270 1.00 1.00 ATOM 78 CA PHE 86 31.767 54.958 49.564 1.00 1.00 ATOM 79 CA CYS 87 29.900 51.733 48.992 1.00 1.00 ATOM 80 CA HIS 88 31.165 51.433 45.445 1.00 1.00 ATOM 81 CA VAL 89 34.772 52.054 46.650 1.00 1.00 ATOM 82 CA LEU 90 34.404 49.311 49.234 1.00 1.00 ATOM 83 CA HIS 91 33.036 46.908 46.600 1.00 1.00 ATOM 84 CA LYS 92 35.892 47.663 44.194 1.00 1.00 ATOM 85 CA VAL 93 38.479 47.015 47.003 1.00 1.00 ATOM 86 CA LEU 94 36.757 43.715 47.860 1.00 1.00 ATOM 87 CA ARG 95 37.104 42.632 44.226 1.00 1.00 ATOM 88 CA ASP 96 40.537 44.038 43.215 1.00 1.00 ATOM 89 CA GLY 97 42.290 44.612 46.584 1.00 1.00 ATOM 90 CA HIS 98 44.473 42.272 48.536 1.00 1.00 ATOM 91 CA PRO 99 42.507 39.588 50.295 1.00 1.00 ATOM 92 CA ASN 100 43.459 41.032 53.646 1.00 1.00 ATOM 93 CA VAL 101 40.841 43.743 53.041 1.00 1.00 ATOM 94 CA LEU 102 37.873 41.450 52.784 1.00 1.00 ATOM 95 CA HIS 103 39.272 39.281 55.641 1.00 1.00 ATOM 96 CA CYS 105 39.162 42.278 57.956 1.00 1.00 ATOM 97 CA GLN 106 35.685 43.244 56.887 1.00 1.00 ATOM 98 CA ARG 107 34.555 39.745 57.505 1.00 1.00 ATOM 99 CA TYR 108 36.017 39.839 61.070 1.00 1.00 ATOM 100 CA ARG 109 33.953 42.751 62.514 1.00 1.00 ATOM 101 CA SER 110 30.562 42.186 63.980 1.00 1.00 ATOM 102 CA ASN 111 28.829 45.113 62.411 1.00 1.00 ATOM 103 CA ILE 112 29.317 46.298 58.853 1.00 1.00 ATOM 104 CA ARG 113 26.994 48.687 57.021 1.00 1.00 ATOM 105 CA GLU 114 23.909 49.869 58.677 1.00 1.00 ATOM 106 CA ILE 115 22.051 51.755 56.108 1.00 1.00 ATOM 107 CA GLY 116 18.655 49.955 56.230 1.00 1.00 ATOM 108 CA ASP 117 16.885 53.213 57.008 1.00 1.00 ATOM 109 CA LEU 118 18.927 55.559 54.745 1.00 1.00 ATOM 110 CA TRP 119 16.933 58.346 53.025 1.00 1.00 ATOM 111 CA GLY 120 18.268 61.481 51.343 1.00 1.00 ATOM 112 CA HIS 121 15.182 63.744 50.839 1.00 1.00 ATOM 113 CA LEU 122 16.975 66.665 49.376 1.00 1.00 ATOM 114 CA ARG 123 15.773 66.105 45.860 1.00 1.00 ATOM 118 CA ASP 124 14.713 59.784 47.083 1.00 1.00 ATOM 119 CA GLN 125 14.994 57.415 44.170 1.00 1.00 ATOM 120 CA TYR 126 18.780 56.485 44.824 1.00 1.00 ATOM 121 CA GLY 127 18.118 55.877 48.549 1.00 1.00 ATOM 122 CA HIS 128 16.419 52.671 47.778 1.00 1.00 ATOM 123 CA LEU 129 19.408 51.291 45.786 1.00 1.00 ATOM 124 CA VAL 130 21.729 52.320 48.603 1.00 1.00 ATOM 125 CA ASN 131 19.831 50.176 51.000 1.00 1.00 ATOM 126 CA ILE 132 19.793 47.188 48.779 1.00 1.00 ATOM 127 CA TYR 133 23.476 47.531 47.686 1.00 1.00 ATOM 128 CA THR 134 24.743 47.842 51.296 1.00 1.00 ATOM 129 CA LYS 135 22.853 44.654 52.209 1.00 1.00 ATOM 130 CA LEU 136 24.626 42.834 49.354 1.00 1.00 ATOM 131 CA LEU 137 28.009 44.080 50.520 1.00 1.00 ATOM 132 CA LEU 138 27.211 42.855 54.095 1.00 1.00 ATOM 133 CA THR 139 26.273 39.475 52.789 1.00 1.00 ATOM 134 CA LYS 140 29.473 39.293 50.723 1.00 1.00 ATOM 135 CA ILE 141 31.548 39.754 53.891 1.00 1.00 ATOM 136 CA SER 142 29.460 37.198 55.930 1.00 1.00 ATOM 137 CA PHE 143 29.850 34.651 53.261 1.00 1.00 ATOM 138 CA HIS 144 33.619 35.076 53.441 1.00 1.00 ATOM 139 CA LEU 145 33.468 34.705 57.185 1.00 1.00 ATOM 140 CA LYS 146 31.465 31.503 56.969 1.00 1.00 ATOM 141 CA HIS 147 33.567 29.579 54.425 1.00 1.00 ATOM 142 CA PRO 148 36.963 31.258 54.549 1.00 1.00 ATOM 143 CA LEU 154 37.289 31.919 50.828 1.00 1.00 ATOM 144 CA GLU 155 35.746 34.208 48.178 1.00 1.00 ATOM 145 CA LYS 163 33.375 32.388 45.828 1.00 1.00 ATOM 146 CA ALA 164 34.153 34.876 43.057 1.00 1.00 ATOM 147 CA ALA 165 37.879 34.224 43.146 1.00 1.00 ATOM 148 CA GLY 166 38.646 30.500 43.472 1.00 1.00 ATOM 149 CA THR 167 39.895 28.063 40.755 1.00 1.00 ATOM 150 CA ASP 168 37.202 26.986 38.415 1.00 1.00 ATOM 151 CA VAL 169 36.934 23.931 36.208 1.00 1.00 ATOM 152 CA ASN 170 37.475 20.312 37.307 1.00 1.00 ATOM 153 CA ASN 171 40.603 20.924 39.324 1.00 1.00 ATOM 154 CA ILE 172 38.751 23.481 41.502 1.00 1.00 ATOM 155 CA PHE 173 37.353 23.661 44.990 1.00 1.00 ATOM 156 CA GLN 174 33.823 23.911 43.952 1.00 1.00 ATOM 157 CA LEU 175 34.263 20.936 41.626 1.00 1.00 ATOM 158 CA THR 176 36.323 18.809 44.024 1.00 1.00 ATOM 159 CA VAL 177 34.859 19.242 47.477 1.00 1.00 ATOM 160 CA GLU 178 33.600 16.360 49.566 1.00 1.00 ATOM 161 CA MET 179 29.950 15.685 49.909 1.00 1.00 ATOM 162 CA PHE 180 29.662 17.040 53.455 1.00 1.00 ATOM 163 CA ASP 181 31.205 20.509 52.902 1.00 1.00 ATOM 164 CA TYR 182 29.228 20.865 49.577 1.00 1.00 ATOM 165 CA MET 183 25.962 20.415 51.254 1.00 1.00 ATOM 166 CA ASP 184 27.071 23.079 53.612 1.00 1.00 ATOM 167 CA CYS 185 28.335 25.617 51.131 1.00 1.00 ATOM 168 CA GLU 186 25.944 25.707 48.175 1.00 1.00 ATOM 169 CA LEU 187 23.326 27.205 50.493 1.00 1.00 ATOM 170 CA LYS 188 25.759 30.076 51.320 1.00 1.00 ATOM 171 CA LEU 189 26.265 30.827 47.597 1.00 1.00 ATOM 172 CA SER 190 22.525 30.807 47.230 1.00 1.00 ATOM 173 CA GLU 191 22.099 33.304 49.903 1.00 1.00 ATOM 174 CA SER 192 24.749 35.664 48.568 1.00 1.00 ATOM 175 CA VAL 193 23.087 35.332 45.154 1.00 1.00 ATOM 176 CA PHE 194 19.675 36.367 46.484 1.00 1.00 ATOM 177 CA ARG 195 21.020 39.461 48.114 1.00 1.00 ATOM 178 CA GLN 196 22.802 40.326 44.850 1.00 1.00 ATOM 179 CA LEU 197 19.525 39.819 42.850 1.00 1.00 ATOM 180 CA ASN 198 17.477 41.937 45.280 1.00 1.00 ATOM 181 CA ALA 200 19.217 45.003 43.920 1.00 1.00 ATOM 182 CA ILE 201 16.345 44.620 41.423 1.00 1.00 ATOM 183 CA ALA 202 17.080 47.462 39.064 1.00 1.00 ATOM 184 CA VAL 203 15.404 48.071 35.629 1.00 1.00 ATOM 185 CA SER 204 17.191 49.512 32.628 1.00 1.00 ATOM 186 CA GLN 205 15.192 52.673 32.773 1.00 1.00 ATOM 187 CA MET 206 16.473 53.327 36.326 1.00 1.00 ATOM 188 CA SER 207 20.174 53.266 35.309 1.00 1.00 ATOM 189 CA SER 208 20.405 56.918 34.707 1.00 1.00 ATOM 190 CA GLY 209 23.469 58.399 36.247 1.00 1.00 ATOM 191 CA GLN 210 27.120 57.443 36.520 1.00 1.00 ATOM 192 CA CYS 211 26.975 56.494 40.182 1.00 1.00 ATOM 193 CA ARG 212 24.340 53.801 39.992 1.00 1.00 ATOM 194 CA LEU 213 25.808 52.598 36.643 1.00 1.00 ATOM 195 CA ALA 214 29.250 52.089 38.306 1.00 1.00 ATOM 196 CA PRO 215 27.572 50.001 41.037 1.00 1.00 ATOM 197 CA LEU 216 25.740 47.958 38.433 1.00 1.00 ATOM 198 CA ILE 217 28.922 47.184 36.440 1.00 1.00 ATOM 199 CA GLN 218 30.513 45.726 39.560 1.00 1.00 ATOM 200 CA VAL 219 27.372 43.847 40.517 1.00 1.00 ATOM 201 CA ILE 220 27.439 42.319 36.937 1.00 1.00 ATOM 202 CA GLN 221 30.983 41.044 37.460 1.00 1.00 ATOM 203 CA ASP 222 30.173 39.476 40.800 1.00 1.00 ATOM 204 CA CYS 223 26.910 37.926 39.382 1.00 1.00 ATOM 205 CA SER 224 28.673 36.093 36.545 1.00 1.00 ATOM 206 CA HIS 225 31.395 34.688 38.772 1.00 1.00 ATOM 207 CA LEU 226 29.027 33.752 41.547 1.00 1.00 ATOM 208 CA TYR 227 26.870 31.926 39.009 1.00 1.00 ATOM 209 CA HIS 228 29.843 30.016 37.693 1.00 1.00 ATOM 210 CA TYR 229 30.634 28.854 41.180 1.00 1.00 ATOM 211 CA THR 230 27.033 27.979 41.967 1.00 1.00 ATOM 219 CA VAL 231 24.438 15.717 40.538 1.00 1.00 ATOM 220 CA LYS 232 27.645 13.704 40.248 1.00 1.00 ATOM 221 CA LEU 233 27.408 12.323 43.843 1.00 1.00 ATOM 222 CA MET 234 23.611 12.360 44.363 1.00 1.00 ATOM 223 CA PHE 235 23.045 8.650 43.627 1.00 1.00 ATOM 224 CA LYS 236 25.950 7.309 45.821 1.00 1.00 ATOM 225 CA LEU 237 24.738 9.276 48.940 1.00 1.00 ATOM 226 CA HIS 238 22.670 8.777 52.136 1.00 1.00 ATOM 227 CA SER 239 18.929 9.065 52.171 1.00 1.00 ATOM 228 CA CYS 240 18.684 12.249 54.235 1.00 1.00 ATOM 229 CA LEU 241 21.559 13.854 52.347 1.00 1.00 ATOM 230 CA PRO 242 19.809 13.060 49.039 1.00 1.00 ATOM 231 CA ALA 243 17.001 14.897 50.695 1.00 1.00 ATOM 232 CA ASP 244 18.969 18.071 51.313 1.00 1.00 ATOM 233 CA THR 245 20.560 17.754 47.882 1.00 1.00 ATOM 234 CA LEU 246 17.076 17.657 46.355 1.00 1.00 ATOM 235 CA GLN 247 16.227 20.872 48.087 1.00 1.00 ATOM 236 CA GLY 248 19.311 22.748 46.699 1.00 1.00 ATOM 237 CA HIS 249 18.790 21.668 43.066 1.00 1.00 ATOM 238 CA ARG 250 15.237 22.593 43.745 1.00 1.00 ATOM 239 CA ARG 252 16.129 26.124 44.833 1.00 1.00 ATOM 240 CA PHE 253 18.862 26.497 42.168 1.00 1.00 ATOM 241 CA HIS 254 16.273 26.154 39.396 1.00 1.00 ATOM 242 CA GLU 255 14.138 29.048 40.613 1.00 1.00 ATOM 243 CA GLN 256 17.378 31.143 40.976 1.00 1.00 ATOM 244 CA PHE 257 18.262 30.328 37.335 1.00 1.00 ATOM 245 CA HIS 258 15.199 32.141 36.297 1.00 1.00 ATOM 246 CA SER 259 15.887 35.203 38.348 1.00 1.00 ATOM 247 CA LEU 260 19.426 35.242 36.954 1.00 1.00 ATOM 248 CA ARG 261 18.097 35.217 33.441 1.00 1.00 ATOM 249 CA ASN 262 16.013 38.263 34.232 1.00 1.00 ATOM 250 CA PHE 263 19.088 40.067 35.584 1.00 1.00 ATOM 251 CA PHE 264 21.247 39.289 32.455 1.00 1.00 ATOM 252 CA ARG 265 18.478 40.555 30.357 1.00 1.00 ATOM 253 CA ARG 266 18.739 43.948 32.051 1.00 1.00 ATOM 254 CA ALA 267 22.382 43.767 31.127 1.00 1.00 ATOM 255 CA SER 268 21.552 42.994 27.596 1.00 1.00 ATOM 256 CA ASP 269 19.116 45.976 27.448 1.00 1.00 ATOM 257 CA MET 270 21.753 48.384 28.802 1.00 1.00 ATOM 258 CA LEU 271 24.239 47.444 26.055 1.00 1.00 ATOM 259 CA TYR 272 26.793 45.127 27.699 1.00 1.00 ATOM 260 CA PHE 273 28.983 43.350 25.174 1.00 1.00 ATOM 261 CA LYS 274 27.082 40.108 24.465 1.00 1.00 ATOM 262 CA ARG 275 30.360 38.207 24.483 1.00 1.00 ATOM 263 CA GLN 278 30.663 38.963 28.263 1.00 1.00 ATOM 264 CA ILE 279 27.214 37.654 29.085 1.00 1.00 ATOM 265 CA PRO 280 27.319 33.970 29.855 1.00 1.00 ATOM 266 CA ARG 281 25.216 31.356 28.229 1.00 1.00 ATOM 267 CA LEU 282 22.812 29.615 30.437 1.00 1.00 ATOM 268 CA PRO 283 21.853 26.414 28.515 1.00 1.00 ATOM 269 CA GLU 284 23.101 24.092 31.212 1.00 1.00 ATOM 270 CA GLY 285 21.989 21.432 33.875 1.00 1.00 ATOM 271 CA PRO 286 18.153 21.885 34.541 1.00 1.00 ATOM 272 CA PRO 287 16.568 18.872 32.897 1.00 1.00 ATOM 273 CA ASN 288 17.069 16.052 35.564 1.00 1.00 ATOM 274 CA PHE 289 14.382 16.911 38.169 1.00 1.00 ATOM 275 CA LEU 290 13.586 13.149 37.999 1.00 1.00 ATOM 276 CA ARG 291 15.707 12.169 41.006 1.00 1.00 ATOM 277 CA ALA 292 12.757 13.484 43.052 1.00 1.00 ATOM 278 CA SER 293 11.936 9.791 42.743 1.00 1.00 ATOM 279 CA ALA 294 15.278 8.257 43.476 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 08:59:08 2002 Date: Wed, 24 Jul 2002 08:59:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:31:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_444199_13649 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS007_5 Current information on models submitted in prediction T0133TS007 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1HX8_A # Loading PARENT structure: 1hx8 (chain: A) # Number of residues in PARENT structure: 270 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 C 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue T 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue S 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 246 # Total number of atoms in model: 246 # Number of atoms with 1.0 occupancy: 246 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 246 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1HX8_A ATOM 22 CA LYS 29 -11.671 36.043 18.650 1.00 1.00 ATOM 23 CA THR 30 -10.187 33.738 21.261 1.00 1.00 ATOM 24 CA GLN 31 -7.062 33.962 19.130 1.00 1.00 ATOM 25 CA ALA 32 -5.502 37.107 20.563 1.00 1.00 ATOM 26 CA ILE 33 -5.866 35.962 24.170 1.00 1.00 ATOM 27 CA SER 34 -4.573 32.510 23.251 1.00 1.00 ATOM 28 CA ILE 35 -1.559 33.882 21.394 1.00 1.00 ATOM 29 CA SER 36 -0.722 35.957 24.480 1.00 1.00 ATOM 30 CA LYS 37 -1.085 33.022 26.867 1.00 1.00 ATOM 31 CA ALA 38 1.455 31.077 24.769 1.00 1.00 ATOM 32 CA ILE 39 3.839 34.041 24.576 1.00 1.00 ATOM 33 CA ASN 40 3.962 35.298 28.192 1.00 1.00 ATOM 34 CA SER 41 7.118 36.796 29.746 1.00 1.00 ATOM 35 CA GLN 42 7.369 33.825 32.105 1.00 1.00 ATOM 36 CA GLU 43 10.666 32.174 31.273 1.00 1.00 ATOM 37 CA ALA 44 9.506 28.693 30.305 1.00 1.00 ATOM 38 CA PRO 45 8.312 27.237 27.027 1.00 1.00 ATOM 39 CA VAL 46 4.745 27.768 25.762 1.00 1.00 ATOM 40 CA LYS 47 2.338 25.440 27.584 1.00 1.00 ATOM 41 CA GLU 48 0.934 22.381 25.815 1.00 1.00 ATOM 42 CA LYS 49 -2.659 23.470 26.393 1.00 1.00 ATOM 43 CA HIS 50 -2.289 26.768 24.568 1.00 1.00 ATOM 44 CA ALA 51 -0.237 25.244 21.767 1.00 1.00 ATOM 45 CA ARG 52 -2.966 22.611 21.304 1.00 1.00 ATOM 46 CA ARG 53 -5.719 25.267 21.184 1.00 1.00 ATOM 47 CA ILE 54 -3.888 27.281 18.570 1.00 1.00 ATOM 48 CA ILE 55 -3.368 24.139 16.488 1.00 1.00 ATOM 49 CA LEU 56 -7.117 23.445 16.703 1.00 1.00 ATOM 50 CA GLY 57 -7.839 26.993 15.508 1.00 1.00 ATOM 51 CA THR 58 -5.228 26.767 12.776 1.00 1.00 ATOM 52 CA HIS 59 -6.916 23.730 11.233 1.00 1.00 ATOM 53 CA HIS 60 -10.409 25.256 11.306 1.00 1.00 ATOM 54 CA GLU 61 -11.470 26.466 7.772 1.00 1.00 ATOM 55 CA LYS 62 -13.432 29.409 9.260 1.00 1.00 ATOM 57 CA GLY 63 -8.267 33.625 9.522 1.00 1.00 ATOM 58 CA ALA 64 -4.782 32.280 9.125 1.00 1.00 ATOM 59 CA PHE 65 -3.489 35.745 8.202 1.00 1.00 ATOM 60 CA THR 66 -4.923 37.151 11.399 1.00 1.00 ATOM 61 CA PHE 67 -3.324 34.370 13.505 1.00 1.00 ATOM 62 CA TRP 68 0.010 34.889 11.776 1.00 1.00 ATOM 63 CA SER 69 -0.111 38.639 12.304 1.00 1.00 ATOM 64 CA TYR 70 -0.793 38.108 16.007 1.00 1.00 ATOM 65 CA ALA 71 2.310 35.944 16.286 1.00 1.00 ATOM 66 CA ILE 72 4.362 38.322 14.118 1.00 1.00 ATOM 67 CA GLY 73 3.188 41.191 16.366 1.00 1.00 ATOM 68 CA LEU 74 4.540 39.331 19.439 1.00 1.00 ATOM 69 CA PRO 75 7.796 38.581 17.638 1.00 1.00 ATOM 70 CA LEU 76 8.273 42.385 17.519 1.00 1.00 ATOM 71 CA PRO 77 8.278 42.597 21.332 1.00 1.00 ATOM 72 CA SER 78 11.349 43.975 23.123 1.00 1.00 ATOM 73 CA SER 79 11.465 41.123 25.638 1.00 1.00 ATOM 74 CA SER 80 13.530 38.163 24.335 1.00 1.00 ATOM 75 CA ILE 81 11.318 35.691 26.229 1.00 1.00 ATOM 76 CA LEU 82 8.200 36.874 24.442 1.00 1.00 ATOM 77 CA SER 83 9.993 36.852 21.085 1.00 1.00 ATOM 78 CA TRP 84 11.543 33.395 21.420 1.00 1.00 ATOM 79 CA LYS 85 8.266 31.899 22.628 1.00 1.00 ATOM 80 CA PHE 86 6.475 33.487 19.655 1.00 1.00 ATOM 81 CA CYS 87 9.022 31.794 17.415 1.00 1.00 ATOM 82 CA HIS 88 8.516 28.462 19.236 1.00 1.00 ATOM 83 CA VAL 89 4.717 28.782 18.863 1.00 1.00 ATOM 84 CA LEU 90 5.082 29.421 15.142 1.00 1.00 ATOM 85 CA HIS 91 7.436 26.418 14.767 1.00 1.00 ATOM 86 CA LYS 92 4.906 24.287 16.662 1.00 1.00 ATOM 87 CA VAL 93 2.037 25.410 14.384 1.00 1.00 ATOM 88 CA LEU 94 4.198 24.817 11.307 1.00 1.00 ATOM 89 CA ARG 95 5.035 21.271 12.328 1.00 1.00 ATOM 90 CA ASP 96 1.860 20.136 14.050 1.00 1.00 ATOM 91 CA GLY 97 -1.113 21.957 12.514 1.00 1.00 ATOM 92 CA HIS 98 -2.368 21.212 8.989 1.00 1.00 ATOM 93 CA PRO 99 -0.731 23.098 6.119 1.00 1.00 ATOM 94 CA ASN 100 -3.067 26.135 6.244 1.00 1.00 ATOM 95 CA VAL 101 -0.779 28.063 8.573 1.00 1.00 ATOM 96 CA LEU 102 2.352 26.983 6.760 1.00 1.00 ATOM 97 CA HIS 103 0.941 27.653 3.278 1.00 1.00 ATOM 98 CA ASP 104 0.216 31.249 4.262 1.00 1.00 ATOM 99 CA CYS 105 3.671 32.082 5.602 1.00 1.00 ATOM 100 CA GLN 106 5.223 30.616 2.485 1.00 1.00 ATOM 101 CA ARG 107 2.864 32.169 -0.066 1.00 1.00 ATOM 102 CA TYR 108 1.978 35.583 1.293 1.00 1.00 ATOM 103 CA ARG 109 5.691 35.548 2.150 1.00 1.00 ATOM 104 CA SER 110 5.033 36.547 5.792 1.00 1.00 ATOM 105 CA ASN 111 8.485 36.269 7.379 1.00 1.00 ATOM 106 CA ILE 112 9.961 37.306 10.735 1.00 1.00 ATOM 107 CA ARG 113 12.212 40.368 10.720 1.00 1.00 ATOM 108 CA GLU 114 14.618 39.618 13.549 1.00 1.00 ATOM 109 CA ILE 115 17.855 39.796 11.659 1.00 1.00 ATOM 110 CA GLY 116 18.835 42.723 13.965 1.00 1.00 ATOM 111 CA ASP 117 17.103 41.549 17.148 1.00 1.00 ATOM 112 CA LEU 118 19.119 42.371 20.237 1.00 1.00 ATOM 113 CA TRP 119 18.015 42.450 23.885 1.00 1.00 ATOM 114 CA GLY 120 20.494 44.045 26.271 1.00 1.00 ATOM 115 CA HIS 121 17.823 45.711 28.403 1.00 1.00 ATOM 129 CA LEU 122 20.166 36.282 29.441 1.00 1.00 ATOM 130 CA ARG 123 18.655 38.565 26.798 1.00 1.00 ATOM 131 CA ASP 124 22.096 39.213 25.355 1.00 1.00 ATOM 132 CA GLN 125 23.167 35.557 25.237 1.00 1.00 ATOM 133 CA TYR 126 19.762 34.485 23.870 1.00 1.00 ATOM 134 CA GLY 127 19.822 37.055 21.078 1.00 1.00 ATOM 135 CA HIS 128 21.961 35.140 18.554 1.00 1.00 ATOM 136 CA LEU 129 19.736 32.098 19.022 1.00 1.00 ATOM 137 CA VAL 130 16.614 34.141 18.461 1.00 1.00 ATOM 138 CA ASN 131 18.170 35.411 15.246 1.00 1.00 ATOM 139 CA ILE 132 19.307 32.020 13.964 1.00 1.00 ATOM 140 CA TYR 133 16.016 30.333 14.920 1.00 1.00 ATOM 141 CA THR 134 13.895 33.004 13.191 1.00 1.00 ATOM 142 CA LYS 135 16.104 32.665 10.181 1.00 1.00 ATOM 143 CA LEU 136 15.589 28.878 10.121 1.00 1.00 ATOM 144 CA LEU 137 11.829 29.356 10.380 1.00 1.00 ATOM 145 CA LEU 138 11.850 31.825 7.466 1.00 1.00 ATOM 146 CA THR 139 13.999 29.321 5.557 1.00 1.00 ATOM 147 CA LYS 140 11.404 26.614 6.305 1.00 1.00 ATOM 148 CA ILE 141 8.785 28.869 4.605 1.00 1.00 ATOM 149 CA SER 142 11.045 29.489 1.613 1.00 1.00 ATOM 150 CA PHE 143 11.600 25.763 1.268 1.00 1.00 ATOM 151 CA HIS 144 7.858 25.056 1.261 1.00 1.00 ATOM 152 CA LEU 145 7.285 27.923 -1.209 1.00 1.00 ATOM 153 CA LYS 146 9.765 26.331 -3.598 1.00 1.00 ATOM 154 CA HIS 147 8.433 22.732 -3.272 1.00 1.00 ATOM 155 CA PRO 148 4.701 23.076 -2.415 1.00 1.00 ATOM 156 CA LEU 154 5.249 20.605 0.415 1.00 1.00 ATOM 157 CA GLU 155 6.971 20.178 3.776 1.00 1.00 ATOM 158 CA GLU 162 10.112 18.040 3.674 1.00 1.00 ATOM 159 CA LYS 163 9.509 17.194 7.361 1.00 1.00 ATOM 160 CA ALA 164 6.337 15.363 6.377 1.00 1.00 ATOM 161 CA ALA 165 7.227 13.342 3.279 1.00 1.00 ATOM 167 CA ASN 171 3.756 12.810 -0.999 1.00 1.00 ATOM 168 CA ILE 172 6.860 13.870 -2.915 1.00 1.00 ATOM 169 CA PHE 173 9.326 11.015 -2.293 1.00 1.00 ATOM 170 CA GLN 174 12.996 11.892 -2.655 1.00 1.00 ATOM 171 CA LEU 175 13.736 8.192 -2.896 1.00 1.00 ATOM 172 CA THR 176 11.582 7.633 -6.010 1.00 1.00 ATOM 173 CA VAL 177 11.738 11.123 -7.541 1.00 1.00 ATOM 174 CA GLU 178 13.238 11.323 -11.060 1.00 1.00 ATOM 175 CA MET 179 16.730 12.595 -11.891 1.00 1.00 ATOM 176 CA PHE 180 15.759 16.061 -13.080 1.00 1.00 ATOM 177 CA ASP 181 13.294 16.643 -10.241 1.00 1.00 ATOM 178 CA TYR 182 15.879 15.327 -7.769 1.00 1.00 ATOM 179 CA MET 183 18.504 17.797 -8.928 1.00 1.00 ATOM 180 CA ASP 184 16.186 20.775 -8.403 1.00 1.00 ATOM 181 CA CYS 185 15.012 19.452 -5.068 1.00 1.00 ATOM 182 CA GLU 186 18.315 18.624 -3.315 1.00 1.00 ATOM 183 CA LEU 187 19.570 22.261 -3.407 1.00 1.00 ATOM 184 CA LYS 188 16.381 23.362 -1.604 1.00 1.00 ATOM 185 CA LEU 189 16.493 20.590 1.038 1.00 1.00 ATOM 186 CA SER 190 20.187 21.339 1.557 1.00 1.00 ATOM 187 CA GLU 191 19.550 25.060 2.105 1.00 1.00 ATOM 188 CA SER 192 16.866 24.307 4.664 1.00 1.00 ATOM 189 CA VAL 193 19.161 21.908 6.482 1.00 1.00 ATOM 190 CA PHE 194 22.020 24.458 6.370 1.00 1.00 ATOM 191 CA ARG 195 19.815 27.109 7.957 1.00 1.00 ATOM 192 CA GLN 196 18.910 24.646 10.743 1.00 1.00 ATOM 193 CA LEU 197 22.546 23.767 11.437 1.00 1.00 ATOM 194 CA ASN 198 23.476 27.467 11.663 1.00 1.00 ATOM 195 CA THR 199 21.708 27.328 15.072 1.00 1.00 ATOM 196 CA ALA 200 25.071 26.006 16.252 1.00 1.00 ATOM 197 CA ILE 201 24.704 25.861 20.021 1.00 1.00 ATOM 198 CA ALA 202 26.904 24.313 22.667 1.00 1.00 ATOM 199 CA VAL 203 25.567 22.331 25.589 1.00 1.00 ATOM 200 CA SER 204 26.274 25.229 27.934 1.00 1.00 ATOM 201 CA MET 206 24.023 27.422 25.784 1.00 1.00 ATOM 202 CA SER 207 20.973 25.217 26.460 1.00 1.00 ATOM 203 CA SER 208 20.302 26.667 29.856 1.00 1.00 ATOM 204 CA GLY 209 16.661 27.561 30.230 1.00 1.00 ATOM 205 CA GLN 210 13.283 26.065 29.343 1.00 1.00 ATOM 206 CA CYS 211 12.776 28.365 26.358 1.00 1.00 ATOM 207 CA ARG 212 15.908 27.644 24.345 1.00 1.00 ATOM 208 CA LEU 213 15.613 23.963 25.373 1.00 1.00 ATOM 209 CA ALA 214 12.176 23.648 23.791 1.00 1.00 ATOM 210 CA PRO 215 13.371 25.311 20.570 1.00 1.00 ATOM 211 CA LEU 216 16.311 22.934 20.385 1.00 1.00 ATOM 212 CA ILE 217 13.931 19.979 20.822 1.00 1.00 ATOM 213 CA GLN 218 11.794 21.271 17.911 1.00 1.00 ATOM 214 CA VAL 219 14.985 21.802 15.819 1.00 1.00 ATOM 215 CA ILE 220 16.107 18.262 16.643 1.00 1.00 ATOM 216 CA GLN 221 12.759 16.798 15.474 1.00 1.00 ATOM 217 CA ASP 222 13.001 18.719 12.143 1.00 1.00 ATOM 218 CA CYS 223 16.624 17.694 11.716 1.00 1.00 ATOM 219 CA SER 224 15.847 13.971 12.072 1.00 1.00 ATOM 220 CA HIS 225 13.163 14.210 9.365 1.00 1.00 ATOM 221 CA LEU 226 15.347 16.413 7.180 1.00 1.00 ATOM 222 CA TYR 227 18.251 14.085 7.649 1.00 1.00 ATOM 223 CA HIS 228 16.129 11.106 6.500 1.00 1.00 ATOM 224 CA TYR 229 14.926 12.953 3.360 1.00 1.00 ATOM 225 CA THR 230 18.415 14.049 2.535 1.00 1.00 ATOM 233 CA VAL 231 23.650 7.697 -6.611 1.00 1.00 ATOM 234 CA LYS 232 21.284 5.168 -8.209 1.00 1.00 ATOM 235 CA LEU 233 20.704 7.466 -11.206 1.00 1.00 ATOM 236 CA MET 234 24.180 9.008 -11.241 1.00 1.00 ATOM 237 CA PHE 235 25.760 6.546 -13.679 1.00 1.00 ATOM 238 CA LYS 236 22.935 7.041 -16.233 1.00 1.00 ATOM 239 CA LEU 237 23.173 10.848 -16.107 1.00 1.00 ATOM 240 CA HIS 238 24.479 12.927 -18.967 1.00 1.00 ATOM 241 CA SER 239 27.502 15.205 -18.619 1.00 1.00 ATOM 242 CA CYS 240 26.324 18.412 -16.922 1.00 1.00 ATOM 243 CA LEU 241 23.920 16.570 -14.611 1.00 1.00 ATOM 244 CA PRO 242 26.729 14.210 -13.657 1.00 1.00 ATOM 245 CA ALA 243 28.828 17.163 -12.520 1.00 1.00 ATOM 246 CA ASP 244 25.884 18.751 -10.651 1.00 1.00 ATOM 247 CA THR 245 25.213 15.489 -8.818 1.00 1.00 ATOM 248 CA LEU 246 28.862 14.975 -7.874 1.00 1.00 ATOM 249 CA GLN 247 29.003 18.413 -6.292 1.00 1.00 ATOM 250 CA GLY 248 25.747 17.849 -4.426 1.00 1.00 ATOM 251 CA HIS 249 27.141 14.554 -3.207 1.00 1.00 ATOM 252 CA ARG 250 30.309 16.171 -1.903 1.00 1.00 ATOM 253 CA ARG 252 28.267 18.855 -0.147 1.00 1.00 ATOM 254 CA PHE 253 26.214 16.076 1.408 1.00 1.00 ATOM 255 CA HIS 254 29.369 14.526 2.868 1.00 1.00 ATOM 256 CA GLU 255 30.386 17.812 4.469 1.00 1.00 ATOM 257 CA GLN 256 26.904 18.113 5.918 1.00 1.00 ATOM 258 CA PHE 257 26.744 14.662 7.471 1.00 1.00 ATOM 259 CA HIS 258 29.746 15.609 9.640 1.00 1.00 ATOM 260 CA SER 259 27.861 18.734 10.725 1.00 1.00 ATOM 261 CA LEU 260 24.761 16.588 11.499 1.00 1.00 ATOM 262 CA ARG 261 27.026 14.266 13.449 1.00 1.00 ATOM 263 CA ASN 262 28.189 17.159 15.610 1.00 1.00 ATOM 264 CA PHE 263 24.614 18.367 16.087 1.00 1.00 ATOM 265 CA PHE 264 23.551 14.866 17.195 1.00 1.00 ATOM 266 CA ARG 265 26.494 14.693 19.581 1.00 1.00 ATOM 267 CA ARG 266 25.252 17.858 21.297 1.00 1.00 ATOM 268 CA ALA 267 21.752 16.409 21.202 1.00 1.00 ATOM 269 CA SER 268 23.053 13.325 22.989 1.00 1.00 ATOM 270 CA ASP 269 24.818 15.309 25.738 1.00 1.00 ATOM 271 CA MET 270 21.797 17.477 26.554 1.00 1.00 ATOM 272 CA LEU 271 19.512 14.583 27.425 1.00 1.00 ATOM 273 CA TYR 272 17.739 13.515 24.238 1.00 1.00 ATOM 274 CA PHE 273 16.896 9.797 24.047 1.00 1.00 ATOM 275 CA LYS 274 19.695 7.906 22.288 1.00 1.00 ATOM 276 CA ARG 275 16.901 5.788 20.862 1.00 1.00 ATOM 277 CA GLN 278 15.764 8.782 18.827 1.00 1.00 ATOM 278 CA ILE 279 19.312 9.534 17.674 1.00 1.00 ATOM 279 CA PRO 280 20.077 8.052 14.228 1.00 1.00 ATOM 280 CA ARG 281 23.226 5.960 13.997 1.00 1.00 ATOM 281 CA LEU 282 25.320 7.584 11.264 1.00 1.00 ATOM 282 CA PRO 283 28.126 5.782 9.498 1.00 1.00 ATOM 283 CA GLU 284 31.128 7.295 7.752 1.00 1.00 ATOM 284 CA GLY 285 30.672 7.138 3.999 1.00 1.00 ATOM 285 CA PRO 286 32.982 4.922 1.847 1.00 1.00 ATOM 286 CA PRO 287 35.708 6.760 -0.096 1.00 1.00 ATOM 287 CA ASN 288 35.965 3.984 -2.681 1.00 1.00 ATOM 288 CA PHE 289 32.493 5.118 -3.702 1.00 1.00 ATOM 289 CA LEU 290 33.516 8.759 -4.072 1.00 1.00 ATOM 290 CA ARG 291 36.506 7.455 -6.031 1.00 1.00 ATOM 291 CA ALA 292 34.126 5.662 -8.383 1.00 1.00 ATOM 292 CA SER 293 31.921 8.705 -8.968 1.00 1.00 ATOM 293 CA ALA 294 34.929 10.787 -9.992 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 08:59:19 2002 Date: Wed, 24 Jul 2002 08:59:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:31:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_445868_13650 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS007_2 Current information on models submitted in prediction T0133TS007 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1HG2_A # Loading PARENT structure: 1hg2 (chain: A) # Number of residues in PARENT structure: 263 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue T 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue S 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 250 # Total number of atoms in model: 250 # Number of atoms with 1.0 occupancy: 250 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 250 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1HG2_A ATOM 19 CA ASP 28 47.096 57.477 57.290 1.00 1.00 ATOM 20 CA LYS 29 46.645 61.116 56.358 1.00 1.00 ATOM 21 CA THR 30 47.569 60.100 52.709 1.00 1.00 ATOM 22 CA GLN 31 45.103 57.179 52.981 1.00 1.00 ATOM 23 CA ALA 32 42.484 59.321 54.682 1.00 1.00 ATOM 24 CA ILE 33 42.736 62.039 52.016 1.00 1.00 ATOM 25 CA SER 34 42.409 59.470 49.195 1.00 1.00 ATOM 26 CA ILE 35 39.273 58.109 50.807 1.00 1.00 ATOM 27 CA SER 36 37.755 61.631 50.740 1.00 1.00 ATOM 28 CA LYS 37 38.683 62.105 47.145 1.00 1.00 ATOM 29 CA ALA 38 37.158 58.798 46.166 1.00 1.00 ATOM 30 CA ILE 39 33.919 59.948 47.851 1.00 1.00 ATOM 31 CA ASN 40 33.261 63.519 46.829 1.00 1.00 ATOM 32 CA SER 41 29.850 64.985 46.087 1.00 1.00 ATOM 33 CA GLN 42 30.543 64.798 42.361 1.00 1.00 ATOM 34 CA GLU 43 27.948 62.621 40.440 1.00 1.00 ATOM 35 CA ALA 44 30.088 59.916 39.026 1.00 1.00 ATOM 36 CA PRO 45 31.665 56.797 40.479 1.00 1.00 ATOM 37 CA VAL 46 35.002 57.038 42.293 1.00 1.00 ATOM 38 CA LYS 47 37.846 57.865 39.936 1.00 1.00 ATOM 39 CA GLU 48 40.230 55.175 38.802 1.00 1.00 ATOM 40 CA LYS 49 43.309 57.085 40.008 1.00 1.00 ATOM 41 CA HIS 50 42.013 57.159 43.601 1.00 1.00 ATOM 42 CA ALA 51 40.857 53.518 43.438 1.00 1.00 ATOM 43 CA ARG 52 44.240 52.261 42.182 1.00 1.00 ATOM 44 CA ARG 53 46.038 54.067 45.089 1.00 1.00 ATOM 45 CA ILE 54 43.654 52.348 47.560 1.00 1.00 ATOM 46 CA ILE 55 44.280 48.953 46.001 1.00 1.00 ATOM 47 CA LEU 56 48.031 49.535 46.492 1.00 1.00 ATOM 48 CA GLY 57 47.299 50.443 50.089 1.00 1.00 ATOM 49 CA THR 58 45.751 47.050 50.713 1.00 1.00 ATOM 50 CA HIS 59 48.807 45.287 49.302 1.00 1.00 ATOM 51 CA HIS 60 51.336 47.014 51.758 1.00 1.00 ATOM 52 CA GLU 61 52.181 45.118 54.913 1.00 1.00 ATOM 53 CA LYS 62 52.575 48.338 56.822 1.00 1.00 ATOM 55 CA GLY 63 46.783 49.621 58.863 1.00 1.00 ATOM 56 CA ALA 64 43.681 48.015 57.359 1.00 1.00 ATOM 57 CA PHE 65 41.192 48.891 60.160 1.00 1.00 ATOM 58 CA THR 66 41.884 52.595 59.906 1.00 1.00 ATOM 59 CA PHE 67 41.317 52.412 56.099 1.00 1.00 ATOM 60 CA TRP 68 37.995 50.582 56.621 1.00 1.00 ATOM 61 CA SER 69 36.940 52.942 59.410 1.00 1.00 ATOM 62 CA TYR 70 37.329 55.929 57.164 1.00 1.00 ATOM 63 CA ALA 71 34.977 54.304 54.589 1.00 1.00 ATOM 64 CA ILE 72 32.366 53.514 57.326 1.00 1.00 ATOM 65 CA GLY 73 32.517 57.166 58.447 1.00 1.00 ATOM 66 CA LEU 74 31.733 58.388 54.974 1.00 1.00 ATOM 67 CA PRO 75 28.501 56.302 55.126 1.00 1.00 ATOM 68 CA LEU 76 27.180 58.430 58.020 1.00 1.00 ATOM 69 CA PRO 77 27.069 61.401 55.615 1.00 1.00 ATOM 70 CA SER 78 23.621 62.763 54.878 1.00 1.00 ATOM 71 CA SER 79 24.104 62.948 51.103 1.00 1.00 ATOM 72 CA SER 80 23.181 59.942 48.848 1.00 1.00 ATOM 73 CA ILE 81 26.140 60.656 46.542 1.00 1.00 ATOM 74 CA LEU 82 28.799 60.393 49.281 1.00 1.00 ATOM 75 CA SER 83 27.275 57.296 50.827 1.00 1.00 ATOM 76 CA TRP 84 26.725 55.407 47.516 1.00 1.00 ATOM 77 CA LYS 85 30.356 56.237 46.486 1.00 1.00 ATOM 78 CA PHE 86 31.717 54.905 49.795 1.00 1.00 ATOM 79 CA CYS 87 29.826 51.682 49.148 1.00 1.00 ATOM 80 CA HIS 88 31.120 51.323 45.632 1.00 1.00 ATOM 81 CA VAL 89 34.782 51.961 46.845 1.00 1.00 ATOM 82 CA LEU 90 34.372 49.227 49.469 1.00 1.00 ATOM 83 CA HIS 91 32.992 46.803 46.779 1.00 1.00 ATOM 84 CA LYS 92 35.872 47.538 44.340 1.00 1.00 ATOM 85 CA VAL 93 38.407 46.875 47.213 1.00 1.00 ATOM 86 CA LEU 94 36.728 43.561 48.067 1.00 1.00 ATOM 87 CA ARG 95 37.074 42.614 44.377 1.00 1.00 ATOM 88 CA ASP 96 40.536 43.937 43.369 1.00 1.00 ATOM 89 CA GLY 97 42.237 44.494 46.748 1.00 1.00 ATOM 90 CA HIS 98 44.376 42.070 48.696 1.00 1.00 ATOM 91 CA PRO 99 42.448 39.405 50.558 1.00 1.00 ATOM 92 CA ASN 100 43.419 40.876 53.896 1.00 1.00 ATOM 93 CA VAL 101 40.782 43.614 53.245 1.00 1.00 ATOM 94 CA LEU 102 37.791 41.350 52.993 1.00 1.00 ATOM 95 CA HIS 103 39.234 39.188 55.884 1.00 1.00 ATOM 96 CA CYS 105 39.126 42.211 58.146 1.00 1.00 ATOM 97 CA GLN 106 35.551 43.146 57.089 1.00 1.00 ATOM 98 CA ARG 107 34.413 39.597 57.731 1.00 1.00 ATOM 99 CA TYR 108 36.004 39.687 61.185 1.00 1.00 ATOM 100 CA ARG 109 33.952 42.578 62.493 1.00 1.00 ATOM 101 CA SER 110 30.618 41.986 64.123 1.00 1.00 ATOM 102 CA ASN 111 28.719 44.932 62.719 1.00 1.00 ATOM 103 CA ILE 112 29.146 46.242 59.157 1.00 1.00 ATOM 104 CA ARG 113 26.866 48.688 57.244 1.00 1.00 ATOM 105 CA GLU 114 23.760 49.906 58.989 1.00 1.00 ATOM 106 CA ILE 115 21.907 51.729 56.298 1.00 1.00 ATOM 107 CA GLY 116 18.555 49.919 56.434 1.00 1.00 ATOM 108 CA ASP 117 16.733 53.173 57.101 1.00 1.00 ATOM 109 CA LEU 118 18.782 55.527 54.879 1.00 1.00 ATOM 110 CA TRP 119 16.804 58.343 53.180 1.00 1.00 ATOM 111 CA GLY 120 18.197 61.489 51.560 1.00 1.00 ATOM 112 CA HIS 121 15.121 63.712 51.006 1.00 1.00 ATOM 113 CA LEU 122 16.926 66.705 49.621 1.00 1.00 ATOM 114 CA ARG 123 15.782 66.195 46.045 1.00 1.00 ATOM 118 CA ASP 124 14.643 59.727 47.206 1.00 1.00 ATOM 119 CA GLN 125 14.989 57.464 44.230 1.00 1.00 ATOM 120 CA TYR 126 18.649 56.490 44.997 1.00 1.00 ATOM 121 CA GLY 127 18.032 55.874 48.736 1.00 1.00 ATOM 122 CA HIS 128 16.320 52.598 47.954 1.00 1.00 ATOM 123 CA LEU 129 19.319 51.291 45.959 1.00 1.00 ATOM 124 CA VAL 130 21.670 52.271 48.803 1.00 1.00 ATOM 125 CA ASN 131 19.690 50.125 51.200 1.00 1.00 ATOM 126 CA ILE 132 19.767 47.157 48.920 1.00 1.00 ATOM 127 CA TYR 133 23.395 47.453 47.866 1.00 1.00 ATOM 128 CA THR 134 24.628 47.780 51.470 1.00 1.00 ATOM 129 CA LYS 135 22.736 44.556 52.407 1.00 1.00 ATOM 130 CA LEU 136 24.476 42.739 49.557 1.00 1.00 ATOM 131 CA LEU 137 27.914 43.979 50.745 1.00 1.00 ATOM 132 CA LEU 138 27.136 42.765 54.315 1.00 1.00 ATOM 133 CA THR 139 26.151 39.363 53.019 1.00 1.00 ATOM 134 CA LYS 140 29.302 39.175 50.957 1.00 1.00 ATOM 135 CA ILE 141 31.429 39.665 54.151 1.00 1.00 ATOM 136 CA SER 142 29.288 37.104 56.144 1.00 1.00 ATOM 137 CA PHE 143 29.772 34.496 53.491 1.00 1.00 ATOM 138 CA HIS 144 33.589 34.938 53.664 1.00 1.00 ATOM 139 CA LEU 145 33.341 34.617 57.421 1.00 1.00 ATOM 140 CA LYS 146 31.419 31.324 57.220 1.00 1.00 ATOM 141 CA HIS 147 33.475 29.365 54.639 1.00 1.00 ATOM 142 CA PRO 148 36.834 31.106 54.809 1.00 1.00 ATOM 143 CA LEU 154 37.212 31.781 51.051 1.00 1.00 ATOM 144 CA GLU 155 35.670 34.054 48.383 1.00 1.00 ATOM 145 CA LYS 163 33.245 32.211 46.053 1.00 1.00 ATOM 146 CA ALA 164 34.101 34.674 43.254 1.00 1.00 ATOM 147 CA ALA 165 37.846 34.141 43.144 1.00 1.00 ATOM 148 CA GLY 166 38.546 30.391 43.596 1.00 1.00 ATOM 149 CA THR 167 39.727 27.925 40.925 1.00 1.00 ATOM 150 CA ASP 168 37.021 26.808 38.592 1.00 1.00 ATOM 151 CA VAL 169 36.911 23.906 36.178 1.00 1.00 ATOM 152 CA ASN 170 37.458 20.286 37.317 1.00 1.00 ATOM 153 CA ASN 171 40.600 20.915 39.342 1.00 1.00 ATOM 154 CA ILE 172 38.757 23.481 41.509 1.00 1.00 ATOM 155 CA PHE 173 37.349 23.684 45.003 1.00 1.00 ATOM 156 CA GLN 174 33.790 23.945 43.942 1.00 1.00 ATOM 157 CA LEU 175 34.269 20.940 41.646 1.00 1.00 ATOM 158 CA THR 176 36.326 18.814 44.034 1.00 1.00 ATOM 159 CA VAL 177 34.840 19.194 47.496 1.00 1.00 ATOM 160 CA GLU 178 33.613 16.372 49.829 1.00 1.00 ATOM 161 CA MET 179 29.895 15.639 50.186 1.00 1.00 ATOM 162 CA PHE 180 29.493 16.986 53.755 1.00 1.00 ATOM 163 CA ASP 181 31.107 20.413 53.132 1.00 1.00 ATOM 164 CA TYR 182 29.169 20.657 49.817 1.00 1.00 ATOM 165 CA MET 183 25.868 20.254 51.518 1.00 1.00 ATOM 166 CA ASP 184 26.877 22.985 53.900 1.00 1.00 ATOM 167 CA CYS 185 28.246 25.430 51.357 1.00 1.00 ATOM 168 CA GLU 186 25.832 25.551 48.394 1.00 1.00 ATOM 169 CA LEU 187 23.141 27.122 50.619 1.00 1.00 ATOM 170 CA LYS 188 25.590 29.965 51.529 1.00 1.00 ATOM 171 CA LEU 189 26.058 30.751 47.808 1.00 1.00 ATOM 172 CA SER 190 22.308 30.729 47.383 1.00 1.00 ATOM 173 CA GLU 191 22.024 33.220 50.096 1.00 1.00 ATOM 174 CA SER 192 24.639 35.589 48.708 1.00 1.00 ATOM 175 CA VAL 193 22.933 35.320 45.274 1.00 1.00 ATOM 176 CA PHE 194 19.514 36.258 46.648 1.00 1.00 ATOM 177 CA ARG 195 20.886 39.395 48.253 1.00 1.00 ATOM 178 CA GLN 196 22.594 40.303 44.952 1.00 1.00 ATOM 179 CA LEU 197 19.358 39.730 42.924 1.00 1.00 ATOM 180 CA ASN 198 17.306 41.910 45.396 1.00 1.00 ATOM 181 CA ALA 200 19.148 44.915 44.024 1.00 1.00 ATOM 182 CA ILE 201 16.241 44.615 41.560 1.00 1.00 ATOM 183 CA ALA 202 16.960 47.359 39.140 1.00 1.00 ATOM 184 CA VAL 203 15.324 47.968 35.702 1.00 1.00 ATOM 185 CA SER 204 17.117 49.448 32.682 1.00 1.00 ATOM 186 CA GLN 205 15.138 52.646 32.869 1.00 1.00 ATOM 187 CA MET 206 16.457 53.360 36.390 1.00 1.00 ATOM 188 CA SER 207 20.192 53.242 35.386 1.00 1.00 ATOM 189 CA SER 208 20.309 56.963 34.780 1.00 1.00 ATOM 190 CA GLY 209 23.424 58.309 36.385 1.00 1.00 ATOM 191 CA GLN 210 27.099 57.458 36.698 1.00 1.00 ATOM 192 CA CYS 211 26.969 56.471 40.340 1.00 1.00 ATOM 193 CA ARG 212 24.311 53.770 40.107 1.00 1.00 ATOM 194 CA LEU 213 25.798 52.613 36.782 1.00 1.00 ATOM 195 CA ALA 214 29.218 52.021 38.476 1.00 1.00 ATOM 196 CA PRO 215 27.476 49.938 41.206 1.00 1.00 ATOM 197 CA LEU 216 25.682 47.896 38.544 1.00 1.00 ATOM 198 CA ILE 217 28.952 47.070 36.629 1.00 1.00 ATOM 199 CA GLN 218 30.491 45.579 39.782 1.00 1.00 ATOM 200 CA VAL 219 27.329 43.712 40.664 1.00 1.00 ATOM 201 CA ILE 220 27.334 42.224 37.102 1.00 1.00 ATOM 202 CA GLN 221 30.898 40.952 37.611 1.00 1.00 ATOM 203 CA ASP 222 30.056 39.344 40.954 1.00 1.00 ATOM 204 CA CYS 223 26.794 37.803 39.508 1.00 1.00 ATOM 205 CA SER 224 28.611 35.908 36.718 1.00 1.00 ATOM 206 CA HIS 225 31.387 34.533 38.961 1.00 1.00 ATOM 207 CA LEU 226 28.920 33.616 41.680 1.00 1.00 ATOM 208 CA TYR 227 26.740 31.778 39.159 1.00 1.00 ATOM 209 CA HIS 228 29.771 29.908 37.849 1.00 1.00 ATOM 210 CA TYR 229 30.478 28.682 41.378 1.00 1.00 ATOM 211 CA THR 230 26.856 27.841 42.138 1.00 1.00 ATOM 219 CA VAL 231 24.437 15.492 40.736 1.00 1.00 ATOM 220 CA LYS 232 27.718 13.558 40.372 1.00 1.00 ATOM 221 CA LEU 233 27.382 12.298 44.004 1.00 1.00 ATOM 222 CA MET 234 23.578 12.333 44.476 1.00 1.00 ATOM 223 CA PHE 235 22.723 8.683 43.674 1.00 1.00 ATOM 224 CA LYS 236 25.685 7.346 45.821 1.00 1.00 ATOM 225 CA LEU 237 24.539 9.140 49.055 1.00 1.00 ATOM 226 CA HIS 238 22.700 8.713 52.406 1.00 1.00 ATOM 227 CA SER 239 18.915 8.998 52.415 1.00 1.00 ATOM 228 CA CYS 240 18.524 12.228 54.430 1.00 1.00 ATOM 229 CA LEU 241 21.502 13.716 52.598 1.00 1.00 ATOM 230 CA PRO 242 19.615 12.998 49.335 1.00 1.00 ATOM 231 CA ALA 243 16.743 14.855 50.903 1.00 1.00 ATOM 232 CA ASP 244 18.871 17.919 51.498 1.00 1.00 ATOM 233 CA THR 245 20.393 17.791 47.967 1.00 1.00 ATOM 234 CA LEU 246 16.888 17.584 46.577 1.00 1.00 ATOM 235 CA GLN 247 15.990 20.856 48.275 1.00 1.00 ATOM 236 CA GLY 248 19.098 22.595 46.955 1.00 1.00 ATOM 237 CA HIS 249 18.548 21.504 43.316 1.00 1.00 ATOM 238 CA ARG 250 15.065 22.662 43.841 1.00 1.00 ATOM 239 CA ARG 252 15.952 26.200 44.908 1.00 1.00 ATOM 240 CA PHE 253 18.715 26.419 42.222 1.00 1.00 ATOM 241 CA HIS 254 16.117 25.953 39.436 1.00 1.00 ATOM 242 CA GLU 255 14.043 28.825 40.857 1.00 1.00 ATOM 243 CA GLN 256 17.169 31.039 41.100 1.00 1.00 ATOM 244 CA PHE 257 18.051 30.132 37.478 1.00 1.00 ATOM 245 CA HIS 258 15.085 32.098 36.260 1.00 1.00 ATOM 246 CA SER 259 15.844 35.092 38.394 1.00 1.00 ATOM 247 CA LEU 260 19.386 35.209 37.087 1.00 1.00 ATOM 248 CA ARG 261 17.993 35.123 33.507 1.00 1.00 ATOM 249 CA ASN 262 15.956 38.240 34.275 1.00 1.00 ATOM 250 CA PHE 263 19.031 39.971 35.671 1.00 1.00 ATOM 251 CA PHE 264 21.139 39.210 32.538 1.00 1.00 ATOM 252 CA ARG 265 18.386 40.533 30.353 1.00 1.00 ATOM 253 CA ARG 266 18.664 43.960 32.121 1.00 1.00 ATOM 254 CA ALA 267 22.333 43.760 31.223 1.00 1.00 ATOM 255 CA SER 268 21.544 42.989 27.626 1.00 1.00 ATOM 256 CA ASP 269 19.069 45.918 27.475 1.00 1.00 ATOM 257 CA MET 270 21.650 48.337 28.866 1.00 1.00 ATOM 258 CA LEU 271 24.190 47.420 26.175 1.00 1.00 ATOM 259 CA TYR 272 26.772 45.098 27.806 1.00 1.00 ATOM 260 CA PHE 273 28.993 43.310 25.289 1.00 1.00 ATOM 261 CA LYS 274 27.106 40.031 24.499 1.00 1.00 ATOM 262 CA ARG 275 30.456 38.158 24.609 1.00 1.00 ATOM 263 CA GLN 278 30.683 38.886 28.396 1.00 1.00 ATOM 264 CA ILE 279 27.225 37.448 29.189 1.00 1.00 ATOM 265 CA PRO 280 27.384 33.736 30.101 1.00 1.00 ATOM 266 CA ARG 281 25.363 31.105 28.323 1.00 1.00 ATOM 267 CA LEU 282 22.813 29.614 30.610 1.00 1.00 ATOM 268 CA PRO 283 22.211 26.356 28.656 1.00 1.00 ATOM 269 CA GLU 284 23.563 24.165 31.453 1.00 1.00 ATOM 270 CA GLY 285 22.087 21.597 34.024 1.00 1.00 ATOM 271 CA PRO 286 18.209 21.790 34.614 1.00 1.00 ATOM 272 CA PRO 287 16.790 18.788 32.738 1.00 1.00 ATOM 273 CA ASN 288 17.133 16.202 35.622 1.00 1.00 ATOM 274 CA PHE 289 14.407 16.969 38.215 1.00 1.00 ATOM 275 CA LEU 290 13.462 13.260 38.141 1.00 1.00 ATOM 276 CA ARG 291 15.653 12.110 40.984 1.00 1.00 ATOM 277 CA ALA 292 12.781 13.556 43.058 1.00 1.00 ATOM 278 CA SER 293 11.932 9.873 42.923 1.00 1.00 ATOM 279 CA ALA 294 15.298 8.374 43.677 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 09:00:22 2002 Date: Wed, 24 Jul 2002 09:00:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:33:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_462670_13652 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS007_1 Current information on models submitted in prediction T0133TS007 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_1 PIN_462670_13652 6269-7633-6117 07/24/02 08:33:17 casp5@bialko.llnl.gov T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_1 PIN_462670_13652 6269-7633-6117 07/24/02 08:33:17 casp5@bialko.llnl.gov T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1HFA_A # Loading PARENT structure: 1hfa (chain: A) # Number of residues in PARENT structure: 263 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue T 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue S 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 250 # Total number of atoms in model: 250 # Number of atoms with 1.0 occupancy: 250 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 250 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1HFA_A ATOM 19 CA ASP 28 47.202 57.402 57.140 1.00 1.00 ATOM 20 CA LYS 29 46.574 61.029 56.363 1.00 1.00 ATOM 21 CA THR 30 47.496 59.992 52.701 1.00 1.00 ATOM 22 CA GLN 31 45.031 57.049 53.045 1.00 1.00 ATOM 23 CA ALA 32 42.326 59.122 54.621 1.00 1.00 ATOM 24 CA ILE 33 42.634 61.917 52.018 1.00 1.00 ATOM 25 CA SER 34 42.276 59.375 49.144 1.00 1.00 ATOM 26 CA ILE 35 39.206 57.940 50.718 1.00 1.00 ATOM 27 CA SER 36 37.707 61.472 50.705 1.00 1.00 ATOM 28 CA LYS 37 38.709 61.958 47.094 1.00 1.00 ATOM 29 CA ALA 38 36.980 58.714 46.092 1.00 1.00 ATOM 30 CA ILE 39 33.864 59.844 47.841 1.00 1.00 ATOM 31 CA ASN 40 33.261 63.365 46.816 1.00 1.00 ATOM 32 CA SER 41 29.925 64.890 46.101 1.00 1.00 ATOM 33 CA GLN 42 30.436 64.688 42.350 1.00 1.00 ATOM 34 CA GLU 43 27.848 62.449 40.421 1.00 1.00 ATOM 35 CA ALA 44 30.080 59.863 39.043 1.00 1.00 ATOM 36 CA PRO 45 31.586 56.705 40.476 1.00 1.00 ATOM 37 CA VAL 46 34.961 56.934 42.241 1.00 1.00 ATOM 38 CA LYS 47 37.827 57.750 39.923 1.00 1.00 ATOM 39 CA GLU 48 40.212 55.003 38.739 1.00 1.00 ATOM 40 CA LYS 49 43.254 56.959 39.995 1.00 1.00 ATOM 41 CA HIS 50 41.932 57.009 43.585 1.00 1.00 ATOM 42 CA ALA 51 40.766 53.350 43.374 1.00 1.00 ATOM 43 CA ARG 52 44.258 52.132 42.184 1.00 1.00 ATOM 44 CA ARG 53 45.963 53.905 45.108 1.00 1.00 ATOM 45 CA ILE 54 43.598 52.209 47.584 1.00 1.00 ATOM 46 CA ILE 55 44.121 48.887 45.999 1.00 1.00 ATOM 47 CA LEU 56 47.944 49.353 46.461 1.00 1.00 ATOM 48 CA GLY 57 47.231 50.302 50.045 1.00 1.00 ATOM 49 CA THR 58 45.699 46.923 50.665 1.00 1.00 ATOM 50 CA HIS 59 48.669 45.177 49.287 1.00 1.00 ATOM 51 CA HIS 60 51.243 46.848 51.675 1.00 1.00 ATOM 52 CA GLU 61 52.045 44.988 54.913 1.00 1.00 ATOM 53 CA LYS 62 52.467 48.186 56.790 1.00 1.00 ATOM 55 CA GLY 63 46.706 49.370 58.872 1.00 1.00 ATOM 56 CA ALA 64 43.576 47.867 57.317 1.00 1.00 ATOM 57 CA PHE 65 41.171 48.789 60.093 1.00 1.00 ATOM 58 CA THR 66 41.850 52.409 59.851 1.00 1.00 ATOM 59 CA PHE 67 41.272 52.294 56.051 1.00 1.00 ATOM 60 CA TRP 68 37.929 50.457 56.656 1.00 1.00 ATOM 61 CA SER 69 36.841 52.851 59.322 1.00 1.00 ATOM 62 CA TYR 70 37.270 55.877 57.164 1.00 1.00 ATOM 63 CA ALA 71 34.937 54.165 54.592 1.00 1.00 ATOM 64 CA ILE 72 32.282 53.462 57.327 1.00 1.00 ATOM 65 CA GLY 73 32.461 57.113 58.384 1.00 1.00 ATOM 66 CA LEU 74 31.729 58.285 54.938 1.00 1.00 ATOM 67 CA PRO 75 28.515 56.214 55.102 1.00 1.00 ATOM 68 CA LEU 76 27.152 58.356 57.971 1.00 1.00 ATOM 69 CA PRO 77 27.063 61.286 55.617 1.00 1.00 ATOM 70 CA SER 78 23.587 62.631 54.893 1.00 1.00 ATOM 71 CA SER 79 24.109 62.824 51.104 1.00 1.00 ATOM 72 CA SER 80 23.197 59.852 48.827 1.00 1.00 ATOM 73 CA ILE 81 26.084 60.510 46.517 1.00 1.00 ATOM 74 CA LEU 82 28.767 60.289 49.275 1.00 1.00 ATOM 75 CA SER 83 27.197 57.209 50.780 1.00 1.00 ATOM 76 CA TRP 84 26.740 55.305 47.468 1.00 1.00 ATOM 77 CA LYS 85 30.352 56.071 46.437 1.00 1.00 ATOM 78 CA PHE 86 31.661 54.792 49.729 1.00 1.00 ATOM 79 CA CYS 87 29.796 51.569 49.140 1.00 1.00 ATOM 80 CA HIS 88 31.044 51.262 45.613 1.00 1.00 ATOM 81 CA VAL 89 34.746 51.893 46.773 1.00 1.00 ATOM 82 CA LEU 90 34.255 49.150 49.388 1.00 1.00 ATOM 83 CA HIS 91 32.873 46.686 46.764 1.00 1.00 ATOM 84 CA LYS 92 35.759 47.548 44.376 1.00 1.00 ATOM 85 CA VAL 93 38.358 46.781 47.194 1.00 1.00 ATOM 86 CA LEU 94 36.641 43.526 48.011 1.00 1.00 ATOM 87 CA ARG 95 36.957 42.522 44.370 1.00 1.00 ATOM 88 CA ASP 96 40.401 43.877 43.338 1.00 1.00 ATOM 89 CA GLY 97 42.138 44.290 46.720 1.00 1.00 ATOM 90 CA HIS 98 44.307 41.946 48.692 1.00 1.00 ATOM 91 CA PRO 99 42.361 39.256 50.515 1.00 1.00 ATOM 92 CA ASN 100 43.329 40.760 53.845 1.00 1.00 ATOM 93 CA VAL 101 40.653 43.465 53.223 1.00 1.00 ATOM 94 CA LEU 102 37.666 41.221 52.985 1.00 1.00 ATOM 95 CA HIS 103 39.118 39.051 55.865 1.00 1.00 ATOM 96 CA CYS 105 39.009 42.088 58.141 1.00 1.00 ATOM 97 CA GLN 106 35.486 42.972 57.046 1.00 1.00 ATOM 98 CA ARG 107 34.314 39.531 57.733 1.00 1.00 ATOM 99 CA TYR 108 35.808 39.554 61.282 1.00 1.00 ATOM 100 CA ARG 109 33.792 42.485 62.599 1.00 1.00 ATOM 101 CA SER 110 30.408 41.995 64.120 1.00 1.00 ATOM 102 CA ASN 111 28.607 44.896 62.575 1.00 1.00 ATOM 103 CA ILE 112 29.081 46.153 59.027 1.00 1.00 ATOM 104 CA ARG 113 26.810 48.606 57.202 1.00 1.00 ATOM 105 CA GLU 114 23.760 49.780 58.856 1.00 1.00 ATOM 106 CA ILE 115 21.918 51.671 56.233 1.00 1.00 ATOM 107 CA GLY 116 18.538 49.861 56.433 1.00 1.00 ATOM 108 CA ASP 117 16.719 53.081 57.087 1.00 1.00 ATOM 109 CA LEU 118 18.753 55.433 54.882 1.00 1.00 ATOM 110 CA TRP 119 16.728 58.201 53.149 1.00 1.00 ATOM 111 CA GLY 120 18.145 61.359 51.522 1.00 1.00 ATOM 112 CA HIS 121 15.130 63.743 50.932 1.00 1.00 ATOM 113 CA LEU 122 16.931 66.654 49.567 1.00 1.00 ATOM 114 CA ARG 123 15.847 66.089 46.036 1.00 1.00 ATOM 118 CA ASP 124 14.599 59.674 47.169 1.00 1.00 ATOM 119 CA GLN 125 14.967 57.381 44.177 1.00 1.00 ATOM 120 CA TYR 126 18.690 56.396 44.930 1.00 1.00 ATOM 121 CA GLY 127 17.992 55.782 48.681 1.00 1.00 ATOM 122 CA HIS 128 16.289 52.537 47.914 1.00 1.00 ATOM 123 CA LEU 129 19.236 51.202 45.898 1.00 1.00 ATOM 124 CA VAL 130 21.607 52.159 48.744 1.00 1.00 ATOM 125 CA ASN 131 19.668 50.004 51.192 1.00 1.00 ATOM 126 CA ILE 132 19.665 47.093 48.885 1.00 1.00 ATOM 127 CA TYR 133 23.322 47.423 47.810 1.00 1.00 ATOM 128 CA THR 134 24.561 47.726 51.388 1.00 1.00 ATOM 129 CA LYS 135 22.690 44.529 52.358 1.00 1.00 ATOM 130 CA LEU 136 24.405 42.710 49.521 1.00 1.00 ATOM 131 CA LEU 137 27.854 43.898 50.743 1.00 1.00 ATOM 132 CA LEU 138 27.036 42.687 54.309 1.00 1.00 ATOM 133 CA THR 139 26.098 39.272 53.005 1.00 1.00 ATOM 134 CA LYS 140 29.255 39.062 50.919 1.00 1.00 ATOM 135 CA ILE 141 31.321 39.555 54.080 1.00 1.00 ATOM 136 CA SER 142 29.178 37.104 56.101 1.00 1.00 ATOM 137 CA PHE 143 29.631 34.430 53.501 1.00 1.00 ATOM 138 CA HIS 144 33.403 34.854 53.646 1.00 1.00 ATOM 139 CA LEU 145 33.195 34.466 57.396 1.00 1.00 ATOM 140 CA LYS 146 31.171 31.261 57.164 1.00 1.00 ATOM 141 CA HIS 147 33.246 29.302 54.610 1.00 1.00 ATOM 142 CA PRO 148 36.632 30.982 54.734 1.00 1.00 ATOM 143 CA LEU 154 37.060 31.617 50.999 1.00 1.00 ATOM 144 CA GLU 155 35.571 33.972 48.335 1.00 1.00 ATOM 145 CA LYS 163 33.201 32.147 46.034 1.00 1.00 ATOM 146 CA ALA 164 34.004 34.697 43.290 1.00 1.00 ATOM 147 CA ALA 165 37.736 34.001 43.282 1.00 1.00 ATOM 148 CA GLY 166 38.455 30.274 43.673 1.00 1.00 ATOM 149 CA THR 167 39.700 27.827 40.978 1.00 1.00 ATOM 150 CA ASP 168 36.980 26.758 38.627 1.00 1.00 ATOM 151 CA VAL 169 36.750 23.746 36.361 1.00 1.00 ATOM 152 CA ASN 170 37.325 20.124 37.499 1.00 1.00 ATOM 153 CA ASN 171 40.449 20.677 39.527 1.00 1.00 ATOM 154 CA ILE 172 38.547 23.385 41.599 1.00 1.00 ATOM 155 CA PHE 173 37.103 23.771 45.080 1.00 1.00 ATOM 156 CA GLN 174 33.529 24.040 44.277 1.00 1.00 ATOM 157 CA LEU 175 33.818 20.859 42.165 1.00 1.00 ATOM 158 CA THR 176 36.213 18.595 44.194 1.00 1.00 ATOM 159 CA VAL 177 34.511 18.964 47.594 1.00 1.00 ATOM 160 CA GLU 178 33.371 16.117 49.782 1.00 1.00 ATOM 161 CA MET 179 29.702 15.508 50.134 1.00 1.00 ATOM 162 CA PHE 180 29.500 16.883 53.678 1.00 1.00 ATOM 163 CA ASP 181 30.986 20.341 53.099 1.00 1.00 ATOM 164 CA TYR 182 29.007 20.580 49.780 1.00 1.00 ATOM 165 CA MET 183 25.737 20.178 51.454 1.00 1.00 ATOM 166 CA ASP 184 26.851 22.845 53.782 1.00 1.00 ATOM 167 CA CYS 185 28.123 25.392 51.341 1.00 1.00 ATOM 168 CA GLU 186 25.654 25.449 48.431 1.00 1.00 ATOM 169 CA LEU 187 22.968 27.041 50.626 1.00 1.00 ATOM 170 CA LYS 188 25.434 29.879 51.507 1.00 1.00 ATOM 171 CA LEU 189 25.984 30.646 47.821 1.00 1.00 ATOM 172 CA SER 190 22.275 30.708 47.415 1.00 1.00 ATOM 173 CA GLU 191 21.843 33.179 50.117 1.00 1.00 ATOM 174 CA SER 192 24.519 35.515 48.700 1.00 1.00 ATOM 175 CA VAL 193 22.895 35.179 45.304 1.00 1.00 ATOM 176 CA PHE 194 19.475 36.096 46.634 1.00 1.00 ATOM 177 CA ARG 195 20.802 39.276 48.205 1.00 1.00 ATOM 178 CA GLN 196 22.597 40.187 45.003 1.00 1.00 ATOM 179 CA LEU 197 19.318 39.684 43.002 1.00 1.00 ATOM 180 CA ASN 198 17.217 41.841 45.412 1.00 1.00 ATOM 181 CA ALA 200 19.038 44.861 44.044 1.00 1.00 ATOM 182 CA ILE 201 16.229 44.493 41.486 1.00 1.00 ATOM 183 CA ALA 202 16.986 47.321 39.125 1.00 1.00 ATOM 184 CA VAL 203 15.335 47.922 35.703 1.00 1.00 ATOM 185 CA SER 204 17.010 49.313 32.646 1.00 1.00 ATOM 186 CA GLN 205 15.160 52.506 32.825 1.00 1.00 ATOM 187 CA MET 206 16.401 53.213 36.370 1.00 1.00 ATOM 188 CA SER 207 20.123 53.184 35.359 1.00 1.00 ATOM 189 CA SER 208 20.322 56.863 34.811 1.00 1.00 ATOM 190 CA GLY 209 23.435 58.245 36.375 1.00 1.00 ATOM 191 CA GLN 210 27.038 57.315 36.676 1.00 1.00 ATOM 192 CA CYS 211 26.935 56.352 40.338 1.00 1.00 ATOM 193 CA ARG 212 24.272 53.701 40.100 1.00 1.00 ATOM 194 CA LEU 213 25.763 52.477 36.772 1.00 1.00 ATOM 195 CA ALA 214 29.167 51.892 38.460 1.00 1.00 ATOM 196 CA PRO 215 27.437 49.839 41.139 1.00 1.00 ATOM 197 CA LEU 216 25.608 47.789 38.510 1.00 1.00 ATOM 198 CA ILE 217 28.784 46.963 36.599 1.00 1.00 ATOM 199 CA GLN 218 30.367 45.521 39.713 1.00 1.00 ATOM 200 CA VAL 219 27.262 43.648 40.649 1.00 1.00 ATOM 201 CA ILE 220 27.306 42.152 37.073 1.00 1.00 ATOM 202 CA GLN 221 30.825 40.866 37.597 1.00 1.00 ATOM 203 CA ASP 222 30.027 39.297 40.911 1.00 1.00 ATOM 204 CA CYS 223 26.760 37.746 39.497 1.00 1.00 ATOM 205 CA SER 224 28.515 35.903 36.698 1.00 1.00 ATOM 206 CA HIS 225 31.208 34.438 38.929 1.00 1.00 ATOM 207 CA LEU 226 28.766 33.535 41.669 1.00 1.00 ATOM 208 CA TYR 227 26.659 31.700 39.121 1.00 1.00 ATOM 209 CA HIS 228 29.641 29.787 37.855 1.00 1.00 ATOM 210 CA TYR 229 30.300 28.607 41.360 1.00 1.00 ATOM 211 CA THR 230 26.712 27.803 42.126 1.00 1.00 ATOM 219 CA VAL 231 24.288 15.450 40.681 1.00 1.00 ATOM 220 CA LYS 232 27.537 13.547 40.358 1.00 1.00 ATOM 221 CA LEU 233 27.229 12.287 43.998 1.00 1.00 ATOM 222 CA MET 234 23.393 12.318 44.484 1.00 1.00 ATOM 223 CA PHE 235 22.796 8.571 43.868 1.00 1.00 ATOM 224 CA LYS 236 25.804 7.234 45.945 1.00 1.00 ATOM 225 CA LEU 237 24.588 9.124 49.109 1.00 1.00 ATOM 226 CA HIS 238 22.551 8.560 52.296 1.00 1.00 ATOM 227 CA SER 239 18.827 8.916 52.303 1.00 1.00 ATOM 228 CA CYS 240 18.475 12.046 54.426 1.00 1.00 ATOM 229 CA LEU 241 21.361 13.655 52.542 1.00 1.00 ATOM 230 CA PRO 242 19.588 12.982 49.201 1.00 1.00 ATOM 231 CA ALA 243 16.752 14.960 50.699 1.00 1.00 ATOM 232 CA ASP 244 18.691 18.047 51.594 1.00 1.00 ATOM 233 CA THR 245 20.256 17.581 48.159 1.00 1.00 ATOM 234 CA LEU 246 16.854 17.555 46.457 1.00 1.00 ATOM 235 CA GLN 247 15.938 20.758 48.220 1.00 1.00 ATOM 236 CA GLY 248 18.944 22.662 46.913 1.00 1.00 ATOM 237 CA HIS 249 18.389 21.549 43.261 1.00 1.00 ATOM 238 CA ARG 250 14.947 22.543 43.907 1.00 1.00 ATOM 239 CA ARG 252 15.818 26.091 44.895 1.00 1.00 ATOM 240 CA PHE 253 18.543 26.368 42.219 1.00 1.00 ATOM 241 CA HIS 254 15.976 25.915 39.476 1.00 1.00 ATOM 242 CA GLU 255 13.926 28.913 40.630 1.00 1.00 ATOM 243 CA GLN 256 17.132 30.984 41.077 1.00 1.00 ATOM 244 CA PHE 257 17.998 30.148 37.411 1.00 1.00 ATOM 245 CA HIS 258 14.963 31.952 36.390 1.00 1.00 ATOM 246 CA SER 259 15.802 35.075 38.340 1.00 1.00 ATOM 247 CA LEU 260 19.352 35.114 36.999 1.00 1.00 ATOM 248 CA ARG 261 18.041 35.092 33.504 1.00 1.00 ATOM 249 CA ASN 262 15.916 38.156 34.237 1.00 1.00 ATOM 250 CA PHE 263 18.985 39.930 35.674 1.00 1.00 ATOM 251 CA PHE 264 21.110 39.179 32.558 1.00 1.00 ATOM 252 CA ARG 265 18.414 40.452 30.395 1.00 1.00 ATOM 253 CA ARG 266 18.656 43.857 32.074 1.00 1.00 ATOM 254 CA ALA 267 22.295 43.663 31.234 1.00 1.00 ATOM 255 CA SER 268 21.538 42.880 27.639 1.00 1.00 ATOM 256 CA ASP 269 19.040 45.839 27.462 1.00 1.00 ATOM 257 CA MET 270 21.594 48.295 28.804 1.00 1.00 ATOM 258 CA LEU 271 24.129 47.298 26.143 1.00 1.00 ATOM 259 CA TYR 272 26.746 45.010 27.797 1.00 1.00 ATOM 260 CA PHE 273 28.961 43.238 25.287 1.00 1.00 ATOM 261 CA LYS 274 27.072 39.986 24.505 1.00 1.00 ATOM 262 CA ARG 275 30.400 38.188 24.577 1.00 1.00 ATOM 263 CA GLN 278 30.620 38.808 28.334 1.00 1.00 ATOM 264 CA ILE 279 27.196 37.449 29.160 1.00 1.00 ATOM 265 CA PRO 280 27.297 33.782 29.976 1.00 1.00 ATOM 266 CA ARG 281 25.286 31.115 28.343 1.00 1.00 ATOM 267 CA LEU 282 22.759 29.477 30.506 1.00 1.00 ATOM 268 CA PRO 283 21.725 26.286 28.577 1.00 1.00 ATOM 269 CA GLU 284 22.970 23.975 31.261 1.00 1.00 ATOM 270 CA GLY 285 21.818 21.356 33.976 1.00 1.00 ATOM 271 CA PRO 286 17.998 21.815 34.689 1.00 1.00 ATOM 272 CA PRO 287 16.349 18.850 33.087 1.00 1.00 ATOM 273 CA ASN 288 16.908 15.960 35.671 1.00 1.00 ATOM 274 CA PHE 289 14.202 16.842 38.252 1.00 1.00 ATOM 275 CA LEU 290 13.493 13.044 38.156 1.00 1.00 ATOM 276 CA ARG 291 15.551 12.005 41.161 1.00 1.00 ATOM 277 CA ALA 292 12.605 13.378 43.197 1.00 1.00 ATOM 278 CA SER 293 11.866 9.680 42.894 1.00 1.00 ATOM 279 CA ALA 294 15.097 8.082 43.854 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 09:01:20 2002 Date: Wed, 24 Jul 2002 09:01:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:33:51 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_466072_13654 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS007_3 Current information on models submitted in prediction T0133TS007 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_3 PIN_466072_13654 6269-7633-6117 07/24/02 08:33:51 casp5@bialko.llnl.gov T0133TS007_1 PIN_462670_13652 6269-7633-6117 07/24/02 08:33:17 casp5@bialko.llnl.gov T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS007_1 PIN_462670_13652 6269-7633-6117 07/24/02 08:33:17 casp5@bialko.llnl.gov T0133TS007_2 PIN_445868_13650 6269-7633-6117 07/24/02 08:31:49 casp5@bialko.llnl.gov T0133TS007_3 PIN_466072_13654 6269-7633-6117 07/24/02 08:33:51 casp5@bialko.llnl.gov T0133TS007_4 PIN_441365_13647 6269-7633-6117 07/24/02 08:31:04 casp5@bialko.llnl.gov T0133TS007_5 PIN_444199_13649 6269-7633-6117 07/24/02 08:31:35 casp5@bialko.llnl.gov T0133SS007_1 PIN_219235_10794 6269-7633-6117 06/15/02 15:10:19 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 T0133 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1HG5_A # Loading PARENT structure: 1hg5 (chain: A) # Number of residues in PARENT structure: 263 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue T 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue S 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 250 # Total number of atoms in model: 250 # Number of atoms with 1.0 occupancy: 250 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 250 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1HG5_A ATOM 19 CA ASP 28 47.114 57.177 57.087 1.00 1.00 ATOM 20 CA LYS 29 46.451 60.819 56.258 1.00 1.00 ATOM 21 CA THR 30 47.369 59.783 52.604 1.00 1.00 ATOM 22 CA GLN 31 44.863 56.883 52.959 1.00 1.00 ATOM 23 CA ALA 32 42.198 58.955 54.543 1.00 1.00 ATOM 24 CA ILE 33 42.473 61.733 51.993 1.00 1.00 ATOM 25 CA SER 34 42.156 59.203 49.119 1.00 1.00 ATOM 26 CA ILE 35 39.044 57.721 50.682 1.00 1.00 ATOM 27 CA SER 36 37.638 61.273 50.618 1.00 1.00 ATOM 28 CA LYS 37 38.559 61.748 47.008 1.00 1.00 ATOM 29 CA ALA 38 36.859 58.494 46.094 1.00 1.00 ATOM 30 CA ILE 39 33.726 59.649 47.741 1.00 1.00 ATOM 31 CA ASN 40 33.119 63.152 46.771 1.00 1.00 ATOM 32 CA SER 41 29.733 64.679 46.057 1.00 1.00 ATOM 33 CA GLN 42 30.334 64.455 42.328 1.00 1.00 ATOM 34 CA GLU 43 27.784 62.291 40.316 1.00 1.00 ATOM 35 CA ALA 44 29.985 59.600 39.021 1.00 1.00 ATOM 36 CA PRO 45 31.538 56.466 40.371 1.00 1.00 ATOM 37 CA VAL 46 34.876 56.734 42.165 1.00 1.00 ATOM 38 CA LYS 47 37.714 57.500 39.836 1.00 1.00 ATOM 39 CA GLU 48 40.128 54.727 38.679 1.00 1.00 ATOM 40 CA LYS 49 43.105 56.713 40.013 1.00 1.00 ATOM 41 CA HIS 50 41.828 56.742 43.655 1.00 1.00 ATOM 42 CA ALA 51 40.688 53.114 43.329 1.00 1.00 ATOM 43 CA ARG 52 44.133 51.908 42.112 1.00 1.00 ATOM 44 CA ARG 53 45.865 53.682 45.090 1.00 1.00 ATOM 45 CA ILE 54 43.461 52.009 47.502 1.00 1.00 ATOM 46 CA ILE 55 43.995 48.623 46.003 1.00 1.00 ATOM 47 CA LEU 56 47.748 49.207 46.425 1.00 1.00 ATOM 48 CA GLY 57 47.067 50.057 50.006 1.00 1.00 ATOM 49 CA THR 58 45.507 46.691 50.653 1.00 1.00 ATOM 50 CA HIS 59 48.494 45.016 49.248 1.00 1.00 ATOM 51 CA HIS 60 51.048 46.683 51.664 1.00 1.00 ATOM 52 CA GLU 61 51.829 44.853 54.883 1.00 1.00 ATOM 53 CA LYS 62 52.309 48.003 56.795 1.00 1.00 ATOM 55 CA GLY 63 46.514 49.197 58.773 1.00 1.00 ATOM 56 CA ALA 64 43.380 47.710 57.264 1.00 1.00 ATOM 57 CA PHE 65 41.014 48.665 60.073 1.00 1.00 ATOM 58 CA THR 66 41.707 52.327 59.800 1.00 1.00 ATOM 59 CA PHE 67 41.078 52.112 56.018 1.00 1.00 ATOM 60 CA TRP 68 37.736 50.336 56.605 1.00 1.00 ATOM 61 CA SER 69 36.674 52.720 59.282 1.00 1.00 ATOM 62 CA TYR 70 37.143 55.660 57.056 1.00 1.00 ATOM 63 CA ALA 71 34.796 53.995 54.491 1.00 1.00 ATOM 64 CA ILE 72 32.163 53.269 57.203 1.00 1.00 ATOM 65 CA GLY 73 32.301 56.900 58.269 1.00 1.00 ATOM 66 CA LEU 74 31.628 58.137 54.840 1.00 1.00 ATOM 67 CA PRO 75 28.405 56.023 55.023 1.00 1.00 ATOM 68 CA LEU 76 26.999 58.167 57.859 1.00 1.00 ATOM 69 CA PRO 77 26.894 61.089 55.514 1.00 1.00 ATOM 70 CA SER 78 23.466 62.434 54.753 1.00 1.00 ATOM 71 CA SER 79 24.055 62.631 50.993 1.00 1.00 ATOM 72 CA SER 80 23.067 59.682 48.747 1.00 1.00 ATOM 73 CA ILE 81 25.950 60.318 46.447 1.00 1.00 ATOM 74 CA LEU 82 28.614 60.089 49.152 1.00 1.00 ATOM 75 CA SER 83 27.122 57.007 50.698 1.00 1.00 ATOM 76 CA TRP 84 26.653 55.134 47.406 1.00 1.00 ATOM 77 CA LYS 85 30.233 55.896 46.341 1.00 1.00 ATOM 78 CA PHE 86 31.516 54.603 49.634 1.00 1.00 ATOM 79 CA CYS 87 29.623 51.370 49.065 1.00 1.00 ATOM 80 CA HIS 88 30.969 51.087 45.570 1.00 1.00 ATOM 81 CA VAL 89 34.595 51.671 46.754 1.00 1.00 ATOM 82 CA LEU 90 34.144 48.944 49.331 1.00 1.00 ATOM 83 CA HIS 91 32.773 46.443 46.743 1.00 1.00 ATOM 84 CA LYS 92 35.638 47.302 44.315 1.00 1.00 ATOM 85 CA VAL 93 38.198 46.583 47.147 1.00 1.00 ATOM 86 CA LEU 94 36.519 43.283 47.966 1.00 1.00 ATOM 87 CA ARG 95 36.881 42.277 44.314 1.00 1.00 ATOM 88 CA ASP 96 40.283 43.678 43.310 1.00 1.00 ATOM 89 CA GLY 97 42.023 44.160 46.683 1.00 1.00 ATOM 90 CA HIS 98 44.125 41.725 48.676 1.00 1.00 ATOM 91 CA PRO 99 42.171 39.061 50.510 1.00 1.00 ATOM 92 CA ASN 100 43.130 40.548 53.800 1.00 1.00 ATOM 93 CA VAL 101 40.491 43.259 53.200 1.00 1.00 ATOM 94 CA LEU 102 37.515 41.047 52.948 1.00 1.00 ATOM 95 CA HIS 103 38.976 38.899 55.797 1.00 1.00 ATOM 96 CA CYS 105 38.862 41.929 58.076 1.00 1.00 ATOM 97 CA GLN 106 35.333 42.835 56.999 1.00 1.00 ATOM 98 CA ARG 107 34.135 39.388 57.698 1.00 1.00 ATOM 99 CA TYR 108 35.749 39.475 61.231 1.00 1.00 ATOM 100 CA ARG 109 33.607 42.290 62.608 1.00 1.00 ATOM 101 CA SER 110 30.210 41.935 64.131 1.00 1.00 ATOM 102 CA ASN 111 28.449 44.803 62.538 1.00 1.00 ATOM 103 CA ILE 112 28.969 46.017 58.960 1.00 1.00 ATOM 104 CA ARG 113 26.725 48.420 57.089 1.00 1.00 ATOM 105 CA GLU 114 23.693 49.656 58.772 1.00 1.00 ATOM 106 CA ILE 115 21.758 51.496 56.164 1.00 1.00 ATOM 107 CA GLY 116 18.361 49.673 56.298 1.00 1.00 ATOM 108 CA ASP 117 16.573 52.883 56.947 1.00 1.00 ATOM 109 CA LEU 118 18.647 55.261 54.783 1.00 1.00 ATOM 110 CA TRP 119 16.625 58.013 53.042 1.00 1.00 ATOM 111 CA GLY 120 18.001 61.173 51.398 1.00 1.00 ATOM 112 CA HIS 121 14.989 63.543 50.834 1.00 1.00 ATOM 113 CA LEU 122 16.890 66.417 49.497 1.00 1.00 ATOM 114 CA ARG 123 15.776 65.952 45.966 1.00 1.00 ATOM 118 CA ASP 124 14.517 59.468 47.065 1.00 1.00 ATOM 119 CA GLN 125 14.876 57.181 44.085 1.00 1.00 ATOM 120 CA TYR 126 18.626 56.202 44.846 1.00 1.00 ATOM 121 CA GLY 127 17.866 55.585 48.533 1.00 1.00 ATOM 122 CA HIS 128 16.137 52.358 47.795 1.00 1.00 ATOM 123 CA LEU 129 19.138 51.027 45.844 1.00 1.00 ATOM 124 CA VAL 130 21.506 51.984 48.672 1.00 1.00 ATOM 125 CA ASN 131 19.527 49.858 51.075 1.00 1.00 ATOM 126 CA ILE 132 19.578 46.888 48.799 1.00 1.00 ATOM 127 CA TYR 133 23.226 47.236 47.771 1.00 1.00 ATOM 128 CA THR 134 24.446 47.523 51.355 1.00 1.00 ATOM 129 CA LYS 135 22.566 44.358 52.298 1.00 1.00 ATOM 130 CA LEU 136 24.282 42.498 49.449 1.00 1.00 ATOM 131 CA LEU 137 27.757 43.726 50.643 1.00 1.00 ATOM 132 CA LEU 138 26.929 42.548 54.206 1.00 1.00 ATOM 133 CA THR 139 25.986 39.125 52.914 1.00 1.00 ATOM 134 CA LYS 140 29.141 38.933 50.875 1.00 1.00 ATOM 135 CA ILE 141 31.134 39.434 54.051 1.00 1.00 ATOM 136 CA SER 142 29.067 36.930 56.016 1.00 1.00 ATOM 137 CA PHE 143 29.488 34.325 53.439 1.00 1.00 ATOM 138 CA HIS 144 33.275 34.708 53.604 1.00 1.00 ATOM 139 CA LEU 145 33.111 34.341 57.350 1.00 1.00 ATOM 140 CA LYS 146 31.061 31.148 57.148 1.00 1.00 ATOM 141 CA HIS 147 33.145 29.212 54.600 1.00 1.00 ATOM 142 CA PRO 148 36.559 30.844 54.660 1.00 1.00 ATOM 143 CA LEU 154 36.966 31.440 50.937 1.00 1.00 ATOM 144 CA GLU 155 35.416 33.814 48.323 1.00 1.00 ATOM 145 CA LYS 163 33.094 31.920 45.999 1.00 1.00 ATOM 146 CA ALA 164 33.908 34.330 43.257 1.00 1.00 ATOM 147 CA ALA 165 37.625 33.794 43.242 1.00 1.00 ATOM 148 CA GLY 166 38.311 30.063 43.731 1.00 1.00 ATOM 149 CA THR 167 39.537 27.637 40.971 1.00 1.00 ATOM 150 CA ASP 168 36.848 26.527 38.631 1.00 1.00 ATOM 151 CA VAL 169 36.708 23.525 36.354 1.00 1.00 ATOM 152 CA ASN 170 37.169 19.918 37.510 1.00 1.00 ATOM 153 CA ASN 171 40.279 20.436 39.601 1.00 1.00 ATOM 154 CA ILE 172 38.692 23.247 41.685 1.00 1.00 ATOM 155 CA PHE 173 37.015 23.657 45.053 1.00 1.00 ATOM 156 CA GLN 174 33.414 23.956 44.307 1.00 1.00 ATOM 157 CA LEU 175 33.746 20.797 42.209 1.00 1.00 ATOM 158 CA THR 176 36.130 18.523 44.250 1.00 1.00 ATOM 159 CA VAL 177 34.307 18.778 47.605 1.00 1.00 ATOM 160 CA GLU 178 33.111 15.986 49.796 1.00 1.00 ATOM 161 CA MET 179 29.481 15.367 50.193 1.00 1.00 ATOM 162 CA PHE 180 29.340 16.777 53.722 1.00 1.00 ATOM 163 CA ASP 181 30.807 20.254 53.102 1.00 1.00 ATOM 164 CA TYR 182 28.817 20.418 49.812 1.00 1.00 ATOM 165 CA MET 183 25.502 20.069 51.409 1.00 1.00 ATOM 166 CA ASP 184 26.621 22.736 53.702 1.00 1.00 ATOM 167 CA CYS 185 27.964 25.218 51.311 1.00 1.00 ATOM 168 CA GLU 186 25.493 25.319 48.444 1.00 1.00 ATOM 169 CA LEU 187 22.879 26.965 50.635 1.00 1.00 ATOM 170 CA LYS 188 25.324 29.803 51.475 1.00 1.00 ATOM 171 CA LEU 189 25.804 30.554 47.806 1.00 1.00 ATOM 172 CA SER 190 22.105 30.561 47.337 1.00 1.00 ATOM 173 CA GLU 191 21.708 33.010 50.046 1.00 1.00 ATOM 174 CA SER 192 24.372 35.337 48.695 1.00 1.00 ATOM 175 CA VAL 193 22.798 35.040 45.251 1.00 1.00 ATOM 176 CA PHE 194 19.374 35.976 46.588 1.00 1.00 ATOM 177 CA ARG 195 20.683 39.133 48.147 1.00 1.00 ATOM 178 CA GLN 196 22.510 39.977 44.949 1.00 1.00 ATOM 179 CA LEU 197 19.246 39.525 42.904 1.00 1.00 ATOM 180 CA ASN 198 17.169 41.670 45.356 1.00 1.00 ATOM 181 CA ALA 200 18.993 44.700 43.960 1.00 1.00 ATOM 182 CA ILE 201 16.113 44.357 41.400 1.00 1.00 ATOM 183 CA ALA 202 16.862 47.169 39.049 1.00 1.00 ATOM 184 CA VAL 203 15.290 47.727 35.564 1.00 1.00 ATOM 185 CA SER 204 16.965 49.200 32.532 1.00 1.00 ATOM 186 CA GLN 205 15.079 52.365 32.733 1.00 1.00 ATOM 187 CA MET 206 16.333 53.009 36.298 1.00 1.00 ATOM 188 CA SER 207 20.061 52.969 35.277 1.00 1.00 ATOM 189 CA SER 208 20.225 56.671 34.690 1.00 1.00 ATOM 190 CA GLY 209 23.307 58.037 36.301 1.00 1.00 ATOM 191 CA GLN 210 26.984 57.128 36.614 1.00 1.00 ATOM 192 CA CYS 211 26.795 56.109 40.234 1.00 1.00 ATOM 193 CA ARG 212 24.154 53.503 40.018 1.00 1.00 ATOM 194 CA LEU 213 25.659 52.256 36.715 1.00 1.00 ATOM 195 CA ALA 214 29.103 51.702 38.360 1.00 1.00 ATOM 196 CA PRO 215 27.377 49.637 41.036 1.00 1.00 ATOM 197 CA LEU 216 25.529 47.557 38.463 1.00 1.00 ATOM 198 CA ILE 217 28.744 46.750 36.559 1.00 1.00 ATOM 199 CA GLN 218 30.275 45.328 39.672 1.00 1.00 ATOM 200 CA VAL 219 27.113 43.482 40.585 1.00 1.00 ATOM 201 CA ILE 220 27.227 41.954 37.033 1.00 1.00 ATOM 202 CA GLN 221 30.697 40.648 37.580 1.00 1.00 ATOM 203 CA ASP 222 29.901 39.114 40.902 1.00 1.00 ATOM 204 CA CYS 223 26.679 37.536 39.486 1.00 1.00 ATOM 205 CA SER 224 28.457 35.703 36.700 1.00 1.00 ATOM 206 CA HIS 225 31.150 34.275 38.990 1.00 1.00 ATOM 207 CA LEU 226 28.649 33.402 41.642 1.00 1.00 ATOM 208 CA TYR 227 26.549 31.549 39.090 1.00 1.00 ATOM 209 CA HIS 228 29.489 29.610 37.860 1.00 1.00 ATOM 210 CA TYR 229 30.162 28.499 41.358 1.00 1.00 ATOM 211 CA THR 230 26.581 27.656 42.124 1.00 1.00 ATOM 219 CA VAL 231 24.026 15.263 40.754 1.00 1.00 ATOM 220 CA LYS 232 27.303 13.400 40.373 1.00 1.00 ATOM 221 CA LEU 233 26.960 12.237 44.012 1.00 1.00 ATOM 222 CA MET 234 23.161 12.289 44.474 1.00 1.00 ATOM 223 CA PHE 235 22.600 8.518 43.953 1.00 1.00 ATOM 224 CA LYS 236 25.639 7.049 45.925 1.00 1.00 ATOM 225 CA LEU 237 24.395 8.997 49.060 1.00 1.00 ATOM 226 CA HIS 238 22.336 8.394 52.254 1.00 1.00 ATOM 227 CA SER 239 18.641 8.932 52.271 1.00 1.00 ATOM 228 CA CYS 240 18.271 11.988 54.443 1.00 1.00 ATOM 229 CA LEU 241 21.116 13.548 52.549 1.00 1.00 ATOM 230 CA PRO 242 19.293 12.821 49.269 1.00 1.00 ATOM 231 CA ALA 243 16.578 14.833 50.733 1.00 1.00 ATOM 232 CA ASP 244 18.560 17.932 51.585 1.00 1.00 ATOM 233 CA THR 245 20.010 17.531 48.086 1.00 1.00 ATOM 234 CA LEU 246 16.588 17.485 46.477 1.00 1.00 ATOM 235 CA GLN 247 15.726 20.711 48.223 1.00 1.00 ATOM 236 CA GLY 248 18.789 22.536 46.895 1.00 1.00 ATOM 237 CA HIS 249 18.267 21.366 43.269 1.00 1.00 ATOM 238 CA ARG 250 14.859 22.481 43.817 1.00 1.00 ATOM 239 CA ARG 252 15.740 25.982 44.864 1.00 1.00 ATOM 240 CA PHE 253 18.452 26.231 42.203 1.00 1.00 ATOM 241 CA HIS 254 15.872 25.827 39.489 1.00 1.00 ATOM 242 CA GLU 255 13.811 28.816 40.610 1.00 1.00 ATOM 243 CA GLN 256 16.996 30.894 41.042 1.00 1.00 ATOM 244 CA PHE 257 17.879 30.004 37.423 1.00 1.00 ATOM 245 CA HIS 258 14.846 31.784 36.353 1.00 1.00 ATOM 246 CA SER 259 15.713 34.887 38.270 1.00 1.00 ATOM 247 CA LEU 260 19.257 34.939 36.956 1.00 1.00 ATOM 248 CA ARG 261 18.017 34.893 33.499 1.00 1.00 ATOM 249 CA ASN 262 15.861 37.930 34.169 1.00 1.00 ATOM 250 CA PHE 263 18.888 39.707 35.605 1.00 1.00 ATOM 251 CA PHE 264 21.074 38.958 32.479 1.00 1.00 ATOM 252 CA ARG 265 18.327 40.215 30.308 1.00 1.00 ATOM 253 CA ARG 266 18.600 43.598 32.033 1.00 1.00 ATOM 254 CA ALA 267 22.242 43.482 31.188 1.00 1.00 ATOM 255 CA SER 268 21.443 42.665 27.661 1.00 1.00 ATOM 256 CA ASP 269 18.978 45.614 27.430 1.00 1.00 ATOM 257 CA MET 270 21.558 48.054 28.834 1.00 1.00 ATOM 258 CA LEU 271 24.075 47.109 26.140 1.00 1.00 ATOM 259 CA TYR 272 26.676 44.807 27.800 1.00 1.00 ATOM 260 CA PHE 273 28.906 43.027 25.278 1.00 1.00 ATOM 261 CA LYS 274 27.016 39.824 24.513 1.00 1.00 ATOM 262 CA ARG 275 30.314 37.980 24.564 1.00 1.00 ATOM 263 CA GLN 278 30.590 38.641 28.362 1.00 1.00 ATOM 264 CA ILE 279 27.113 37.257 29.119 1.00 1.00 ATOM 265 CA PRO 280 27.190 33.572 29.942 1.00 1.00 ATOM 266 CA ARG 281 25.213 30.892 28.291 1.00 1.00 ATOM 267 CA LEU 282 22.583 29.352 30.441 1.00 1.00 ATOM 268 CA PRO 283 21.515 26.162 28.540 1.00 1.00 ATOM 269 CA GLU 284 22.779 23.849 31.177 1.00 1.00 ATOM 270 CA GLY 285 21.686 21.241 33.897 1.00 1.00 ATOM 271 CA PRO 286 17.885 21.643 34.687 1.00 1.00 ATOM 272 CA PRO 287 16.075 18.780 33.129 1.00 1.00 ATOM 273 CA ASN 288 16.715 15.946 35.693 1.00 1.00 ATOM 274 CA PHE 289 14.015 16.768 38.269 1.00 1.00 ATOM 275 CA LEU 290 13.351 12.955 38.201 1.00 1.00 ATOM 276 CA ARG 291 15.412 11.850 41.146 1.00 1.00 ATOM 277 CA ALA 292 12.441 13.219 43.114 1.00 1.00 ATOM 278 CA SER 293 11.790 9.477 42.856 1.00 1.00 ATOM 279 CA ALA 294 15.086 7.978 43.855 1.00 1.00 TER END ################################ # # # END # # # ################################