From mailer@bialko.llnl.gov Sun Aug 11 20:12:19 2002 Date: Sun, 11 Aug 2002 20:12:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 11 19:44:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_569139_20626 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175SS007_1 Current information on models submitted in prediction T0175SS007 MODEL_INDEX PIN CODE DATE E-mail T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0175 MODEL_INDEX PIN CODE DATE E-mail T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0175 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: 248 # Number of residues with nonzero confidence: 248 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0175 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-18936.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-8948//target-align-8948.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 344.347 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-18936.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc84.15735/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Thu Aug 8 16:41:38 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-8948//target-align-8948.a2m METHOD METHOD guide seq name: seed-seqs-18936.a2m(1), 248 bases, FA72675 checksum. METHOD ###end 0 MODEL 1 M C 0.586 D C 0.645 I C 0.571 P C 0.54 R C 0.452 I C 0.414 F H 0.396 T C 0.399 I H 0.428 S H 0.425 E H 0.422 S C 0.409 E C 0.45 H C 0.499 R C 0.496 I C 0.511 H C 0.494 N C 0.494 P C 0.461 F H 0.443 T H 0.472 E H 0.704 E H 0.723 K H 0.735 Y H 0.754 A H 0.762 T H 0.758 L H 0.754 G H 0.75 R H 0.729 V H 0.705 L H 0.607 R C 0.596 M C 0.62 K C 0.707 P C 0.693 G C 0.665 T C 0.557 R E 0.573 I E 0.659 L E 0.628 D E 0.493 L C 0.45 G C 0.624 S C 0.686 G C 0.673 S C 0.501 G H 0.554 E H 0.614 M H 0.644 L H 0.677 C H 0.699 T H 0.703 W H 0.713 A H 0.711 R H 0.69 D H 0.624 H H 0.473 G C 0.663 I C 0.645 T E 0.46 G E 0.613 T E 0.635 G E 0.601 I E 0.539 D C 0.448 M C 0.567 S C 0.618 S H 0.723 L H 0.749 F H 0.758 T H 0.79 A H 0.797 Q H 0.81 A H 0.805 K H 0.807 R H 0.788 R H 0.763 A H 0.767 E H 0.751 E H 0.744 L H 0.592 G C 0.658 V C 0.659 S C 0.627 E C 0.589 R C 0.477 V E 0.485 H E 0.583 F E 0.61 I E 0.588 H E 0.53 N E 0.397 D C 0.508 A C 0.465 A C 0.449 G C 0.474 Y C 0.553 V C 0.596 A C 0.618 N C 0.619 E C 0.641 K C 0.611 C C 0.518 D C 0.445 V E 0.587 A E 0.641 A E 0.636 C E 0.578 V C 0.378 G C 0.406 A H 0.425 T H 0.463 W H 0.45 I H 0.409 A C 0.538 G C 0.618 G C 0.615 F H 0.647 A H 0.708 G H 0.735 A H 0.742 E H 0.766 E H 0.775 L H 0.776 L H 0.766 A H 0.751 Q H 0.729 S H 0.681 L H 0.559 K C 0.596 P C 0.607 G C 0.695 G C 0.626 I E 0.499 M E 0.675 L E 0.704 I E 0.671 G E 0.571 E E 0.409 P C 0.492 Y C 0.541 W C 0.553 R C 0.567 Q C 0.549 L C 0.517 P C 0.463 A C 0.434 T H 0.46 E H 0.496 E H 0.513 I H 0.51 A H 0.487 Q H 0.453 A H 0.427 C H 0.411 G C 0.405 V C 0.458 S C 0.551 S C 0.56 T C 0.539 S C 0.529 D C 0.523 F C 0.53 L C 0.574 T C 0.629 L H 0.652 P H 0.712 G H 0.733 L H 0.749 V H 0.765 G H 0.772 A H 0.772 F H 0.769 D H 0.759 D H 0.742 L H 0.589 G C 0.666 Y C 0.641 D E 0.433 V E 0.524 V E 0.52 E E 0.485 M E 0.446 V E 0.379 L C 0.457 A C 0.485 D C 0.537 Q C 0.527 E C 0.549 G C 0.548 W C 0.502 D C 0.472 R H 0.44 Y H 0.452 E H 0.477 A H 0.53 A H 0.576 K H 0.624 W H 0.649 L H 0.668 T H 0.659 M H 0.695 R H 0.708 R H 0.713 W H 0.694 L H 0.689 E H 0.663 A H 0.591 N C 0.453 P C 0.472 D H 0.494 D H 0.572 D H 0.64 F H 0.655 A H 0.69 A H 0.688 E H 0.68 V H 0.657 R H 0.648 A H 0.645 E H 0.64 L H 0.599 N H 0.526 I H 0.473 A H 0.441 P H 0.452 K H 0.493 R H 0.512 Y H 0.499 V H 0.49 T H 0.511 Y H 0.507 A H 0.531 R H 0.55 E H 0.549 C H 0.498 F H 0.409 G C 0.44 W C 0.422 G C 0.376 V C 0.364 F E 0.407 A E 0.477 L E 0.46 I E 0.43 A C 0.391 R C 0.537 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 13:13:08 2002 Date: Thu, 15 Aug 2002 13:13:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0175 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 12:44:53 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_586775_24956 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175TS007_1 Current information on models submitted in prediction T0175TS007 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_1 PIN_586775_24956 6269-7633-6117 08/15/02 12:44:53 casp5@bialko.llnl.gov T0175TS007_4 PIN_577172_24953 6269-7633-6117 08/15/02 12:43:57 casp5@bialko.llnl.gov T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 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 T0175 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_1 PIN_586775_24956 6269-7633-6117 08/15/02 12:44:53 casp5@bialko.llnl.gov T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_4 PIN_577172_24953 6269-7633-6117 08/15/02 12:43:57 casp5@bialko.llnl.gov T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1L1E_A # Loading PARENT structure: 1l1e (chain: A) # Number of residues in PARENT structure: 272 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue S 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue H 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 18 # IMPORTANT NOTE! Not complete main chain atoms for residue P 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue M 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue P 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue E 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue C 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue W 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue H 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue E 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue H 92 # IMPORTANT NOTE! Not complete main chain atoms for residue N 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue C 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue W 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue P 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue W 143 # IMPORTANT NOTE! Not complete main chain atoms for residue R 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue P 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 162 # IMPORTANT NOTE! Not complete main chain atoms for residue D 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue T 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue P 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue G 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue D 175 # IMPORTANT NOTE! Not complete main chain atoms for residue D 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue M 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue W 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue T 202 # IMPORTANT NOTE! Not complete main chain atoms for residue M 203 # IMPORTANT NOTE! Not complete main chain atoms for residue R 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue W 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue N 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue F 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue R 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue E 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue P 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue C 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue G 239 # IMPORTANT NOTE! Not complete main chain atoms for residue W 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue I 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue R 248 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0175 # Total number of residues in target: 248 # Total number of residues in model: 238 # Total number of atoms in model: 238 # Number of atoms with 1.0 occupancy: 238 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 238 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1L1E_A ATOM 27 CA MET 1 4.332 7.832 57.593 1.00 1.00 ATOM 28 CA ASP 2 4.235 4.775 59.868 1.00 1.00 ATOM 29 CA ILE 3 1.264 2.308 59.572 1.00 1.00 ATOM 30 CA PRO 4 -0.953 4.274 61.975 1.00 1.00 ATOM 31 CA ARG 5 -0.425 7.262 59.672 1.00 1.00 ATOM 32 CA ILE 6 0.481 9.600 62.560 1.00 1.00 ATOM 33 CA PHE 7 1.728 12.911 61.168 1.00 1.00 ATOM 34 CA THR 8 3.347 14.752 64.068 1.00 1.00 ATOM 35 CA ILE 9 6.439 14.576 66.301 1.00 1.00 ATOM 36 CA SER 10 6.821 11.056 67.713 1.00 1.00 ATOM 37 CA GLU 11 8.079 10.140 71.199 1.00 1.00 ATOM 38 CA SER 12 11.076 7.811 71.499 1.00 1.00 ATOM 39 CA GLU 13 10.632 6.629 75.104 1.00 1.00 ATOM 40 CA HIS 14 13.228 3.989 74.281 1.00 1.00 ATOM 41 CA ARG 15 15.929 4.948 71.789 1.00 1.00 ATOM 44 CA ILE 16 10.585 1.948 65.677 1.00 1.00 ATOM 45 CA HIS 17 8.680 4.919 64.266 1.00 1.00 ATOM 46 CA ASN 18 5.337 3.161 64.830 1.00 1.00 ATOM 47 CA PRO 19 6.272 2.333 68.439 1.00 1.00 ATOM 48 CA PHE 20 7.375 5.937 69.077 1.00 1.00 ATOM 49 CA THR 21 4.130 7.329 67.626 1.00 1.00 ATOM 50 CA GLU 22 2.126 5.039 69.890 1.00 1.00 ATOM 51 CA GLU 23 4.351 6.236 72.734 1.00 1.00 ATOM 52 CA LYS 24 3.505 9.863 71.901 1.00 1.00 ATOM 53 CA TYR 25 -0.237 9.129 71.787 1.00 1.00 ATOM 54 CA ALA 26 -0.065 7.499 75.256 1.00 1.00 ATOM 55 CA THR 27 2.040 10.399 76.558 1.00 1.00 ATOM 56 CA LEU 28 -0.508 13.000 75.462 1.00 1.00 ATOM 57 CA GLY 29 -3.563 11.027 76.533 1.00 1.00 ATOM 58 CA ARG 30 -2.031 10.021 79.858 1.00 1.00 ATOM 59 CA VAL 31 -2.097 13.714 80.783 1.00 1.00 ATOM 60 CA LEU 32 -5.865 13.974 80.303 1.00 1.00 ATOM 61 CA ARG 33 -6.489 11.530 83.174 1.00 1.00 ATOM 62 CA MET 34 -9.067 9.716 81.033 1.00 1.00 ATOM 63 CA LYS 35 -11.712 7.610 82.777 1.00 1.00 ATOM 64 CA PRO 36 -13.984 5.016 81.109 1.00 1.00 ATOM 65 CA GLY 37 -17.157 6.494 79.687 1.00 1.00 ATOM 66 CA THR 38 -15.819 10.038 79.203 1.00 1.00 ATOM 67 CA ARG 39 -15.971 11.828 75.858 1.00 1.00 ATOM 68 CA ILE 40 -12.756 12.996 74.211 1.00 1.00 ATOM 69 CA LEU 41 -12.533 15.606 71.455 1.00 1.00 ATOM 70 CA ASP 42 -9.607 15.362 69.034 1.00 1.00 ATOM 71 CA LEU 43 -9.063 18.695 67.314 1.00 1.00 ATOM 72 CA GLY 44 -7.357 18.016 63.991 1.00 1.00 ATOM 73 CA SER 45 -7.553 14.230 64.215 1.00 1.00 ATOM 74 CA GLY 46 -5.579 13.341 61.090 1.00 1.00 ATOM 75 CA SER 47 -6.103 9.700 60.154 1.00 1.00 ATOM 76 CA GLY 48 -7.519 8.668 63.526 1.00 1.00 ATOM 77 CA GLU 49 -4.772 6.744 65.389 1.00 1.00 ATOM 78 CA MET 50 -5.221 8.859 68.543 1.00 1.00 ATOM 79 CA LEU 51 -8.963 8.332 68.769 1.00 1.00 ATOM 80 CA CYS 52 -8.584 4.625 68.011 1.00 1.00 ATOM 81 CA THR 53 -6.064 4.337 70.842 1.00 1.00 ATOM 82 CA TRP 54 -8.317 6.342 73.196 1.00 1.00 ATOM 83 CA ALA 55 -11.163 3.888 72.565 1.00 1.00 ATOM 84 CA ARG 56 -9.142 0.668 72.809 1.00 1.00 ATOM 85 CA ASP 57 -6.703 1.487 75.608 1.00 1.00 ATOM 86 CA HIS 58 -8.613 4.050 77.651 1.00 1.00 ATOM 87 CA GLY 59 -12.173 2.963 76.806 1.00 1.00 ATOM 88 CA ILE 60 -13.598 6.439 76.135 1.00 1.00 ATOM 89 CA THR 61 -16.096 7.846 73.631 1.00 1.00 ATOM 90 CA GLY 62 -14.565 10.104 70.972 1.00 1.00 ATOM 91 CA THR 63 -15.232 12.846 68.418 1.00 1.00 ATOM 92 CA GLY 64 -12.701 14.199 65.961 1.00 1.00 ATOM 93 CA ILE 65 -12.595 17.273 63.764 1.00 1.00 ATOM 94 CA ASP 66 -10.556 17.562 60.587 1.00 1.00 ATOM 95 CA MET 67 -10.461 19.819 57.502 1.00 1.00 ATOM 96 CA SER 68 -9.319 16.919 55.329 1.00 1.00 ATOM 97 CA SER 69 -11.757 15.094 53.081 1.00 1.00 ATOM 98 CA LEU 70 -9.513 12.057 52.791 1.00 1.00 ATOM 99 CA PHE 71 -9.048 11.799 56.575 1.00 1.00 ATOM 100 CA THR 72 -12.723 12.198 57.451 1.00 1.00 ATOM 101 CA ALA 73 -13.679 9.381 55.109 1.00 1.00 ATOM 102 CA GLN 74 -10.760 7.229 56.255 1.00 1.00 ATOM 103 CA ALA 75 -11.590 7.748 59.936 1.00 1.00 ATOM 104 CA LYS 76 -15.310 7.022 59.445 1.00 1.00 ATOM 105 CA ARG 77 -14.515 3.786 57.604 1.00 1.00 ATOM 106 CA ARG 78 -12.157 2.965 60.470 1.00 1.00 ATOM 107 CA ALA 79 -14.928 3.689 62.971 1.00 1.00 ATOM 108 CA GLU 80 -17.469 1.575 61.022 1.00 1.00 ATOM 109 CA GLU 81 -15.101 -1.422 61.030 1.00 1.00 ATOM 110 CA LEU 82 -14.415 -1.605 64.760 1.00 1.00 ATOM 111 CA GLY 83 -16.823 -2.865 67.393 1.00 1.00 ATOM 112 CA VAL 84 -17.203 -1.154 70.749 1.00 1.00 ATOM 113 CA SER 85 -20.183 0.118 72.757 1.00 1.00 ATOM 114 CA GLU 86 -18.246 3.390 72.657 1.00 1.00 ATOM 115 CA ARG 87 -19.620 6.263 70.591 1.00 1.00 ATOM 116 CA VAL 88 -17.352 7.419 67.792 1.00 1.00 ATOM 117 CA HIS 89 -17.803 10.460 65.585 1.00 1.00 ATOM 118 CA PHE 90 -15.701 12.244 62.976 1.00 1.00 ATOM 119 CA ILE 91 -16.691 15.596 61.492 1.00 1.00 ATOM 120 CA HIS 92 -15.380 17.454 58.453 1.00 1.00 ATOM 121 CA ASN 93 -15.359 20.931 60.028 1.00 1.00 ATOM 122 CA ASP 94 -13.093 23.336 61.906 1.00 1.00 ATOM 123 CA ALA 95 -12.990 23.830 65.672 1.00 1.00 ATOM 124 CA ALA 96 -14.803 27.113 65.010 1.00 1.00 ATOM 125 CA GLY 97 -18.059 25.241 64.399 1.00 1.00 ATOM 126 CA TYR 98 -17.856 22.766 67.287 1.00 1.00 ATOM 127 CA ASN 101 -19.883 23.666 70.375 1.00 1.00 ATOM 128 CA GLU 102 -20.702 20.468 72.274 1.00 1.00 ATOM 129 CA LYS 103 -19.801 19.678 75.896 1.00 1.00 ATOM 130 CA CYS 104 -16.904 17.190 76.110 1.00 1.00 ATOM 131 CA ASP 105 -14.839 15.999 79.077 1.00 1.00 ATOM 132 CA VAL 106 -11.328 16.412 77.685 1.00 1.00 ATOM 133 CA ALA 107 -9.551 17.658 74.569 1.00 1.00 ATOM 134 CA ALA 108 -6.410 16.676 72.699 1.00 1.00 ATOM 135 CA CYS 109 -4.866 18.581 69.781 1.00 1.00 ATOM 136 CA VAL 110 -1.629 17.366 68.221 1.00 1.00 ATOM 137 CA GLY 111 0.045 19.229 65.383 1.00 1.00 ATOM 138 CA ALA 112 -3.066 21.194 64.416 1.00 1.00 ATOM 139 CA THR 113 -2.409 24.533 66.128 1.00 1.00 ATOM 140 CA TRP 114 0.375 25.406 63.656 1.00 1.00 ATOM 141 CA ILE 115 -2.280 25.707 60.924 1.00 1.00 ATOM 142 CA ALA 116 -4.631 28.089 62.785 1.00 1.00 ATOM 143 CA GLY 117 -2.890 31.432 62.310 1.00 1.00 ATOM 144 CA GLY 118 -2.227 33.913 65.115 1.00 1.00 ATOM 147 CA PHE 119 -5.742 32.170 68.743 1.00 1.00 ATOM 148 CA ALA 120 -8.085 33.949 71.146 1.00 1.00 ATOM 149 CA GLY 121 -11.091 32.341 69.483 1.00 1.00 ATOM 150 CA ALA 122 -9.584 28.849 69.712 1.00 1.00 ATOM 151 CA GLU 123 -8.882 29.149 73.411 1.00 1.00 ATOM 152 CA GLU 124 -12.305 30.684 74.081 1.00 1.00 ATOM 153 CA LEU 125 -14.044 27.809 72.265 1.00 1.00 ATOM 154 CA LEU 126 -11.982 25.020 73.860 1.00 1.00 ATOM 155 CA ALA 127 -12.326 26.578 77.320 1.00 1.00 ATOM 156 CA GLN 128 -16.122 26.911 77.062 1.00 1.00 ATOM 157 CA SER 129 -16.652 23.312 75.918 1.00 1.00 ATOM 158 CA LEU 130 -14.662 21.816 78.796 1.00 1.00 ATOM 159 CA LYS 131 -16.088 21.039 82.254 1.00 1.00 ATOM 160 CA PRO 132 -14.970 22.444 85.616 1.00 1.00 ATOM 161 CA GLY 133 -12.301 19.730 85.910 1.00 1.00 ATOM 162 CA GLY 134 -11.515 19.677 82.217 1.00 1.00 ATOM 163 CA ILE 135 -8.098 19.789 80.636 1.00 1.00 ATOM 164 CA MET 136 -6.725 20.036 77.128 1.00 1.00 ATOM 165 CA LEU 137 -3.407 18.715 75.865 1.00 1.00 ATOM 166 CA ILE 138 -2.091 21.132 73.255 1.00 1.00 ATOM 167 CA GLY 139 0.882 19.767 71.293 1.00 1.00 ATOM 168 CA GLU 140 2.488 22.195 68.851 1.00 1.00 ATOM 169 CA PRO 141 5.705 23.414 67.268 1.00 1.00 ATOM 170 CA TYR 142 7.007 26.533 69.059 1.00 1.00 ATOM 171 CA TRP 143 9.797 29.062 68.629 1.00 1.00 ATOM 172 CA ARG 144 12.543 28.879 71.294 1.00 1.00 ATOM 173 CA GLN 145 12.544 31.555 73.978 1.00 1.00 ATOM 174 CA LEU 146 15.232 34.149 74.491 1.00 1.00 ATOM 175 CA PRO 147 18.198 32.069 75.436 1.00 1.00 ATOM 176 CA ALA 148 20.210 33.418 72.573 1.00 1.00 ATOM 177 CA THR 149 22.283 35.040 75.351 1.00 1.00 ATOM 178 CA GLU 150 25.415 33.153 76.462 1.00 1.00 ATOM 179 CA GLU 151 23.750 30.660 74.220 1.00 1.00 ATOM 193 CA ILE 152 9.166 31.361 54.429 1.00 1.00 ATOM 194 CA ALA 153 9.287 28.069 52.540 1.00 1.00 ATOM 195 CA GLN 154 7.852 26.229 55.549 1.00 1.00 ATOM 196 CA ALA 155 5.081 28.739 56.179 1.00 1.00 ATOM 197 CA CYS 156 4.148 28.832 52.502 1.00 1.00 ATOM 198 CA GLY 157 4.325 25.154 51.555 1.00 1.00 ATOM 199 CA VAL 158 3.936 23.261 54.848 1.00 1.00 ATOM 200 CA SER 159 1.762 25.576 56.948 1.00 1.00 ATOM 201 CA SER 160 -0.172 27.752 54.429 1.00 1.00 ATOM 202 CA THR 161 -2.022 30.393 56.429 1.00 1.00 ATOM 203 CA SER 162 -0.416 28.911 59.505 1.00 1.00 ATOM 204 CA ASP 163 1.934 30.299 62.131 1.00 1.00 ATOM 205 CA PHE 164 4.585 29.136 64.610 1.00 1.00 ATOM 206 CA LEU 165 3.908 30.604 68.058 1.00 1.00 ATOM 207 CA THR 166 6.362 31.675 70.721 1.00 1.00 ATOM 208 CA LEU 167 5.967 30.093 74.155 1.00 1.00 ATOM 209 CA PRO 168 4.942 33.452 75.734 1.00 1.00 ATOM 210 CA GLY 169 2.150 33.742 73.137 1.00 1.00 ATOM 211 CA LEU 170 0.669 30.316 73.882 1.00 1.00 ATOM 212 CA VAL 171 0.695 31.269 77.561 1.00 1.00 ATOM 213 CA GLY 172 -0.711 34.665 76.598 1.00 1.00 ATOM 214 CA ALA 173 -3.924 33.535 74.912 1.00 1.00 ATOM 215 CA PHE 174 -4.508 30.393 76.932 1.00 1.00 ATOM 216 CA ASP 175 -4.391 32.195 80.270 1.00 1.00 ATOM 217 CA ASP 176 -6.498 35.090 78.973 1.00 1.00 ATOM 218 CA LEU 177 -9.564 32.857 78.653 1.00 1.00 ATOM 219 CA GLY 178 -9.132 31.290 82.078 1.00 1.00 ATOM 220 CA TYR 179 -6.743 28.413 81.357 1.00 1.00 ATOM 221 CA ASP 180 -4.001 27.554 83.791 1.00 1.00 ATOM 222 CA VAL 181 -0.886 26.091 82.160 1.00 1.00 ATOM 223 CA VAL 182 -0.086 23.353 84.669 1.00 1.00 ATOM 224 CA GLU 183 2.576 21.499 82.667 1.00 1.00 ATOM 225 CA MET 184 4.905 21.882 79.685 1.00 1.00 ATOM 226 CA VAL 185 7.177 19.295 78.090 1.00 1.00 ATOM 227 CA LEU 186 9.596 19.851 75.230 1.00 1.00 ATOM 228 CA ALA 187 10.236 17.130 72.638 1.00 1.00 ATOM 229 CA GLU 196 12.805 18.984 70.550 1.00 1.00 ATOM 230 CA ALA 197 15.155 16.077 69.778 1.00 1.00 ATOM 231 CA ALA 198 12.313 13.612 69.260 1.00 1.00 ATOM 232 CA LYS 199 11.104 15.702 66.340 1.00 1.00 ATOM 233 CA TRP 200 14.545 15.757 64.728 1.00 1.00 ATOM 234 CA LEU 201 14.598 11.946 64.690 1.00 1.00 ATOM 235 CA THR 202 10.991 11.708 63.501 1.00 1.00 ATOM 236 CA MET 203 11.827 13.971 60.565 1.00 1.00 ATOM 237 CA ARG 204 14.979 11.961 59.803 1.00 1.00 ATOM 238 CA ARG 205 12.939 8.778 59.692 1.00 1.00 ATOM 239 CA TRP 206 10.210 10.251 57.480 1.00 1.00 ATOM 240 CA LEU 207 12.931 11.444 55.107 1.00 1.00 ATOM 241 CA GLU 208 14.694 8.060 54.979 1.00 1.00 ATOM 242 CA ALA 209 11.392 6.336 54.203 1.00 1.00 ATOM 243 CA ASN 210 10.367 8.826 51.502 1.00 1.00 ATOM 244 CA PRO 211 13.798 8.530 49.900 1.00 1.00 ATOM 245 CA ASP 212 13.648 4.732 49.786 1.00 1.00 ATOM 246 CA ASP 213 10.263 5.057 48.059 1.00 1.00 ATOM 247 CA ASP 214 11.399 7.756 45.625 1.00 1.00 ATOM 249 CA PHE 215 6.842 5.382 43.595 1.00 1.00 ATOM 250 CA ALA 216 6.521 8.883 45.070 1.00 1.00 ATOM 251 CA ALA 217 7.461 10.506 41.766 1.00 1.00 ATOM 252 CA GLU 218 5.138 8.180 39.845 1.00 1.00 ATOM 253 CA VAL 219 2.074 9.040 41.945 1.00 1.00 ATOM 254 CA ARG 220 2.820 12.773 42.187 1.00 1.00 ATOM 255 CA ALA 221 6.029 14.293 40.768 1.00 1.00 ATOM 256 CA GLU 222 9.696 15.106 41.276 1.00 1.00 ATOM 257 CA LEU 223 8.599 18.601 42.310 1.00 1.00 ATOM 258 CA ASN 224 6.450 17.320 45.168 1.00 1.00 ATOM 259 CA ILE 225 9.093 14.783 46.168 1.00 1.00 ATOM 260 CA ALA 226 11.927 17.321 46.312 1.00 1.00 ATOM 261 CA PRO 227 9.511 19.667 48.065 1.00 1.00 ATOM 262 CA LYS 228 8.998 17.201 50.900 1.00 1.00 ATOM 263 CA ARG 229 12.580 15.932 51.106 1.00 1.00 ATOM 264 CA TYR 230 13.708 19.570 51.443 1.00 1.00 ATOM 265 CA VAL 231 11.148 20.054 54.182 1.00 1.00 ATOM 266 CA THR 232 12.011 16.927 56.143 1.00 1.00 ATOM 267 CA TYR 233 15.803 17.161 55.933 1.00 1.00 ATOM 268 CA ALA 234 15.815 20.905 56.516 1.00 1.00 ATOM 269 CA ARG 235 13.545 20.873 59.562 1.00 1.00 ATOM 270 CA GLU 236 15.442 17.936 61.044 1.00 1.00 ATOM 271 CA CYS 237 18.516 20.210 61.122 1.00 1.00 ATOM 272 CA PHE 238 16.597 23.114 62.655 1.00 1.00 ATOM 273 CA GLY 239 15.148 21.299 65.658 1.00 1.00 ATOM 274 CA TRP 240 18.463 19.509 66.151 1.00 1.00 ATOM 275 CA GLY 241 20.323 22.836 66.216 1.00 1.00 ATOM 276 CA VAL 242 17.656 24.358 68.457 1.00 1.00 ATOM 277 CA PHE 243 16.109 26.866 66.026 1.00 1.00 ATOM 278 CA ALA 244 12.650 25.473 66.741 1.00 1.00 ATOM 279 CA LEU 245 11.009 23.283 69.401 1.00 1.00 ATOM 280 CA ILE 246 7.889 21.162 70.005 1.00 1.00 ATOM 281 CA ALA 247 6.002 21.511 73.284 1.00 1.00 ATOM 282 CA ARG 248 3.067 19.760 74.914 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 13:07:08 2002 Date: Thu, 15 Aug 2002 13:07:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0175 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 12:39:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_531490_24939 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175TS007_2 Current information on models submitted in prediction T0175TS007 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 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 T0175 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 casp5@bialko.llnl.gov T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1L1E_B # Loading PARENT structure: 1l1e (chain: B) # Number of residues in PARENT structure: 260 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue S 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue H 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 18 # IMPORTANT NOTE! Not complete main chain atoms for residue P 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue M 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue P 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue E 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue C 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue W 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue H 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue E 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue H 92 # IMPORTANT NOTE! Not complete main chain atoms for residue N 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue C 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue W 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue P 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue W 143 # IMPORTANT NOTE! Not complete main chain atoms for residue R 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue P 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 162 # IMPORTANT NOTE! Not complete main chain atoms for residue D 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue T 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue P 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue G 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue D 175 # IMPORTANT NOTE! Not complete main chain atoms for residue D 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue M 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue W 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue T 202 # IMPORTANT NOTE! Not complete main chain atoms for residue M 203 # IMPORTANT NOTE! Not complete main chain atoms for residue R 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue W 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue N 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue F 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue R 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue E 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue P 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue C 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue G 239 # IMPORTANT NOTE! Not complete main chain atoms for residue W 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue I 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue R 248 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0175 # Total number of residues in target: 248 # Total number of residues in model: 234 # Total number of atoms in model: 234 # Number of atoms with 1.0 occupancy: 234 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 234 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1L1E_B ATOM 27 CA MET 1 0.037 9.935 106.814 1.00 1.00 ATOM 28 CA ASP 2 -1.613 7.340 104.573 1.00 1.00 ATOM 29 CA ILE 3 -0.685 3.649 105.090 1.00 1.00 ATOM 30 CA PRO 4 2.127 3.861 102.507 1.00 1.00 ATOM 31 CA ARG 5 3.519 6.625 104.720 1.00 1.00 ATOM 32 CA ILE 6 4.214 8.848 101.710 1.00 1.00 ATOM 33 CA PHE 7 5.332 12.212 103.106 1.00 1.00 ATOM 34 CA THR 8 4.980 14.611 100.181 1.00 1.00 ATOM 35 CA ILE 9 2.400 16.357 97.964 1.00 1.00 ATOM 36 CA SER 10 -0.187 13.896 96.686 1.00 1.00 ATOM 37 CA GLU 11 -1.696 13.994 93.195 1.00 1.00 ATOM 38 CA SER 12 -5.507 14.171 93.053 1.00 1.00 ATOM 39 CA GLU 13 -6.512 13.073 89.552 1.00 1.00 ATOM 40 CA HIS 14 -10.145 12.121 90.229 1.00 1.00 ATOM 41 CA ARG 15 -10.695 14.614 93.062 1.00 1.00 ATOM 44 CA ILE 16 -8.538 8.792 99.105 1.00 1.00 ATOM 45 CA HIS 17 -5.220 10.129 100.368 1.00 1.00 ATOM 46 CA ASN 18 -3.600 6.758 99.585 1.00 1.00 ATOM 47 CA PRO 19 -4.799 6.519 95.978 1.00 1.00 ATOM 48 CA PHE 20 -3.565 10.069 95.411 1.00 1.00 ATOM 49 CA THR 21 -0.113 9.238 96.793 1.00 1.00 ATOM 50 CA GLU 22 -0.019 6.174 94.560 1.00 1.00 ATOM 51 CA GLU 23 -1.131 8.442 91.720 1.00 1.00 ATOM 52 CA LYS 24 1.734 10.839 92.506 1.00 1.00 ATOM 53 CA TYR 25 4.394 8.109 92.571 1.00 1.00 ATOM 54 CA ALA 26 3.216 6.842 89.171 1.00 1.00 ATOM 55 CA THR 27 3.244 10.385 87.758 1.00 1.00 ATOM 56 CA LEU 28 6.864 10.824 88.823 1.00 1.00 ATOM 57 CA GLY 29 8.151 7.399 87.709 1.00 1.00 ATOM 58 CA ARG 30 6.214 7.561 84.448 1.00 1.00 ATOM 59 CA VAL 31 8.434 10.481 83.483 1.00 1.00 ATOM 60 CA LEU 32 11.672 8.587 84.073 1.00 1.00 ATOM 61 CA ARG 33 10.883 6.149 81.250 1.00 1.00 ATOM 62 CA MET 34 11.917 3.094 83.247 1.00 1.00 ATOM 63 CA LYS 35 13.384 0.049 81.512 1.00 1.00 ATOM 64 CA PRO 36 13.883 -3.116 83.581 1.00 1.00 ATOM 65 CA GLY 37 17.423 -3.859 84.705 1.00 1.00 ATOM 66 CA THR 38 18.186 -0.195 85.274 1.00 1.00 ATOM 67 CA ARG 39 19.256 1.042 88.684 1.00 1.00 ATOM 68 CA ILE 40 16.931 3.688 90.115 1.00 1.00 ATOM 69 CA LEU 41 18.309 5.969 92.824 1.00 1.00 ATOM 70 CA ASP 42 15.811 7.525 95.258 1.00 1.00 ATOM 71 CA LEU 43 17.280 10.503 97.091 1.00 1.00 ATOM 72 CA GLY 44 15.299 10.906 100.307 1.00 1.00 ATOM 73 CA SER 45 13.424 7.623 99.984 1.00 1.00 ATOM 74 CA GLY 46 11.309 8.184 103.075 1.00 1.00 ATOM 75 CA SER 47 9.565 4.973 104.066 1.00 1.00 ATOM 76 CA GLY 48 10.174 3.247 100.720 1.00 1.00 ATOM 77 CA GLU 49 6.785 3.500 98.962 1.00 1.00 ATOM 78 CA MET 50 8.290 5.045 95.825 1.00 1.00 ATOM 79 CA LEU 51 11.055 2.448 95.394 1.00 1.00 ATOM 80 CA CYS 52 8.604 -0.348 96.142 1.00 1.00 ATOM 81 CA THR 53 6.351 0.870 93.341 1.00 1.00 ATOM 82 CA TRP 54 9.315 1.063 90.939 1.00 1.00 ATOM 83 CA ALA 55 9.941 -2.650 91.466 1.00 1.00 ATOM 84 CA ARG 56 6.402 -3.976 91.207 1.00 1.00 ATOM 85 CA ASP 57 5.697 -1.919 88.081 1.00 1.00 ATOM 86 CA HIS 58 8.993 -1.162 86.341 1.00 1.00 ATOM 87 CA GLY 59 11.217 -4.071 87.430 1.00 1.00 ATOM 88 CA ILE 60 14.271 -1.959 88.181 1.00 1.00 ATOM 89 CA THR 61 16.981 -2.245 90.807 1.00 1.00 ATOM 90 CA GLY 62 16.778 0.332 93.595 1.00 1.00 ATOM 91 CA THR 63 19.053 2.356 95.850 1.00 1.00 ATOM 92 CA GLY 64 17.489 4.661 98.410 1.00 1.00 ATOM 93 CA ILE 65 19.244 7.229 100.551 1.00 1.00 ATOM 94 CA ASP 66 17.718 8.606 103.755 1.00 1.00 ATOM 95 CA MET 67 19.000 10.297 106.902 1.00 1.00 ATOM 96 CA SER 68 16.394 8.580 109.089 1.00 1.00 ATOM 97 CA SER 69 17.496 5.408 110.841 1.00 1.00 ATOM 98 CA LEU 70 13.827 4.480 111.328 1.00 1.00 ATOM 99 CA PHE 71 13.070 4.727 107.612 1.00 1.00 ATOM 100 CA THR 72 16.202 2.742 106.760 1.00 1.00 ATOM 101 CA ALA 73 15.008 -0.104 108.971 1.00 1.00 ATOM 102 CA GLN 74 11.401 0.158 107.817 1.00 1.00 ATOM 103 CA ALA 75 12.450 0.086 104.167 1.00 1.00 ATOM 104 CA LYS 76 14.827 -2.782 104.915 1.00 1.00 ATOM 105 CA ARG 77 12.189 -5.104 106.383 1.00 1.00 ATOM 106 CA ARG 78 9.784 -4.029 103.634 1.00 1.00 ATOM 107 CA ALA 79 12.336 -5.278 101.111 1.00 1.00 ATOM 108 CA GLU 80 12.792 -8.632 102.887 1.00 1.00 ATOM 109 CA GLU 81 9.182 -9.608 102.210 1.00 1.00 ATOM 110 CA LEU 82 9.038 -8.851 98.480 1.00 1.00 ATOM 111 CA GLY 83 8.852 -11.216 95.501 1.00 1.00 ATOM 112 CA VAL 84 11.721 -10.200 93.185 1.00 1.00 ATOM 113 CA SER 85 15.338 -10.819 92.035 1.00 1.00 ATOM 114 CA GLU 86 16.265 -7.121 91.767 1.00 1.00 ATOM 115 CA ARG 87 18.896 -5.505 93.986 1.00 1.00 ATOM 116 CA VAL 88 17.135 -3.303 96.539 1.00 1.00 ATOM 117 CA HIS 89 19.128 -1.411 99.134 1.00 1.00 ATOM 118 CA PHE 90 18.787 1.538 101.502 1.00 1.00 ATOM 119 CA ILE 91 21.787 3.648 102.541 1.00 1.00 ATOM 120 CA HIS 92 21.938 5.718 105.729 1.00 1.00 ATOM 121 CA ASN 93 23.849 8.623 104.170 1.00 1.00 ATOM 122 CA ASP 94 23.424 11.882 102.303 1.00 1.00 ATOM 123 CA ALA 95 23.705 12.366 98.564 1.00 1.00 ATOM 124 CA ALA 96 26.886 14.283 99.380 1.00 1.00 ATOM 125 CA GLY 97 28.851 11.079 99.917 1.00 1.00 ATOM 126 CA TYR 98 27.162 9.075 97.172 1.00 1.00 ATOM 127 CA ASN 101 29.744 7.737 94.705 1.00 1.00 ATOM 128 CA GLU 102 28.084 5.384 92.201 1.00 1.00 ATOM 129 CA LYS 103 26.481 5.298 88.723 1.00 1.00 ATOM 130 CA CYS 104 22.771 4.723 88.134 1.00 1.00 ATOM 131 CA ASP 105 20.393 5.105 85.192 1.00 1.00 ATOM 132 CA VAL 106 17.720 7.377 86.646 1.00 1.00 ATOM 133 CA ALA 107 17.302 9.550 89.716 1.00 1.00 ATOM 134 CA ALA 108 14.161 10.447 91.631 1.00 1.00 ATOM 135 CA CYS 109 13.912 12.872 94.525 1.00 1.00 ATOM 136 CA VAL 110 10.489 13.737 95.948 1.00 1.00 ATOM 137 CA GLY 111 10.197 16.199 98.823 1.00 1.00 ATOM 138 CA ALA 112 13.867 16.021 99.881 1.00 1.00 ATOM 139 CA THR 113 15.270 19.075 98.073 1.00 1.00 ATOM 140 CA TRP 114 13.679 21.495 100.562 1.00 1.00 ATOM 141 CA ILE 115 15.934 20.012 103.257 1.00 1.00 ATOM 142 CA ALA 116 19.201 20.587 101.358 1.00 1.00 ATOM 143 CA GLY 117 19.812 24.319 101.612 1.00 1.00 ATOM 144 CA GLY 118 20.768 26.839 98.930 1.00 1.00 ATOM 147 CA PHE 119 22.588 23.514 95.239 1.00 1.00 ATOM 148 CA ALA 120 25.473 23.691 92.778 1.00 1.00 ATOM 149 CA GLY 121 26.970 20.717 94.606 1.00 1.00 ATOM 150 CA ALA 122 23.729 18.700 94.376 1.00 1.00 ATOM 151 CA GLU 123 23.103 19.080 90.631 1.00 1.00 ATOM 152 CA GLU 124 26.837 18.647 90.080 1.00 1.00 ATOM 153 CA LEU 125 26.476 15.361 91.971 1.00 1.00 ATOM 154 CA LEU 126 23.433 13.880 90.218 1.00 1.00 ATOM 155 CA ALA 127 24.473 15.156 86.790 1.00 1.00 ATOM 156 CA GLN 128 27.483 12.818 86.761 1.00 1.00 ATOM 157 CA SER 129 25.881 9.652 88.133 1.00 1.00 ATOM 158 CA LEU 130 23.613 9.537 85.094 1.00 1.00 ATOM 159 CA LYS 131 24.644 8.047 81.696 1.00 1.00 ATOM 160 CA PRO 132 23.768 9.444 78.256 1.00 1.00 ATOM 161 CA GLY 133 19.982 9.041 78.210 1.00 1.00 ATOM 162 CA GLY 134 19.652 9.515 81.945 1.00 1.00 ATOM 163 CA ILE 135 16.900 11.541 83.564 1.00 1.00 ATOM 164 CA MET 136 16.086 12.895 87.007 1.00 1.00 ATOM 165 CA LEU 137 12.648 13.807 88.295 1.00 1.00 ATOM 166 CA ILE 138 13.038 16.490 90.964 1.00 1.00 ATOM 167 CA GLY 139 9.846 17.225 92.941 1.00 1.00 ATOM 168 CA GLU 140 9.945 20.077 95.460 1.00 1.00 ATOM 169 CA PRO 141 8.130 23.079 96.866 1.00 1.00 ATOM 170 CA TYR 142 9.045 26.298 95.020 1.00 1.00 ATOM 171 CA TRP 143 8.575 30.071 95.177 1.00 1.00 ATOM 172 CA ARG 144 6.936 31.507 92.023 1.00 1.00 ATOM 173 CA GLN 145 8.298 34.765 90.604 1.00 1.00 ATOM 174 CA LEU 146 7.641 37.664 88.189 1.00 1.00 ATOM 175 CA PRO 147 4.523 35.858 86.974 1.00 1.00 ATOM 193 CA ILE 152 11.511 31.038 109.424 1.00 1.00 ATOM 194 CA ALA 153 9.248 28.822 111.526 1.00 1.00 ATOM 195 CA GLN 154 9.108 26.280 108.696 1.00 1.00 ATOM 196 CA ALA 155 12.839 26.547 108.016 1.00 1.00 ATOM 197 CA CYS 156 13.634 26.522 111.732 1.00 1.00 ATOM 198 CA GLY 157 11.245 23.765 112.812 1.00 1.00 ATOM 199 CA VAL 158 10.006 21.786 109.797 1.00 1.00 ATOM 200 CA SER 159 12.936 22.098 107.377 1.00 1.00 ATOM 201 CA SER 160 15.996 22.795 109.593 1.00 1.00 ATOM 202 CA THR 161 18.851 24.245 107.555 1.00 1.00 ATOM 203 CA SER 162 16.708 23.783 104.466 1.00 1.00 ATOM 204 CA ASP 163 15.549 26.246 101.830 1.00 1.00 ATOM 205 CA PHE 164 12.629 26.866 99.453 1.00 1.00 ATOM 206 CA LEU 165 13.986 27.528 95.926 1.00 1.00 ATOM 207 CA THR 166 12.616 29.882 93.278 1.00 1.00 ATOM 208 CA LEU 167 11.748 28.501 89.839 1.00 1.00 ATOM 209 CA PRO 168 14.672 30.409 88.210 1.00 1.00 ATOM 210 CA GLY 169 17.182 29.175 90.778 1.00 1.00 ATOM 211 CA LEU 170 16.364 25.584 89.835 1.00 1.00 ATOM 212 CA VAL 171 16.696 26.337 86.117 1.00 1.00 ATOM 213 CA GLY 172 19.984 28.181 86.642 1.00 1.00 ATOM 214 CA ALA 173 21.810 25.645 88.809 1.00 1.00 ATOM 215 CA PHE 174 20.651 22.608 86.841 1.00 1.00 ATOM 216 CA ASP 175 21.690 24.203 83.554 1.00 1.00 ATOM 217 CA ASP 176 25.131 25.221 84.820 1.00 1.00 ATOM 218 CA LEU 177 25.950 21.567 85.444 1.00 1.00 ATOM 219 CA GLY 178 24.817 20.717 81.926 1.00 1.00 ATOM 220 CA TYR 179 21.260 19.543 82.635 1.00 1.00 ATOM 221 CA ASP 180 18.266 20.121 80.378 1.00 1.00 ATOM 222 CA VAL 181 14.905 20.934 81.952 1.00 1.00 ATOM 223 CA VAL 182 12.659 19.201 79.435 1.00 1.00 ATOM 224 CA GLU 183 9.470 19.445 81.503 1.00 1.00 ATOM 225 CA MET 184 7.895 21.268 84.438 1.00 1.00 ATOM 226 CA VAL 185 4.569 20.477 86.122 1.00 1.00 ATOM 227 CA LEU 186 2.814 22.335 88.961 1.00 1.00 ATOM 228 CA ALA 187 0.893 20.532 91.738 1.00 1.00 ATOM 229 CA GLU 196 -0.160 23.646 93.651 1.00 1.00 ATOM 230 CA ALA 197 -3.763 22.880 94.643 1.00 1.00 ATOM 231 CA ALA 198 -2.887 19.228 95.133 1.00 1.00 ATOM 232 CA LYS 199 -0.581 20.154 97.989 1.00 1.00 ATOM 233 CA TRP 200 -3.072 22.459 99.734 1.00 1.00 ATOM 234 CA LEU 201 -5.414 19.467 99.647 1.00 1.00 ATOM 235 CA THR 202 -2.763 17.019 100.893 1.00 1.00 ATOM 236 CA MET 203 -1.924 19.273 103.857 1.00 1.00 ATOM 237 CA ARG 204 -5.626 19.533 104.723 1.00 1.00 ATOM 238 CA ARG 205 -6.088 15.764 104.722 1.00 1.00 ATOM 239 CA TRP 206 -2.987 15.403 106.905 1.00 1.00 ATOM 240 CA LEU 207 -4.173 18.153 109.258 1.00 1.00 ATOM 241 CA GLU 208 -7.626 16.611 109.481 1.00 1.00 ATOM 242 CA ALA 209 -6.259 13.165 110.381 1.00 1.00 ATOM 243 CA ASN 210 -3.811 14.476 112.974 1.00 1.00 ATOM 244 CA PRO 211 -6.468 16.510 114.778 1.00 1.00 ATOM 245 CA ASP 212 -8.709 13.435 114.803 1.00 1.00 ATOM 246 CA ASP 213 -5.857 11.544 116.481 1.00 1.00 ATOM 247 CA ASP 214 -4.910 14.423 118.778 1.00 1.00 ATOM 249 CA PHE 215 -2.563 9.720 120.930 1.00 1.00 ATOM 250 CA ALA 216 -0.301 12.208 119.155 1.00 1.00 ATOM 251 CA ALA 217 0.048 14.148 122.392 1.00 1.00 ATOM 252 CA GLU 218 0.468 10.912 124.383 1.00 1.00 ATOM 253 CA VAL 219 3.302 9.564 122.201 1.00 1.00 ATOM 254 CA ARG 220 5.055 12.922 121.823 1.00 1.00 ATOM 255 CA ALA 221 3.641 16.165 123.218 1.00 1.00 ATOM 256 CA GLU 222 1.181 19.045 122.907 1.00 1.00 ATOM 257 CA LEU 223 4.050 21.200 121.699 1.00 1.00 ATOM 258 CA ASN 224 4.800 18.747 118.884 1.00 1.00 ATOM 259 CA ILE 225 1.104 18.350 118.080 1.00 1.00 ATOM 260 CA ALA 226 0.599 22.114 117.853 1.00 1.00 ATOM 261 CA PRO 227 3.834 22.570 115.913 1.00 1.00 ATOM 262 CA LYS 228 2.633 20.268 113.163 1.00 1.00 ATOM 263 CA ARG 229 -0.939 21.570 113.149 1.00 1.00 ATOM 264 CA TYR 230 0.535 25.056 112.800 1.00 1.00 ATOM 265 CA VAL 231 2.545 23.822 109.811 1.00 1.00 ATOM 266 CA THR 232 -0.170 21.751 108.171 1.00 1.00 ATOM 267 CA TYR 233 -3.047 24.161 108.667 1.00 1.00 ATOM 268 CA ALA 234 -0.741 27.030 107.790 1.00 1.00 ATOM 269 CA ARG 235 1.044 25.980 104.627 1.00 1.00 ATOM 270 CA GLU 236 -2.303 24.704 103.356 1.00 1.00 ATOM 271 CA CYS 237 -3.580 28.276 103.180 1.00 1.00 ATOM 272 CA PHE 238 -0.274 29.457 101.733 1.00 1.00 ATOM 273 CA GLY 239 -0.346 27.454 98.512 1.00 1.00 ATOM 274 CA TRP 240 -3.564 29.413 97.944 1.00 1.00 ATOM 275 CA GLY 241 -2.326 33.002 97.929 1.00 1.00 ATOM 276 CA VAL 242 0.608 32.092 95.733 1.00 1.00 ATOM 277 CA PHE 243 4.219 32.620 96.803 1.00 1.00 ATOM 278 CA ALA 244 4.561 28.842 97.091 1.00 1.00 ATOM 279 CA LEU 245 3.913 25.962 94.710 1.00 1.00 ATOM 280 CA ILE 246 4.962 22.327 94.194 1.00 1.00 ATOM 281 CA ALA 247 6.646 21.473 90.897 1.00 1.00 ATOM 282 CA ARG 248 8.171 18.394 89.340 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 13:08:40 2002 Date: Thu, 15 Aug 2002 13:08:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0175 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 12:40:50 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_546464_24945 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175TS007_3 Current information on models submitted in prediction T0175TS007 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 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 T0175 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1KP9_A # Loading PARENT structure: 1kp9 (chain: A) # Number of residues in PARENT structure: 270 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue S 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue H 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 18 # IMPORTANT NOTE! Not complete main chain atoms for residue P 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue M 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue P 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue E 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue C 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue W 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue H 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue E 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue H 92 # IMPORTANT NOTE! Not complete main chain atoms for residue N 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue C 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue W 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue P 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue W 143 # IMPORTANT NOTE! Not complete main chain atoms for residue R 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue P 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 162 # IMPORTANT NOTE! Not complete main chain atoms for residue D 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue T 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue P 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue G 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue D 175 # IMPORTANT NOTE! Not complete main chain atoms for residue D 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue M 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue W 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue T 202 # IMPORTANT NOTE! Not complete main chain atoms for residue M 203 # IMPORTANT NOTE! Not complete main chain atoms for residue R 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue W 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue N 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue F 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue R 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue E 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue P 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue C 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue G 239 # IMPORTANT NOTE! Not complete main chain atoms for residue W 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue I 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue R 248 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0175 # Total number of residues in target: 248 # Total number of residues in model: 238 # Total number of atoms in model: 238 # Number of atoms with 1.0 occupancy: 238 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 238 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1KP9_A ATOM 27 CA MET 1 -7.199 -6.796 31.855 1.00 1.00 ATOM 28 CA ASP 2 -6.496 -6.121 28.190 1.00 1.00 ATOM 29 CA ILE 3 -4.858 -8.804 25.976 1.00 1.00 ATOM 30 CA PRO 4 -1.354 -7.723 27.052 1.00 1.00 ATOM 31 CA ARG 5 -2.394 -8.343 30.648 1.00 1.00 ATOM 32 CA ILE 6 -0.963 -4.972 31.715 1.00 1.00 ATOM 33 CA PHE 7 -1.873 -4.501 35.384 1.00 1.00 ATOM 34 CA THR 8 -0.906 -0.828 35.593 1.00 1.00 ATOM 35 CA ILE 9 -2.013 2.657 34.539 1.00 1.00 ATOM 36 CA SER 10 -2.953 2.881 30.860 1.00 1.00 ATOM 37 CA GLU 11 -2.141 6.037 28.900 1.00 1.00 ATOM 38 CA SER 12 -5.060 7.467 26.935 1.00 1.00 ATOM 39 CA GLU 13 -2.963 9.732 24.703 1.00 1.00 ATOM 40 CA HIS 14 -6.243 9.892 22.791 1.00 1.00 ATOM 41 CA ARG 15 -9.620 9.850 24.533 1.00 1.00 ATOM 44 CA ILE 16 -9.055 1.306 23.876 1.00 1.00 ATOM 45 CA HIS 17 -7.656 -0.080 27.133 1.00 1.00 ATOM 46 CA ASN 18 -5.153 -2.018 25.037 1.00 1.00 ATOM 47 CA PRO 19 -4.113 0.934 22.887 1.00 1.00 ATOM 48 CA PHE 20 -3.708 3.010 26.038 1.00 1.00 ATOM 49 CA THR 21 -1.461 0.339 27.548 1.00 1.00 ATOM 50 CA GLU 22 0.633 0.385 24.384 1.00 1.00 ATOM 51 CA GLU 23 0.855 4.184 24.462 1.00 1.00 ATOM 52 CA LYS 24 1.796 4.001 28.134 1.00 1.00 ATOM 53 CA TYR 25 4.608 1.638 27.299 1.00 1.00 ATOM 54 CA ALA 26 5.670 3.909 24.431 1.00 1.00 ATOM 55 CA THR 27 5.452 6.937 26.718 1.00 1.00 ATOM 56 CA LEU 28 7.897 5.195 29.013 1.00 1.00 ATOM 57 CA GLY 29 10.248 3.898 26.288 1.00 1.00 ATOM 58 CA ARG 30 10.100 7.096 24.252 1.00 1.00 ATOM 59 CA VAL 31 11.873 8.742 27.192 1.00 1.00 ATOM 60 CA LEU 32 14.993 6.563 27.353 1.00 1.00 ATOM 61 CA ARG 33 16.679 7.775 24.190 1.00 1.00 ATOM 62 CA MET 34 17.143 4.155 23.088 1.00 1.00 ATOM 63 CA LYS 35 19.595 3.547 20.250 1.00 1.00 ATOM 64 CA PRO 36 19.750 0.407 18.052 1.00 1.00 ATOM 65 CA GLY 37 22.032 -2.142 19.685 1.00 1.00 ATOM 66 CA THR 38 21.529 -0.872 23.234 1.00 1.00 ATOM 67 CA ARG 39 20.548 -3.345 25.937 1.00 1.00 ATOM 68 CA ILE 40 17.358 -2.531 27.842 1.00 1.00 ATOM 69 CA LEU 41 16.513 -3.884 31.266 1.00 1.00 ATOM 70 CA ASP 42 12.831 -4.242 32.118 1.00 1.00 ATOM 71 CA LEU 43 12.550 -4.611 35.896 1.00 1.00 ATOM 72 CA GLY 44 9.228 -6.402 36.373 1.00 1.00 ATOM 73 CA SER 45 8.653 -7.344 32.738 1.00 1.00 ATOM 74 CA GLY 46 5.197 -8.783 33.434 1.00 1.00 ATOM 75 CA SER 47 3.718 -10.696 30.514 1.00 1.00 ATOM 76 CA GLY 48 6.400 -9.156 28.320 1.00 1.00 ATOM 77 CA GLU 49 4.549 -6.467 26.351 1.00 1.00 ATOM 78 CA MET 50 7.192 -3.839 27.146 1.00 1.00 ATOM 79 CA LEU 51 10.188 -5.898 26.084 1.00 1.00 ATOM 80 CA CYS 52 8.692 -6.876 22.743 1.00 1.00 ATOM 81 CA THR 53 7.631 -3.310 22.063 1.00 1.00 ATOM 82 CA TRP 54 11.189 -2.094 22.698 1.00 1.00 ATOM 83 CA ALA 55 12.725 -4.642 20.327 1.00 1.00 ATOM 84 CA ARG 56 10.097 -3.747 17.723 1.00 1.00 ATOM 85 CA ASP 57 10.240 0.061 17.797 1.00 1.00 ATOM 86 CA HIS 58 13.789 0.631 19.063 1.00 1.00 ATOM 87 CA GLY 59 15.589 -2.448 17.771 1.00 1.00 ATOM 88 CA ILE 60 17.486 -3.121 20.991 1.00 1.00 ATOM 89 CA THR 61 18.518 -6.204 22.946 1.00 1.00 ATOM 90 CA GLY 62 16.389 -6.762 26.044 1.00 1.00 ATOM 91 CA THR 63 16.623 -8.436 29.435 1.00 1.00 ATOM 92 CA GLY 64 13.455 -8.869 31.496 1.00 1.00 ATOM 93 CA ILE 65 13.031 -9.769 35.167 1.00 1.00 ATOM 94 CA ASP 66 9.963 -11.172 36.914 1.00 1.00 ATOM 95 CA MET 67 9.091 -13.125 40.057 1.00 1.00 ATOM 96 CA SER 68 6.224 -14.852 38.223 1.00 1.00 ATOM 97 CA SER 69 6.798 -18.426 36.986 1.00 1.00 ATOM 98 CA LEU 70 3.868 -18.052 34.576 1.00 1.00 ATOM 99 CA PHE 71 5.061 -14.714 33.164 1.00 1.00 ATOM 100 CA THR 72 8.585 -16.051 32.621 1.00 1.00 ATOM 101 CA ALA 73 7.274 -19.242 31.066 1.00 1.00 ATOM 102 CA GLN 74 5.077 -17.128 28.784 1.00 1.00 ATOM 103 CA ALA 75 7.723 -14.684 27.655 1.00 1.00 ATOM 104 CA LYS 76 10.335 -17.458 27.352 1.00 1.00 ATOM 105 CA ARG 77 8.027 -19.291 24.901 1.00 1.00 ATOM 106 CA ARG 78 7.385 -16.078 22.995 1.00 1.00 ATOM 107 CA ALA 79 11.155 -15.531 22.742 1.00 1.00 ATOM 108 CA GLU 80 12.093 -19.069 21.672 1.00 1.00 ATOM 109 CA GLU 81 13.677 -19.465 18.232 1.00 1.00 ATOM 110 CA LEU 82 14.392 -15.761 17.897 1.00 1.00 ATOM 111 CA GLY 83 15.994 -15.129 14.536 1.00 1.00 ATOM 112 CA VAL 84 15.967 -11.407 15.333 1.00 1.00 ATOM 113 CA SER 85 19.526 -10.093 15.396 1.00 1.00 ATOM 114 CA GLU 86 18.705 -8.735 18.873 1.00 1.00 ATOM 115 CA ARG 87 19.091 -10.704 22.117 1.00 1.00 ATOM 116 CA VAL 88 15.914 -11.255 24.159 1.00 1.00 ATOM 117 CA HIS 89 16.327 -12.749 27.630 1.00 1.00 ATOM 118 CA PHE 90 13.858 -13.358 30.466 1.00 1.00 ATOM 119 CA ILE 91 14.946 -13.952 34.044 1.00 1.00 ATOM 120 CA HIS 92 12.994 -15.267 36.996 1.00 1.00 ATOM 121 CA ASN 93 14.919 -13.173 39.512 1.00 1.00 ATOM 122 CA ASP 94 14.503 -10.000 41.534 1.00 1.00 ATOM 123 CA ALA 95 16.174 -6.724 40.634 1.00 1.00 ATOM 124 CA ALA 96 18.318 -7.160 43.753 1.00 1.00 ATOM 125 CA GLY 97 19.923 -10.191 42.085 1.00 1.00 ATOM 126 CA TYR 98 20.734 -8.709 38.682 1.00 1.00 ATOM 127 CA ASN 101 24.346 -7.734 37.966 1.00 1.00 ATOM 128 CA GLU 102 24.827 -6.867 34.289 1.00 1.00 ATOM 129 CA LYS 103 26.048 -3.904 32.242 1.00 1.00 ATOM 130 CA CYS 104 22.948 -2.288 30.814 1.00 1.00 ATOM 131 CA ASP 105 22.370 0.844 28.735 1.00 1.00 ATOM 132 CA VAL 106 18.867 1.831 29.829 1.00 1.00 ATOM 133 CA ALA 107 16.482 0.760 32.561 1.00 1.00 ATOM 134 CA ALA 108 12.710 0.799 32.647 1.00 1.00 ATOM 135 CA CYS 109 10.477 -0.155 35.554 1.00 1.00 ATOM 136 CA VAL 110 6.695 -0.138 35.257 1.00 1.00 ATOM 137 CA GLY 111 5.088 -1.369 38.458 1.00 1.00 ATOM 138 CA ALA 112 2.106 -3.677 38.781 1.00 1.00 ATOM 139 CA THR 113 -0.935 -2.371 40.606 1.00 1.00 ATOM 140 CA TRP 114 -1.467 -4.247 43.896 1.00 1.00 ATOM 141 CA ILE 115 2.325 -4.690 44.233 1.00 1.00 ATOM 142 CA ALA 116 3.252 -2.013 46.772 1.00 1.00 ATOM 143 CA GLY 117 6.512 -2.186 48.673 1.00 1.00 ATOM 144 CA GLY 118 8.603 0.892 48.000 1.00 1.00 ATOM 147 CA PHE 119 14.303 2.579 46.662 1.00 1.00 ATOM 148 CA ALA 120 17.655 3.785 47.958 1.00 1.00 ATOM 149 CA GLY 121 19.443 0.501 47.270 1.00 1.00 ATOM 150 CA ALA 122 17.571 0.329 43.967 1.00 1.00 ATOM 151 CA GLU 123 19.108 3.485 42.520 1.00 1.00 ATOM 152 CA GLU 124 22.514 2.415 43.808 1.00 1.00 ATOM 153 CA LEU 125 22.030 -0.615 41.576 1.00 1.00 ATOM 154 CA LEU 126 20.592 1.457 38.738 1.00 1.00 ATOM 155 CA ALA 127 23.717 3.622 38.960 1.00 1.00 ATOM 156 CA GLN 128 26.039 0.644 39.331 1.00 1.00 ATOM 157 CA SER 129 24.703 -0.770 36.045 1.00 1.00 ATOM 158 CA LEU 130 23.935 2.158 33.743 1.00 1.00 ATOM 159 CA LYS 131 26.439 3.855 31.395 1.00 1.00 ATOM 160 CA PRO 132 27.890 7.252 32.348 1.00 1.00 ATOM 161 CA GLY 133 24.891 8.797 30.570 1.00 1.00 ATOM 162 CA GLY 134 22.537 5.964 31.419 1.00 1.00 ATOM 163 CA ILE 135 18.843 6.740 31.781 1.00 1.00 ATOM 164 CA MET 136 16.108 5.007 33.744 1.00 1.00 ATOM 165 CA LEU 137 12.380 5.465 33.799 1.00 1.00 ATOM 166 CA ILE 138 10.309 4.529 36.850 1.00 1.00 ATOM 167 CA GLY 139 6.546 4.295 36.485 1.00 1.00 ATOM 168 CA GLU 140 5.099 4.010 39.976 1.00 1.00 ATOM 169 CA PRO 141 2.127 4.927 42.076 1.00 1.00 ATOM 170 CA TYR 142 3.061 7.583 44.613 1.00 1.00 ATOM 171 CA TRP 143 1.385 9.005 47.675 1.00 1.00 ATOM 172 CA ARG 144 1.239 12.583 48.925 1.00 1.00 ATOM 173 CA GLN 145 4.205 13.844 50.959 1.00 1.00 ATOM 174 CA LEU 146 3.066 15.690 54.144 1.00 1.00 ATOM 175 CA PRO 147 4.370 19.002 52.777 1.00 1.00 ATOM 176 CA ALA 148 3.294 18.078 49.222 1.00 1.00 ATOM 177 CA THR 149 -0.542 18.273 49.188 1.00 1.00 ATOM 178 CA GLU 150 -2.155 21.694 48.509 1.00 1.00 ATOM 179 CA GLU 151 -5.040 23.445 46.691 1.00 1.00 ATOM 193 CA ILE 152 -2.505 8.444 54.964 1.00 1.00 ATOM 194 CA ALA 153 -4.228 5.722 57.031 1.00 1.00 ATOM 195 CA GLN 154 -6.954 5.163 54.421 1.00 1.00 ATOM 196 CA ALA 155 -4.354 4.983 51.673 1.00 1.00 ATOM 197 CA CYS 156 -2.006 2.558 53.455 1.00 1.00 ATOM 198 CA GLY 157 -4.728 0.335 54.945 1.00 1.00 ATOM 199 CA VAL 158 -7.577 0.319 52.376 1.00 1.00 ATOM 200 CA SER 159 -7.084 2.125 49.042 1.00 1.00 ATOM 201 CA SER 160 -4.791 0.999 47.560 1.00 1.00 ATOM 202 CA THR 161 -3.799 -0.678 50.824 1.00 1.00 ATOM 203 CA SER 162 -0.025 -0.368 50.798 1.00 1.00 ATOM 204 CA ASP 163 2.858 1.999 51.578 1.00 1.00 ATOM 205 CA PHE 164 3.455 4.434 48.709 1.00 1.00 ATOM 206 CA LEU 165 6.513 6.559 47.948 1.00 1.00 ATOM 207 CA THR 166 6.045 10.331 47.696 1.00 1.00 ATOM 208 CA LEU 167 7.359 12.374 44.777 1.00 1.00 ATOM 209 CA PRO 168 9.919 14.103 47.039 1.00 1.00 ATOM 210 CA GLY 169 11.104 10.733 48.353 1.00 1.00 ATOM 211 CA LEU 170 11.867 9.421 44.870 1.00 1.00 ATOM 212 CA VAL 171 13.536 12.681 43.773 1.00 1.00 ATOM 213 CA GLY 172 15.589 12.577 46.963 1.00 1.00 ATOM 214 CA ALA 173 16.491 8.886 46.874 1.00 1.00 ATOM 215 CA PHE 174 17.546 9.395 43.248 1.00 1.00 ATOM 216 CA ASP 175 19.482 12.615 43.876 1.00 1.00 ATOM 217 CA ASP 176 21.486 10.612 46.400 1.00 1.00 ATOM 218 CA LEU 177 22.657 7.658 44.310 1.00 1.00 ATOM 219 CA GLY 178 23.975 9.344 41.188 1.00 1.00 ATOM 220 CA TYR 179 20.727 10.346 39.501 1.00 1.00 ATOM 221 CA ASP 180 18.849 13.468 38.482 1.00 1.00 ATOM 222 CA VAL 181 15.065 13.416 38.040 1.00 1.00 ATOM 223 CA VAL 182 14.638 15.203 34.704 1.00 1.00 ATOM 224 CA GLU 183 10.841 14.923 34.578 1.00 1.00 ATOM 225 CA MET 184 7.894 13.772 36.644 1.00 1.00 ATOM 226 CA VAL 185 4.860 12.957 34.529 1.00 1.00 ATOM 227 CA LEU 186 1.521 12.322 36.237 1.00 1.00 ATOM 228 CA ALA 187 -1.071 9.965 34.724 1.00 1.00 ATOM 229 CA GLU 196 -3.618 10.518 37.484 1.00 1.00 ATOM 230 CA ALA 197 -6.593 11.101 35.141 1.00 1.00 ATOM 231 CA ALA 198 -5.746 8.004 33.123 1.00 1.00 ATOM 232 CA LYS 199 -5.765 5.684 36.149 1.00 1.00 ATOM 233 CA TRP 200 -9.295 6.755 37.054 1.00 1.00 ATOM 234 CA LEU 201 -10.419 5.594 33.609 1.00 1.00 ATOM 235 CA THR 202 -8.166 2.519 33.600 1.00 1.00 ATOM 236 CA MET 203 -9.694 1.359 36.862 1.00 1.00 ATOM 237 CA ARG 204 -13.109 2.314 35.419 1.00 1.00 ATOM 238 CA ARG 205 -12.479 0.031 32.440 1.00 1.00 ATOM 239 CA TRP 206 -11.194 -2.806 34.614 1.00 1.00 ATOM 240 CA LEU 207 -14.283 -2.732 36.837 1.00 1.00 ATOM 241 CA GLU 208 -16.691 -2.628 33.884 1.00 1.00 ATOM 242 CA ALA 209 -14.875 -5.490 32.224 1.00 1.00 ATOM 243 CA ASN 210 -14.916 -7.464 35.497 1.00 1.00 ATOM 244 CA PRO 211 -18.641 -6.858 36.026 1.00 1.00 ATOM 245 CA ASP 212 -19.371 -8.078 32.491 1.00 1.00 ATOM 246 CA ASP 213 -17.633 -11.316 33.498 1.00 1.00 ATOM 247 CA ASP 214 -19.105 -11.575 36.972 1.00 1.00 ATOM 249 CA PHE 215 -16.751 -16.448 35.183 1.00 1.00 ATOM 250 CA ALA 216 -15.150 -14.436 38.003 1.00 1.00 ATOM 251 CA ALA 217 -17.403 -15.962 40.662 1.00 1.00 ATOM 252 CA GLU 218 -16.701 -19.321 38.995 1.00 1.00 ATOM 253 CA VAL 219 -12.889 -19.007 39.068 1.00 1.00 ATOM 254 CA ARG 220 -12.706 -17.525 42.549 1.00 1.00 ATOM 255 CA ALA 221 -15.870 -16.749 44.494 1.00 1.00 ATOM 256 CA GLU 222 -18.577 -14.147 45.042 1.00 1.00 ATOM 257 CA LEU 223 -16.538 -12.753 47.942 1.00 1.00 ATOM 258 CA ASN 224 -13.426 -12.057 45.864 1.00 1.00 ATOM 259 CA ILE 225 -15.498 -10.617 43.007 1.00 1.00 ATOM 260 CA ALA 226 -17.195 -8.143 45.330 1.00 1.00 ATOM 261 CA PRO 227 -13.901 -7.332 47.045 1.00 1.00 ATOM 262 CA LYS 228 -12.367 -6.309 43.748 1.00 1.00 ATOM 263 CA ARG 229 -15.339 -4.396 42.442 1.00 1.00 ATOM 264 CA TYR 230 -15.237 -2.225 45.581 1.00 1.00 ATOM 265 CA VAL 231 -11.452 -2.133 45.785 1.00 1.00 ATOM 266 CA THR 232 -11.259 -1.046 42.147 1.00 1.00 ATOM 267 CA TYR 233 -14.020 1.489 42.756 1.00 1.00 ATOM 268 CA ALA 234 -12.415 2.782 45.937 1.00 1.00 ATOM 269 CA ARG 235 -8.939 3.096 44.427 1.00 1.00 ATOM 270 CA GLU 236 -10.351 5.034 41.463 1.00 1.00 ATOM 271 CA CYS 237 -11.720 7.588 43.927 1.00 1.00 ATOM 272 CA PHE 238 -8.459 7.974 45.831 1.00 1.00 ATOM 273 CA GLY 239 -6.990 9.216 42.535 1.00 1.00 ATOM 274 CA TRP 240 -9.995 11.500 42.010 1.00 1.00 ATOM 275 CA GLY 241 -8.954 13.404 45.170 1.00 1.00 ATOM 276 CA VAL 242 -5.228 13.262 44.544 1.00 1.00 ATOM 277 CA PHE 243 -3.908 11.599 47.699 1.00 1.00 ATOM 278 CA ALA 244 -2.935 8.817 45.325 1.00 1.00 ATOM 279 CA LEU 245 -0.896 9.554 42.215 1.00 1.00 ATOM 280 CA ILE 246 0.954 7.674 39.504 1.00 1.00 ATOM 281 CA ALA 247 4.122 9.140 38.057 1.00 1.00 ATOM 282 CA ARG 248 6.773 8.296 35.513 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 13:12:08 2002 Date: Thu, 15 Aug 2002 13:12:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0175 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 12:43:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_577172_24953 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175TS007_4 Current information on models submitted in prediction T0175TS007 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_4 PIN_577172_24953 6269-7633-6117 08/15/02 12:43:57 casp5@bialko.llnl.gov T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 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 T0175 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_4 PIN_577172_24953 6269-7633-6117 08/15/02 12:43:57 casp5@bialko.llnl.gov T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1KP9_B # Loading PARENT structure: 1kp9 (chain: B) # Number of residues in PARENT structure: 270 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue S 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue H 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 18 # IMPORTANT NOTE! Not complete main chain atoms for residue P 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue M 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue P 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue E 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue C 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue W 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue H 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue E 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue H 92 # IMPORTANT NOTE! Not complete main chain atoms for residue N 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue C 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue W 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue P 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue W 143 # IMPORTANT NOTE! Not complete main chain atoms for residue R 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue P 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 162 # IMPORTANT NOTE! Not complete main chain atoms for residue D 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue T 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue P 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue G 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue D 175 # IMPORTANT NOTE! Not complete main chain atoms for residue D 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue M 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue W 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue T 202 # IMPORTANT NOTE! Not complete main chain atoms for residue M 203 # IMPORTANT NOTE! Not complete main chain atoms for residue R 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue W 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue N 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue F 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue R 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue E 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue P 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue C 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue G 239 # IMPORTANT NOTE! Not complete main chain atoms for residue W 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue I 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue R 248 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0175 # Total number of residues in target: 248 # Total number of residues in model: 238 # Total number of atoms in model: 238 # Number of atoms with 1.0 occupancy: 238 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 238 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1KP9_B ATOM 27 CA MET 1 32.967 -6.170 73.527 1.00 1.00 ATOM 28 CA ASP 2 32.329 -5.658 77.241 1.00 1.00 ATOM 29 CA ILE 3 30.666 -8.386 79.362 1.00 1.00 ATOM 30 CA PRO 4 27.224 -7.143 78.290 1.00 1.00 ATOM 31 CA ARG 5 28.113 -7.616 74.619 1.00 1.00 ATOM 32 CA ILE 6 26.742 -4.116 73.904 1.00 1.00 ATOM 33 CA PHE 7 27.775 -3.416 70.317 1.00 1.00 ATOM 34 CA THR 8 27.016 0.332 70.185 1.00 1.00 ATOM 35 CA ILE 9 28.331 3.679 71.464 1.00 1.00 ATOM 36 CA SER 10 29.161 3.664 75.163 1.00 1.00 ATOM 37 CA GLU 11 28.616 6.798 77.262 1.00 1.00 ATOM 38 CA SER 12 31.543 7.771 79.471 1.00 1.00 ATOM 39 CA GLU 13 29.530 9.961 81.824 1.00 1.00 ATOM 40 CA HIS 14 32.796 10.083 83.759 1.00 1.00 ATOM 41 CA ARG 15 35.914 10.026 81.580 1.00 1.00 ATOM 44 CA ILE 16 35.307 1.601 81.964 1.00 1.00 ATOM 45 CA HIS 17 33.670 0.335 78.765 1.00 1.00 ATOM 46 CA ASN 18 31.132 -1.727 80.692 1.00 1.00 ATOM 47 CA PRO 19 30.196 1.095 83.063 1.00 1.00 ATOM 48 CA PHE 20 30.110 3.391 80.063 1.00 1.00 ATOM 49 CA THR 21 27.714 0.984 78.324 1.00 1.00 ATOM 50 CA GLU 22 25.435 0.726 81.319 1.00 1.00 ATOM 51 CA GLU 23 25.517 4.553 81.464 1.00 1.00 ATOM 52 CA LYS 24 24.545 4.805 77.802 1.00 1.00 ATOM 53 CA TYR 25 21.560 2.619 78.722 1.00 1.00 ATOM 54 CA ALA 26 20.566 4.696 81.764 1.00 1.00 ATOM 55 CA THR 27 20.930 7.780 79.591 1.00 1.00 ATOM 56 CA LEU 28 18.390 6.492 77.050 1.00 1.00 ATOM 57 CA GLY 29 16.073 4.895 79.611 1.00 1.00 ATOM 58 CA ARG 30 16.271 7.992 81.807 1.00 1.00 ATOM 59 CA VAL 31 14.563 10.056 79.112 1.00 1.00 ATOM 60 CA LEU 32 11.466 7.872 78.848 1.00 1.00 ATOM 61 CA ARG 33 9.915 8.791 82.201 1.00 1.00 ATOM 62 CA MET 34 9.261 5.123 82.989 1.00 1.00 ATOM 63 CA LYS 35 6.784 4.505 85.814 1.00 1.00 ATOM 64 CA PRO 36 6.745 1.174 87.649 1.00 1.00 ATOM 65 CA GLY 37 4.327 -1.161 85.944 1.00 1.00 ATOM 66 CA THR 38 4.703 0.426 82.528 1.00 1.00 ATOM 67 CA ARG 39 5.552 -1.827 79.614 1.00 1.00 ATOM 68 CA ILE 40 8.650 -0.918 77.636 1.00 1.00 ATOM 69 CA LEU 41 9.391 -2.091 74.109 1.00 1.00 ATOM 70 CA ASP 42 13.026 -2.582 73.206 1.00 1.00 ATOM 71 CA LEU 43 13.369 -2.907 69.397 1.00 1.00 ATOM 72 CA GLY 44 16.580 -4.851 68.756 1.00 1.00 ATOM 73 CA SER 45 17.168 -5.888 72.356 1.00 1.00 ATOM 74 CA GLY 46 20.538 -7.336 71.365 1.00 1.00 ATOM 75 CA SER 47 21.917 -9.446 74.210 1.00 1.00 ATOM 76 CA GLY 48 19.383 -8.074 76.707 1.00 1.00 ATOM 77 CA GLU 49 21.371 -5.562 78.780 1.00 1.00 ATOM 78 CA MET 50 18.881 -2.741 78.071 1.00 1.00 ATOM 79 CA LEU 51 15.805 -4.855 78.866 1.00 1.00 ATOM 80 CA CYS 52 17.245 -6.223 82.088 1.00 1.00 ATOM 81 CA THR 53 18.447 -2.799 83.139 1.00 1.00 ATOM 82 CA TRP 54 14.963 -1.364 82.478 1.00 1.00 ATOM 83 CA ALA 55 13.397 -4.015 84.675 1.00 1.00 ATOM 84 CA ARG 56 15.952 -3.529 87.450 1.00 1.00 ATOM 85 CA ASP 57 16.027 0.240 87.768 1.00 1.00 ATOM 86 CA HIS 58 12.511 1.175 86.694 1.00 1.00 ATOM 87 CA GLY 59 10.550 -1.906 87.700 1.00 1.00 ATOM 88 CA ILE 60 8.711 -2.073 84.369 1.00 1.00 ATOM 89 CA THR 61 7.469 -4.937 82.194 1.00 1.00 ATOM 90 CA GLY 62 9.544 -5.403 79.034 1.00 1.00 ATOM 91 CA THR 63 9.262 -6.778 75.507 1.00 1.00 ATOM 92 CA GLY 64 12.442 -7.209 73.481 1.00 1.00 ATOM 93 CA ILE 65 12.736 -7.906 69.769 1.00 1.00 ATOM 94 CA ASP 66 15.679 -9.468 67.920 1.00 1.00 ATOM 95 CA MET 67 16.146 -11.204 64.565 1.00 1.00 ATOM 96 CA SER 68 19.023 -13.246 66.069 1.00 1.00 ATOM 97 CA SER 69 18.242 -16.711 67.431 1.00 1.00 ATOM 98 CA LEU 70 21.270 -16.750 69.746 1.00 1.00 ATOM 99 CA PHE 71 20.389 -13.441 71.364 1.00 1.00 ATOM 100 CA THR 72 16.808 -14.646 71.833 1.00 1.00 ATOM 101 CA ALA 73 17.983 -17.830 73.591 1.00 1.00 ATOM 102 CA GLN 74 20.478 -15.904 75.691 1.00 1.00 ATOM 103 CA ALA 75 17.884 -13.350 76.724 1.00 1.00 ATOM 104 CA LYS 76 15.231 -15.982 77.437 1.00 1.00 ATOM 105 CA ARG 77 17.824 -17.514 79.749 1.00 1.00 ATOM 106 CA ARG 78 18.309 -14.145 81.505 1.00 1.00 ATOM 107 CA ALA 79 14.546 -13.835 81.947 1.00 1.00 ATOM 108 CA GLU 80 14.264 -17.343 83.412 1.00 1.00 ATOM 109 CA GLU 81 16.787 -16.475 86.103 1.00 1.00 ATOM 110 CA LEU 82 15.496 -13.010 86.998 1.00 1.00 ATOM 111 CA GLY 83 14.237 -12.380 90.554 1.00 1.00 ATOM 112 CA VAL 84 11.993 -9.535 89.384 1.00 1.00 ATOM 113 CA SER 85 8.255 -10.254 89.131 1.00 1.00 ATOM 114 CA GLU 86 7.471 -8.113 86.074 1.00 1.00 ATOM 115 CA ARG 87 6.600 -9.595 82.699 1.00 1.00 ATOM 116 CA VAL 88 9.580 -10.049 80.379 1.00 1.00 ATOM 117 CA HIS 89 9.395 -11.353 76.838 1.00 1.00 ATOM 118 CA PHE 90 11.833 -11.783 74.005 1.00 1.00 ATOM 119 CA ILE 91 10.353 -12.336 70.600 1.00 1.00 ATOM 120 CA HIS 92 12.295 -13.614 67.631 1.00 1.00 ATOM 121 CA ASN 93 10.738 -11.264 65.106 1.00 1.00 ATOM 122 CA ASP 94 11.112 -7.870 63.476 1.00 1.00 ATOM 123 CA ALA 95 9.438 -4.644 64.542 1.00 1.00 ATOM 124 CA ALA 96 7.260 -4.522 61.403 1.00 1.00 ATOM 125 CA GLY 97 5.068 -7.360 62.738 1.00 1.00 ATOM 126 CA TYR 98 4.788 -6.197 66.376 1.00 1.00 ATOM 127 CA ASN 101 1.127 -5.485 67.145 1.00 1.00 ATOM 128 CA GLU 102 1.120 -4.813 70.889 1.00 1.00 ATOM 129 CA LYS 103 0.427 -1.635 72.890 1.00 1.00 ATOM 130 CA CYS 104 3.354 -0.326 74.927 1.00 1.00 ATOM 131 CA ASP 105 3.927 2.785 77.013 1.00 1.00 ATOM 132 CA VAL 106 7.500 3.570 76.006 1.00 1.00 ATOM 133 CA ALA 107 9.892 2.552 73.291 1.00 1.00 ATOM 134 CA ALA 108 13.650 2.382 73.123 1.00 1.00 ATOM 135 CA CYS 109 15.764 1.534 70.095 1.00 1.00 ATOM 136 CA VAL 110 19.567 1.547 70.318 1.00 1.00 ATOM 137 CA GLY 111 21.094 0.566 67.008 1.00 1.00 ATOM 138 CA ALA 112 23.827 -1.988 66.529 1.00 1.00 ATOM 139 CA THR 113 27.157 -1.067 64.982 1.00 1.00 ATOM 140 CA TRP 114 27.514 -2.437 61.443 1.00 1.00 ATOM 141 CA ILE 115 23.747 -1.982 60.880 1.00 1.00 ATOM 142 CA ALA 116 23.134 1.515 59.481 1.00 1.00 ATOM 143 CA GLY 117 20.164 1.477 57.092 1.00 1.00 ATOM 144 CA GLY 118 17.277 3.952 57.285 1.00 1.00 ATOM 147 CA PHE 119 12.268 5.089 58.948 1.00 1.00 ATOM 148 CA ALA 120 8.830 6.402 58.000 1.00 1.00 ATOM 149 CA GLY 121 7.226 3.011 58.684 1.00 1.00 ATOM 150 CA ALA 122 9.055 2.733 62.011 1.00 1.00 ATOM 151 CA GLU 123 7.856 6.095 63.340 1.00 1.00 ATOM 152 CA GLU 124 4.359 5.299 62.079 1.00 1.00 ATOM 153 CA LEU 125 4.179 2.051 64.050 1.00 1.00 ATOM 154 CA LEU 126 5.965 3.529 67.070 1.00 1.00 ATOM 155 CA ALA 127 3.365 6.289 67.130 1.00 1.00 ATOM 156 CA GLN 128 0.479 3.865 66.709 1.00 1.00 ATOM 157 CA SER 129 1.638 1.699 69.630 1.00 1.00 ATOM 158 CA LEU 130 2.416 4.533 72.067 1.00 1.00 ATOM 159 CA LYS 131 0.135 6.090 74.721 1.00 1.00 ATOM 160 CA PRO 132 -1.254 9.564 74.044 1.00 1.00 ATOM 161 CA GLY 133 1.779 10.814 76.032 1.00 1.00 ATOM 162 CA GLY 134 4.237 8.145 74.915 1.00 1.00 ATOM 163 CA ILE 135 7.941 8.665 74.402 1.00 1.00 ATOM 164 CA MET 136 10.391 6.855 72.199 1.00 1.00 ATOM 165 CA LEU 137 14.159 7.070 72.455 1.00 1.00 ATOM 166 CA ILE 138 15.977 6.494 69.201 1.00 1.00 ATOM 167 CA GLY 139 19.740 6.030 69.409 1.00 1.00 ATOM 168 CA GLU 140 21.413 5.835 66.022 1.00 1.00 ATOM 169 CA PRO 141 24.602 6.683 64.178 1.00 1.00 ATOM 170 CA TYR 142 24.087 9.685 61.872 1.00 1.00 ATOM 171 CA TRP 143 25.744 11.156 58.800 1.00 1.00 ATOM 172 CA ARG 144 25.948 14.803 57.728 1.00 1.00 ATOM 173 CA GLN 145 23.279 16.398 55.590 1.00 1.00 ATOM 174 CA LEU 146 24.698 18.636 52.858 1.00 1.00 ATOM 175 CA PRO 147 23.358 21.665 54.750 1.00 1.00 ATOM 176 CA ALA 148 25.222 20.807 57.950 1.00 1.00 ATOM 177 CA THR 149 28.636 20.720 56.259 1.00 1.00 ATOM 178 CA GLU 150 29.316 24.433 56.606 1.00 1.00 ATOM 179 CA GLU 151 27.941 24.679 60.149 1.00 1.00 ATOM 193 CA ILE 152 30.329 10.649 50.729 1.00 1.00 ATOM 194 CA ALA 153 32.788 8.035 49.525 1.00 1.00 ATOM 195 CA GLN 154 34.458 7.434 52.888 1.00 1.00 ATOM 196 CA ALA 155 31.223 7.163 54.858 1.00 1.00 ATOM 197 CA CYS 156 29.368 4.910 52.418 1.00 1.00 ATOM 198 CA GLY 157 32.267 2.740 51.266 1.00 1.00 ATOM 199 CA VAL 158 34.696 2.473 54.191 1.00 1.00 ATOM 200 CA SER 159 34.076 4.029 57.604 1.00 1.00 ATOM 201 CA SER 160 31.504 2.776 58.516 1.00 1.00 ATOM 202 CA THR 161 30.686 1.767 54.947 1.00 1.00 ATOM 203 CA SER 162 26.953 2.379 54.921 1.00 1.00 ATOM 204 CA ASP 163 24.167 4.877 54.258 1.00 1.00 ATOM 205 CA PHE 164 23.445 6.916 57.345 1.00 1.00 ATOM 206 CA LEU 165 20.327 8.861 58.307 1.00 1.00 ATOM 207 CA THR 166 20.925 12.586 58.785 1.00 1.00 ATOM 208 CA LEU 167 19.526 14.674 61.617 1.00 1.00 ATOM 209 CA PRO 168 17.236 16.631 59.259 1.00 1.00 ATOM 210 CA GLY 169 15.962 13.352 57.822 1.00 1.00 ATOM 211 CA LEU 170 15.028 11.967 61.227 1.00 1.00 ATOM 212 CA VAL 171 13.650 15.318 62.383 1.00 1.00 ATOM 213 CA GLY 172 11.402 15.352 59.311 1.00 1.00 ATOM 214 CA ALA 173 10.348 11.740 59.687 1.00 1.00 ATOM 215 CA PHE 174 9.421 12.210 63.370 1.00 1.00 ATOM 216 CA ASP 175 7.309 15.319 62.830 1.00 1.00 ATOM 217 CA ASP 176 5.606 13.739 59.824 1.00 1.00 ATOM 218 CA LEU 177 4.476 10.954 62.156 1.00 1.00 ATOM 219 CA GLY 178 3.273 13.116 65.016 1.00 1.00 ATOM 220 CA TYR 179 6.312 13.105 67.260 1.00 1.00 ATOM 221 CA ASP 180 8.086 16.150 68.651 1.00 1.00 ATOM 222 CA VAL 181 11.851 15.844 69.044 1.00 1.00 ATOM 223 CA VAL 182 12.454 17.483 72.421 1.00 1.00 ATOM 224 CA GLU 183 16.135 16.598 72.380 1.00 1.00 ATOM 225 CA MET 184 18.936 15.458 70.122 1.00 1.00 ATOM 226 CA VAL 185 22.010 14.464 72.163 1.00 1.00 ATOM 227 CA LEU 186 25.334 13.807 70.445 1.00 1.00 ATOM 228 CA ALA 187 27.747 11.142 71.743 1.00 1.00 ATOM 229 CA GLU 196 30.350 11.778 69.029 1.00 1.00 ATOM 230 CA ALA 197 33.472 11.981 71.246 1.00 1.00 ATOM 231 CA ALA 198 32.113 8.948 73.085 1.00 1.00 ATOM 232 CA LYS 199 32.080 6.726 70.001 1.00 1.00 ATOM 233 CA TRP 200 35.670 7.517 69.097 1.00 1.00 ATOM 234 CA LEU 201 36.593 6.474 72.633 1.00 1.00 ATOM 235 CA THR 202 34.340 3.416 72.468 1.00 1.00 ATOM 236 CA MET 203 35.850 2.215 69.163 1.00 1.00 ATOM 237 CA ARG 204 39.351 2.866 70.535 1.00 1.00 ATOM 238 CA ARG 205 38.505 0.578 73.457 1.00 1.00 ATOM 239 CA TRP 206 37.180 -2.132 71.137 1.00 1.00 ATOM 240 CA LEU 207 40.238 -2.114 68.874 1.00 1.00 ATOM 241 CA GLU 208 42.615 -2.162 71.860 1.00 1.00 ATOM 242 CA ALA 209 40.551 -4.965 73.405 1.00 1.00 ATOM 243 CA ASN 210 40.686 -6.919 70.148 1.00 1.00 ATOM 244 CA PRO 211 44.435 -6.319 69.824 1.00 1.00 ATOM 245 CA ASP 212 44.898 -7.743 73.313 1.00 1.00 ATOM 246 CA ASP 213 43.010 -10.776 72.015 1.00 1.00 ATOM 247 CA ASP 214 44.840 -11.081 68.707 1.00 1.00 ATOM 249 CA PHE 215 42.333 -15.678 70.345 1.00 1.00 ATOM 250 CA ALA 216 40.967 -13.724 67.365 1.00 1.00 ATOM 251 CA ALA 217 43.161 -15.695 65.002 1.00 1.00 ATOM 252 CA GLU 218 42.135 -18.957 66.687 1.00 1.00 ATOM 253 CA VAL 219 38.485 -18.177 65.841 1.00 1.00 ATOM 254 CA ARG 220 38.657 -16.621 62.402 1.00 1.00 ATOM 255 CA ALA 221 41.967 -15.620 60.822 1.00 1.00 ATOM 256 CA GLU 222 44.665 -12.972 60.847 1.00 1.00 ATOM 257 CA LEU 223 42.972 -11.388 57.807 1.00 1.00 ATOM 258 CA ASN 224 39.646 -10.859 59.546 1.00 1.00 ATOM 259 CA ILE 225 41.572 -9.651 62.595 1.00 1.00 ATOM 260 CA ALA 226 43.536 -7.091 60.572 1.00 1.00 ATOM 261 CA PRO 227 40.417 -6.110 58.654 1.00 1.00 ATOM 262 CA LYS 228 38.632 -5.328 61.927 1.00 1.00 ATOM 263 CA ARG 229 41.528 -3.403 63.417 1.00 1.00 ATOM 264 CA TYR 230 41.543 -1.056 60.416 1.00 1.00 ATOM 265 CA VAL 231 37.776 -0.721 60.354 1.00 1.00 ATOM 266 CA THR 232 37.445 -0.058 64.093 1.00 1.00 ATOM 267 CA TYR 233 40.384 2.349 64.074 1.00 1.00 ATOM 268 CA ALA 234 39.155 4.070 60.929 1.00 1.00 ATOM 269 CA ARG 235 35.685 4.567 62.370 1.00 1.00 ATOM 270 CA GLU 236 37.095 5.899 65.628 1.00 1.00 ATOM 271 CA CYS 237 38.891 8.552 63.567 1.00 1.00 ATOM 272 CA PHE 238 35.717 9.414 61.607 1.00 1.00 ATOM 273 CA GLY 239 33.926 10.315 64.837 1.00 1.00 ATOM 274 CA TRP 240 36.971 12.029 66.344 1.00 1.00 ATOM 275 CA GLY 241 37.404 14.244 63.278 1.00 1.00 ATOM 276 CA VAL 242 33.656 14.877 63.140 1.00 1.00 ATOM 277 CA PHE 243 32.729 13.252 59.806 1.00 1.00 ATOM 278 CA ALA 244 30.001 11.071 61.372 1.00 1.00 ATOM 279 CA LEU 245 27.959 11.335 64.565 1.00 1.00 ATOM 280 CA ILE 246 25.809 9.332 66.922 1.00 1.00 ATOM 281 CA ALA 247 22.637 10.891 68.283 1.00 1.00 ATOM 282 CA ARG 248 19.884 10.127 70.732 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 13:10:07 2002 Date: Thu, 15 Aug 2002 13:10:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0175 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 12:41:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_556067_24948 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0175TS007_5 Current information on models submitted in prediction T0175TS007 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 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 T0175 MODEL_INDEX PIN CODE DATE E-mail T0175TS007_2 PIN_531490_24939 6269-7633-6117 08/15/02 12:39:03 casp5@bialko.llnl.gov T0175TS007_3 PIN_546464_24945 6269-7633-6117 08/15/02 12:40:50 casp5@bialko.llnl.gov T0175TS007_5 PIN_556067_24948 6269-7633-6117 08/15/02 12:41:46 casp5@bialko.llnl.gov T0175SS007_1 PIN_569139_20626 6269-7633-6117 08/11/02 19:44:28 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1KPH_A # Loading PARENT structure: 1kph (chain: A) # Number of residues in PARENT structure: 283 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue S 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue H 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 18 # IMPORTANT NOTE! Not complete main chain atoms for residue P 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue M 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue P 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue E 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue C 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue W 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue H 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue E 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue H 92 # IMPORTANT NOTE! Not complete main chain atoms for residue N 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue C 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue C 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue W 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue I 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue P 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue W 143 # IMPORTANT NOTE! Not complete main chain atoms for residue R 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue P 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue T 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 162 # IMPORTANT NOTE! Not complete main chain atoms for residue D 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue T 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue P 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue L 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue G 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue D 175 # IMPORTANT NOTE! Not complete main chain atoms for residue D 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue M 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue W 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue T 202 # IMPORTANT NOTE! Not complete main chain atoms for residue M 203 # IMPORTANT NOTE! Not complete main chain atoms for residue R 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue W 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue N 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue F 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue R 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue E 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue P 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue C 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue G 239 # IMPORTANT NOTE! Not complete main chain atoms for residue W 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue I 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue R 248 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0175 # Total number of residues in target: 248 # Total number of residues in model: 238 # Total number of atoms in model: 238 # Number of atoms with 1.0 occupancy: 238 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 238 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0175 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1KPH_A ATOM 27 CA MET 1 14.110 23.374 135.457 1.00 1.00 ATOM 28 CA ASP 2 16.165 21.673 132.753 1.00 1.00 ATOM 29 CA ILE 3 17.645 23.828 129.948 1.00 1.00 ATOM 30 CA PRO 4 14.597 23.377 127.687 1.00 1.00 ATOM 31 CA ARG 5 12.641 24.933 130.557 1.00 1.00 ATOM 32 CA ILE 6 10.108 22.112 130.372 1.00 1.00 ATOM 33 CA PHE 7 7.818 22.444 133.393 1.00 1.00 ATOM 34 CA THR 8 5.929 19.143 133.513 1.00 1.00 ATOM 35 CA ILE 9 6.477 15.431 134.227 1.00 1.00 ATOM 36 CA SER 10 9.501 13.991 132.428 1.00 1.00 ATOM 37 CA GLU 11 9.602 10.472 130.946 1.00 1.00 ATOM 38 CA SER 12 12.518 8.277 132.005 1.00 1.00 ATOM 39 CA GLU 13 12.152 5.824 129.123 1.00 1.00 ATOM 40 CA HIS 14 15.642 4.514 129.914 1.00 1.00 ATOM 41 CA ARG 15 17.105 4.126 133.408 1.00 1.00 ATOM 44 CA ILE 16 19.310 12.888 132.388 1.00 1.00 ATOM 45 CA HIS 17 16.414 15.221 133.173 1.00 1.00 ATOM 46 CA ASN 18 16.906 16.938 129.815 1.00 1.00 ATOM 47 CA PRO 19 16.822 13.626 127.919 1.00 1.00 ATOM 48 CA PHE 20 13.763 12.506 129.899 1.00 1.00 ATOM 49 CA THR 21 11.941 15.759 129.146 1.00 1.00 ATOM 50 CA GLU 22 12.678 15.339 125.441 1.00 1.00 ATOM 51 CA GLU 23 11.452 11.748 125.675 1.00 1.00 ATOM 52 CA LYS 24 8.226 13.000 127.278 1.00 1.00 ATOM 53 CA TYR 25 7.814 15.486 124.430 1.00 1.00 ATOM 54 CA ALA 26 8.377 12.752 121.815 1.00 1.00 ATOM 55 CA THR 27 5.932 10.462 123.637 1.00 1.00 ATOM 56 CA LEU 28 3.252 13.151 123.377 1.00 1.00 ATOM 57 CA GLY 29 4.032 14.312 119.837 1.00 1.00 ATOM 58 CA ARG 30 4.439 10.734 118.647 1.00 1.00 ATOM 59 CA VAL 31 0.741 10.122 119.326 1.00 1.00 ATOM 60 CA LEU 32 -0.460 12.916 117.026 1.00 1.00 ATOM 61 CA ARG 33 0.413 11.427 113.636 1.00 1.00 ATOM 62 CA MET 34 2.239 14.611 112.676 1.00 1.00 ATOM 63 CA LYS 35 3.131 15.341 109.060 1.00 1.00 ATOM 64 CA PRO 36 5.125 18.122 107.361 1.00 1.00 ATOM 65 CA GLY 37 3.009 21.197 106.705 1.00 1.00 ATOM 66 CA THR 38 0.539 20.517 109.508 1.00 1.00 ATOM 67 CA ARG 39 -0.214 23.223 112.063 1.00 1.00 ATOM 68 CA ILE 40 0.148 22.178 115.702 1.00 1.00 ATOM 69 CA LEU 41 -1.570 24.085 118.498 1.00 1.00 ATOM 70 CA ASP 42 0.164 24.003 121.891 1.00 1.00 ATOM 71 CA LEU 43 -2.292 25.121 124.577 1.00 1.00 ATOM 72 CA GLY 44 -0.211 26.404 127.468 1.00 1.00 ATOM 73 CA SER 45 3.057 26.303 125.525 1.00 1.00 ATOM 74 CA GLY 46 5.138 27.299 128.548 1.00 1.00 ATOM 75 CA SER 47 8.643 28.355 127.552 1.00 1.00 ATOM 76 CA GLY 48 8.143 26.693 124.166 1.00 1.00 ATOM 77 CA GLU 49 10.347 23.581 124.261 1.00 1.00 ATOM 78 CA MET 50 7.519 21.470 122.826 1.00 1.00 ATOM 79 CA LEU 51 6.701 23.934 120.027 1.00 1.00 ATOM 80 CA CYS 52 10.307 24.168 118.854 1.00 1.00 ATOM 81 CA THR 53 10.775 20.383 119.045 1.00 1.00 ATOM 82 CA TRP 54 7.661 19.977 116.908 1.00 1.00 ATOM 83 CA ALA 55 9.164 22.368 114.354 1.00 1.00 ATOM 84 CA ARG 56 12.729 21.038 114.395 1.00 1.00 ATOM 85 CA ASP 57 12.142 17.280 114.703 1.00 1.00 ATOM 86 CA HIS 58 8.723 16.888 113.091 1.00 1.00 ATOM 87 CA GLY 59 8.673 19.776 110.608 1.00 1.00 ATOM 88 CA ILE 60 5.228 21.204 111.388 1.00 1.00 ATOM 89 CA THR 61 4.031 24.799 111.741 1.00 1.00 ATOM 90 CA GLY 62 3.087 25.799 115.279 1.00 1.00 ATOM 91 CA THR 63 0.892 28.077 117.356 1.00 1.00 ATOM 92 CA GLY 64 1.503 28.394 121.087 1.00 1.00 ATOM 93 CA ILE 65 -0.783 29.907 123.718 1.00 1.00 ATOM 94 CA ASP 66 0.162 31.163 127.190 1.00 1.00 ATOM 95 CA MET 67 -1.107 33.618 129.807 1.00 1.00 ATOM 96 CA SER 68 2.438 34.262 131.026 1.00 1.00 ATOM 97 CA SER 69 3.962 37.565 129.902 1.00 1.00 ATOM 98 CA LEU 70 7.511 36.331 130.505 1.00 1.00 ATOM 99 CA PHE 71 6.852 33.108 128.599 1.00 1.00 ATOM 100 CA THR 72 5.242 34.933 125.687 1.00 1.00 ATOM 101 CA ALA 73 8.315 37.175 125.463 1.00 1.00 ATOM 102 CA GLN 74 10.789 34.300 125.807 1.00 1.00 ATOM 103 CA ALA 75 9.121 32.191 123.117 1.00 1.00 ATOM 104 CA LYS 76 8.780 35.298 120.951 1.00 1.00 ATOM 105 CA ARG 77 12.579 35.464 120.869 1.00 1.00 ATOM 106 CA ARG 78 12.910 31.777 120.014 1.00 1.00 ATOM 107 CA ALA 79 10.547 32.401 117.089 1.00 1.00 ATOM 108 CA GLU 80 12.369 35.573 116.039 1.00 1.00 ATOM 109 CA GLU 81 15.755 33.829 116.083 1.00 1.00 ATOM 110 CA LEU 82 14.733 30.517 114.486 1.00 1.00 ATOM 111 CA GLY 83 16.303 29.715 111.117 1.00 1.00 ATOM 112 CA VAL 84 13.616 27.146 110.346 1.00 1.00 ATOM 113 CA SER 85 11.158 28.027 107.562 1.00 1.00 ATOM 114 CA GLU 86 7.972 26.783 109.255 1.00 1.00 ATOM 115 CA ARG 87 5.330 29.197 110.543 1.00 1.00 ATOM 116 CA VAL 88 5.640 29.896 114.271 1.00 1.00 ATOM 117 CA HIS 89 3.282 31.920 116.435 1.00 1.00 ATOM 118 CA PHE 90 3.103 32.546 120.179 1.00 1.00 ATOM 119 CA ILE 91 0.144 34.443 121.628 1.00 1.00 ATOM 120 CA HIS 92 -0.323 36.020 125.039 1.00 1.00 ATOM 121 CA ASN 93 -3.880 34.702 125.148 1.00 1.00 ATOM 122 CA ASP 94 -5.911 31.786 126.455 1.00 1.00 ATOM 123 CA ALA 95 -7.691 29.129 124.414 1.00 1.00 ATOM 124 CA ALA 96 -10.743 31.129 125.505 1.00 1.00 ATOM 125 CA GLY 97 -9.637 33.803 123.028 1.00 1.00 ATOM 126 CA TYR 98 -8.416 31.458 120.285 1.00 1.00 ATOM 127 CA ASN 101 -10.811 30.288 117.577 1.00 1.00 ATOM 128 CA GLU 102 -8.672 29.166 114.658 1.00 1.00 ATOM 129 CA LYS 103 -8.573 25.795 112.844 1.00 1.00 ATOM 130 CA CYS 104 -5.536 23.612 113.547 1.00 1.00 ATOM 131 CA ASP 105 -4.581 20.094 112.462 1.00 1.00 ATOM 132 CA VAL 106 -3.500 18.710 115.835 1.00 1.00 ATOM 133 CA ALA 107 -3.505 19.748 119.476 1.00 1.00 ATOM 134 CA ALA 108 -1.169 19.135 122.391 1.00 1.00 ATOM 135 CA CYS 109 -1.606 20.429 125.927 1.00 1.00 ATOM 136 CA VAL 110 0.752 19.505 128.728 1.00 1.00 ATOM 137 CA GLY 111 0.158 20.629 132.296 1.00 1.00 ATOM 138 CA ALA 112 -2.157 23.509 131.389 1.00 1.00 ATOM 139 CA THR 113 -5.467 21.775 132.085 1.00 1.00 ATOM 140 CA TRP 114 -4.879 22.060 135.842 1.00 1.00 ATOM 141 CA ILE 115 -5.286 25.833 135.402 1.00 1.00 ATOM 142 CA ALA 116 -8.571 25.758 133.471 1.00 1.00 ATOM 143 CA GLY 117 -10.865 24.933 136.383 1.00 1.00 ATOM 144 CA GLY 118 -13.617 22.285 136.424 1.00 1.00 ATOM 147 CA PHE 119 -13.455 21.838 131.090 1.00 1.00 ATOM 148 CA ALA 120 -16.535 21.374 128.920 1.00 1.00 ATOM 149 CA GLY 121 -15.853 24.621 127.057 1.00 1.00 ATOM 150 CA ALA 122 -12.267 23.573 126.407 1.00 1.00 ATOM 151 CA GLU 123 -13.148 20.217 124.838 1.00 1.00 ATOM 152 CA GLU 124 -15.922 21.899 122.861 1.00 1.00 ATOM 153 CA LEU 125 -13.403 24.313 121.337 1.00 1.00 ATOM 154 CA LEU 126 -10.827 21.565 120.861 1.00 1.00 ATOM 155 CA ALA 127 -13.313 19.438 118.931 1.00 1.00 ATOM 156 CA GLN 128 -14.430 22.440 116.882 1.00 1.00 ATOM 157 CA SER 129 -10.913 23.524 115.866 1.00 1.00 ATOM 158 CA LEU 130 -9.719 20.048 114.830 1.00 1.00 ATOM 159 CA LYS 131 -10.076 18.497 111.345 1.00 1.00 ATOM 160 CA PRO 132 -12.175 15.378 110.749 1.00 1.00 ATOM 161 CA GLY 133 -9.227 13.118 111.594 1.00 1.00 ATOM 162 CA GLY 134 -7.986 15.506 114.282 1.00 1.00 ATOM 163 CA ILE 135 -6.255 14.339 117.452 1.00 1.00 ATOM 164 CA MET 136 -5.543 16.014 120.793 1.00 1.00 ATOM 165 CA LEU 137 -3.001 14.733 123.295 1.00 1.00 ATOM 166 CA ILE 138 -4.092 16.057 126.680 1.00 1.00 ATOM 167 CA GLY 139 -1.495 15.561 129.395 1.00 1.00 ATOM 168 CA GLU 140 -2.604 16.475 132.900 1.00 1.00 ATOM 169 CA PRO 141 -2.155 15.677 136.561 1.00 1.00 ATOM 170 CA TYR 142 -5.183 13.853 138.015 1.00 1.00 ATOM 171 CA TRP 143 -6.391 13.551 141.585 1.00 1.00 ATOM 172 CA ARG 144 -8.519 11.381 143.837 1.00 1.00 ATOM 173 CA GLN 145 -11.382 12.722 145.936 1.00 1.00 ATOM 174 CA LEU 146 -10.185 13.313 149.548 1.00 1.00 ATOM 175 CA PRO 147 -13.313 11.584 150.844 1.00 1.00 ATOM 176 CA ALA 148 -12.841 8.513 148.653 1.00 1.00 ATOM 177 CA THR 149 -9.075 8.567 149.289 1.00 1.00 ATOM 178 CA GLU 150 -9.650 7.194 152.785 1.00 1.00 ATOM 179 CA GLU 151 -10.916 3.958 151.217 1.00 1.00 ATOM 193 CA ILE 152 -4.765 24.117 150.338 1.00 1.00 ATOM 194 CA ALA 153 -1.152 25.262 150.547 1.00 1.00 ATOM 195 CA GLN 154 -0.586 24.663 146.828 1.00 1.00 ATOM 196 CA ALA 155 -3.716 26.502 145.675 1.00 1.00 ATOM 197 CA CYS 156 -3.108 29.385 148.060 1.00 1.00 ATOM 198 CA GLY 157 0.644 29.981 147.760 1.00 1.00 ATOM 199 CA VAL 158 1.778 28.226 144.561 1.00 1.00 ATOM 200 CA SER 159 -0.992 27.895 141.985 1.00 1.00 ATOM 201 CA SER 160 -3.822 30.365 142.670 1.00 1.00 ATOM 202 CA THR 161 -6.967 29.074 140.980 1.00 1.00 ATOM 203 CA SER 162 -5.525 25.622 140.416 1.00 1.00 ATOM 204 CA ASP 163 -7.853 22.621 140.398 1.00 1.00 ATOM 205 CA PHE 164 -7.200 18.929 139.738 1.00 1.00 ATOM 206 CA LEU 165 -9.510 16.880 137.521 1.00 1.00 ATOM 207 CA THR 166 -10.286 13.246 138.287 1.00 1.00 ATOM 208 CA LEU 167 -9.771 10.741 135.473 1.00 1.00 ATOM 209 CA PRO 168 -13.522 10.113 135.101 1.00 1.00 ATOM 210 CA GLY 169 -13.998 13.872 134.829 1.00 1.00 ATOM 211 CA LEU 170 -11.617 14.058 131.853 1.00 1.00 ATOM 212 CA VAL 171 -13.200 10.983 130.275 1.00 1.00 ATOM 213 CA GLY 172 -16.635 12.611 130.701 1.00 1.00 ATOM 214 CA ALA 173 -15.875 16.037 129.221 1.00 1.00 ATOM 215 CA PHE 174 -14.085 14.344 126.321 1.00 1.00 ATOM 216 CA ASP 175 -16.864 11.909 125.458 1.00 1.00 ATOM 217 CA ASP 176 -19.615 14.497 125.994 1.00 1.00 ATOM 218 CA LEU 177 -17.890 16.721 123.440 1.00 1.00 ATOM 219 CA GLY 178 -17.489 14.092 120.747 1.00 1.00 ATOM 220 CA TYR 179 -14.050 12.663 121.507 1.00 1.00 ATOM 221 CA ASP 180 -12.999 9.042 121.815 1.00 1.00 ATOM 222 CA VAL 181 -10.207 8.530 124.347 1.00 1.00 ATOM 223 CA VAL 182 -8.168 5.780 122.678 1.00 1.00 ATOM 224 CA GLU 183 -5.489 5.631 125.387 1.00 1.00 ATOM 225 CA MET 184 -4.715 6.832 128.898 1.00 1.00 ATOM 226 CA VAL 185 -1.034 6.441 129.796 1.00 1.00 ATOM 227 CA LEU 186 0.159 7.067 133.340 1.00 1.00 ATOM 228 CA ALA 187 3.583 8.560 134.111 1.00 1.00 ATOM 229 CA GLU 196 3.003 8.522 137.883 1.00 1.00 ATOM 230 CA ALA 197 6.385 7.158 139.052 1.00 1.00 ATOM 231 CA ALA 198 8.220 9.416 136.625 1.00 1.00 ATOM 232 CA LYS 199 6.935 12.558 138.352 1.00 1.00 ATOM 233 CA TRP 200 8.393 11.821 141.788 1.00 1.00 ATOM 234 CA LEU 201 11.820 11.584 140.145 1.00 1.00 ATOM 235 CA THR 202 11.263 14.698 138.023 1.00 1.00 ATOM 236 CA MET 203 10.279 16.592 141.180 1.00 1.00 ATOM 237 CA ARG 204 13.197 15.128 143.150 1.00 1.00 ATOM 238 CA ARG 205 15.581 16.365 140.443 1.00 1.00 ATOM 239 CA TRP 206 13.966 19.810 140.390 1.00 1.00 ATOM 240 CA LEU 207 14.266 20.197 144.165 1.00 1.00 ATOM 241 CA GLU 208 17.857 18.945 144.247 1.00 1.00 ATOM 242 CA ALA 209 18.863 21.708 141.824 1.00 1.00 ATOM 243 CA ASN 210 16.876 24.498 143.496 1.00 1.00 ATOM 244 CA PRO 211 18.453 23.628 146.841 1.00 1.00 ATOM 245 CA ASP 212 21.990 23.698 145.424 1.00 1.00 ATOM 246 CA ASP 213 20.990 27.031 143.861 1.00 1.00 ATOM 247 CA ASP 214 19.618 28.313 147.184 1.00 1.00 ATOM 249 CA PHE 215 21.017 32.246 143.925 1.00 1.00 ATOM 250 CA ALA 216 17.304 31.762 144.654 1.00 1.00 ATOM 251 CA ALA 217 17.299 34.269 147.520 1.00 1.00 ATOM 252 CA GLU 218 19.254 36.902 145.582 1.00 1.00 ATOM 253 CA VAL 219 16.825 36.942 142.644 1.00 1.00 ATOM 254 CA ARG 220 13.834 36.763 144.991 1.00 1.00 ATOM 255 CA ALA 221 13.798 36.165 148.750 1.00 1.00 ATOM 256 CA GLU 222 14.411 33.244 151.092 1.00 1.00 ATOM 257 CA LEU 223 10.659 33.366 151.653 1.00 1.00 ATOM 258 CA ASN 224 10.070 32.457 147.997 1.00 1.00 ATOM 259 CA ILE 225 12.821 29.834 148.135 1.00 1.00 ATOM 260 CA ALA 226 11.367 28.115 151.218 1.00 1.00 ATOM 261 CA PRO 227 7.923 28.131 149.644 1.00 1.00 ATOM 262 CA LYS 228 9.133 26.521 146.424 1.00 1.00 ATOM 263 CA ARG 229 11.193 23.858 148.185 1.00 1.00 ATOM 264 CA TYR 230 8.163 22.979 150.311 1.00 1.00 ATOM 265 CA VAL 231 6.089 22.777 147.132 1.00 1.00 ATOM 266 CA THR 232 8.566 20.754 145.050 1.00 1.00 ATOM 267 CA TYR 233 9.404 18.219 147.766 1.00 1.00 ATOM 268 CA ALA 234 5.823 17.879 148.994 1.00 1.00 ATOM 269 CA ARG 235 4.460 17.063 145.549 1.00 1.00 ATOM 270 CA GLU 236 7.222 14.492 145.059 1.00 1.00 ATOM 271 CA CYS 237 5.977 12.508 148.059 1.00 1.00 ATOM 272 CA PHE 238 2.369 12.892 146.945 1.00 1.00 ATOM 273 CA GLY 239 3.240 11.129 143.690 1.00 1.00 ATOM 274 CA TRP 240 5.425 8.585 145.480 1.00 1.00 ATOM 275 CA GLY 241 2.558 7.483 147.753 1.00 1.00 ATOM 276 CA VAL 242 -0.037 7.656 144.981 1.00 1.00 ATOM 277 CA PHE 243 -2.463 10.376 146.090 1.00 1.00 ATOM 278 CA ALA 244 -1.973 12.067 142.727 1.00 1.00 ATOM 279 CA LEU 245 -1.322 10.791 139.211 1.00 1.00 ATOM 280 CA ILE 246 -0.445 12.257 135.804 1.00 1.00 ATOM 281 CA ALA 247 -1.888 10.960 132.547 1.00 1.00 ATOM 282 CA ARG 248 -1.700 11.469 128.802 1.00 1.00 TER END ################################ # # # END # # # ################################