From mailer@bialko.llnl.gov Mon Aug 12 21:19:08 2002 Date: Mon, 12 Aug 2002 21:19:02 -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 Mon Aug 12 20:50:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_632720_21238 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179SS007_1 Current information on models submitted in prediction T0179SS007 MODEL_INDEX PIN CODE DATE E-mail T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0179 MODEL_INDEX PIN CODE DATE E-mail T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 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: 276 # Number of residues with nonzero confidence: 276 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0179 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-14983.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-21676//target-align-21676.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 110.83 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-14983.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.28826/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Aug 12 18:31:43 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-21676//target-align-21676.a2m METHOD METHOD guide seq name: seed-seqs-14983.a2m(1), 276 bases, C81BB980 checksum. METHOD ###end 0 MODEL 1 M C 0.481 S C 0.442 E C 0.433 L C 0.45 W C 0.387 Y C 0.398 T C 0.436 E C 0.457 K C 0.451 Q C 0.477 T C 0.545 K C 0.492 N C 0.442 F H 0.431 G H 0.423 I H 0.462 T H 0.429 M H 0.367 K H 0.343 V H 0.529 N H 0.566 K H 0.577 T H 0.56 L H 0.525 H H 0.474 T H 0.486 E H 0.448 Q C 0.486 T C 0.573 E C 0.53 F C 0.495 Q C 0.45 H E 0.398 L E 0.534 E E 0.577 M E 0.593 V E 0.55 E E 0.439 T C 0.451 E C 0.546 E C 0.551 F C 0.543 G C 0.538 N E 0.47 M E 0.604 L E 0.64 F E 0.614 L E 0.517 D C 0.514 G C 0.53 M C 0.389 V E 0.472 M E 0.454 T E 0.379 S C 0.466 E C 0.498 K C 0.501 D C 0.507 E H 0.443 F H 0.481 V H 0.495 Y H 0.544 H H 0.577 E H 0.609 M H 0.599 V H 0.574 A H 0.535 H H 0.475 V H 0.425 P C 0.417 L H 0.412 F C 0.41 T C 0.476 H C 0.605 P C 0.652 N C 0.718 P C 0.688 E C 0.547 H E 0.589 V E 0.724 L E 0.739 V E 0.721 V E 0.626 G C 0.542 G C 0.676 G C 0.678 D C 0.534 G H 0.532 G H 0.59 V H 0.624 I H 0.675 R H 0.707 E H 0.707 I H 0.707 L H 0.685 K H 0.621 H C 0.466 P C 0.613 S C 0.604 V C 0.503 K C 0.417 K E 0.513 A E 0.596 T E 0.615 L E 0.618 V E 0.586 D E 0.488 I C 0.438 D C 0.63 G H 0.683 K H 0.696 V H 0.701 I H 0.719 E H 0.734 Y H 0.743 S H 0.737 K H 0.742 K H 0.713 F H 0.648 L H 0.514 P H 0.555 S H 0.571 I H 0.515 A C 0.438 G C 0.521 K C 0.521 L C 0.57 D C 0.622 D C 0.689 P C 0.631 R C 0.506 V E 0.433 D E 0.547 V E 0.596 Q E 0.583 V E 0.493 D C 0.439 D C 0.569 G H 0.528 F H 0.58 M H 0.583 H H 0.541 I H 0.485 A H 0.452 K C 0.461 S C 0.562 E C 0.536 N C 0.564 Q C 0.569 Y C 0.533 D C 0.425 V E 0.638 I E 0.692 M E 0.68 V E 0.593 D C 0.507 S C 0.624 T C 0.644 E C 0.648 P C 0.631 V C 0.602 G C 0.622 P C 0.62 A C 0.526 V H 0.516 N H 0.547 L H 0.581 F H 0.532 T H 0.566 K H 0.717 G H 0.735 F H 0.738 Y H 0.75 A H 0.753 G H 0.748 I H 0.74 A H 0.736 K H 0.719 A H 0.69 L H 0.616 K C 0.596 E C 0.622 D C 0.693 G C 0.614 I E 0.534 F E 0.694 V E 0.697 A E 0.639 Q E 0.533 T C 0.511 D C 0.586 N C 0.605 P C 0.541 W C 0.48 F H 0.44 T H 0.504 P H 0.6 E H 0.642 L H 0.66 I H 0.682 T H 0.693 N H 0.701 V H 0.707 Q H 0.716 R H 0.708 D H 0.697 V H 0.699 K H 0.689 E H 0.67 I H 0.605 F H 0.498 P H 0.488 I H 0.465 T H 0.394 K E 0.336 L E 0.364 Y E 0.421 T E 0.471 A E 0.487 N E 0.471 I E 0.425 P C 0.489 T C 0.51 Y C 0.546 P C 0.62 S C 0.628 G C 0.551 L C 0.416 W E 0.531 T E 0.591 F E 0.623 T E 0.616 I E 0.559 G C 0.413 S C 0.649 K C 0.617 K C 0.553 Y C 0.518 D C 0.568 P C 0.475 L H 0.471 A H 0.544 V H 0.559 E H 0.547 D H 0.56 S H 0.579 R H 0.587 F H 0.585 F H 0.569 D H 0.551 I H 0.503 E H 0.46 T H 0.434 K H 0.378 Y C 0.374 Y C 0.493 T C 0.647 K C 0.466 D H 0.468 I H 0.547 H H 0.545 K H 0.581 A H 0.575 A H 0.589 F H 0.537 V H 0.471 L C 0.469 P H 0.57 K H 0.664 F H 0.656 V H 0.658 S H 0.671 D H 0.675 L H 0.654 I H 0.566 K C 0.561 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 13:47:28 2002 Date: Mon, 19 Aug 2002 13:47:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0179 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 Mon Aug 19 13:19:22 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_338789_28059 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179TS007_1 Current information on models submitted in prediction T0179TS007 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 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 T0179 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 casp5@bialko.llnl.gov T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1INL_B # Loading PARENT structure: 1inl (chain: B) # Number of residues in PARENT structure: 291 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue E 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue F 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue H 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue M 53 # IMPORTANT NOTE! Not complete main chain atoms for residue T 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue K 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue H 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue H 97 # IMPORTANT NOTE! Not complete main chain atoms for residue P 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue M 141 # IMPORTANT NOTE! Not complete main chain atoms for residue H 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue N 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue M 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue T 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 172 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue I 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue P 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue L 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue T 201 # IMPORTANT NOTE! Not complete main chain atoms for residue N 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue N 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue P 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue W 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue G 234 # IMPORTANT NOTE! Not complete main chain atoms for residue S 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue P 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue D 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue R 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue F 249 # IMPORTANT NOTE! Not complete main chain atoms for residue D 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 256 # IMPORTANT NOTE! Not complete main chain atoms for residue T 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue I 260 # IMPORTANT NOTE! Not complete main chain atoms for residue H 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue A 263 # IMPORTANT NOTE! Not complete main chain atoms for residue A 264 # IMPORTANT NOTE! Not complete main chain atoms for residue F 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue F 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue S 272 # IMPORTANT NOTE! Not complete main chain atoms for residue D 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue I 275 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0179 # Total number of residues in target: 276 # Total number of residues in model: 268 # Total number of atoms in model: 268 # Number of atoms with 1.0 occupancy: 268 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 268 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0179 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1INL_B ATOM 17 CA LEU 4 26.285 22.890 24.144 1.00 1.00 ATOM 18 CA TRP 5 28.193 20.923 26.760 1.00 1.00 ATOM 19 CA TYR 6 28.047 19.634 30.317 1.00 1.00 ATOM 20 CA THR 7 31.396 19.330 32.133 1.00 1.00 ATOM 21 CA GLU 8 31.566 17.188 35.275 1.00 1.00 ATOM 22 CA LYS 9 34.735 17.777 37.275 1.00 1.00 ATOM 23 CA GLN 10 35.983 14.964 39.503 1.00 1.00 ATOM 24 CA THR 11 37.408 15.382 43.005 1.00 1.00 ATOM 25 CA LYS 12 40.634 17.325 42.559 1.00 1.00 ATOM 27 CA ASN 13 42.190 17.528 37.270 1.00 1.00 ATOM 28 CA PHE 14 40.009 15.038 35.365 1.00 1.00 ATOM 29 CA GLY 15 36.345 14.993 34.389 1.00 1.00 ATOM 30 CA ILE 16 33.630 13.794 32.040 1.00 1.00 ATOM 31 CA THR 17 31.968 15.868 29.326 1.00 1.00 ATOM 32 CA MET 18 28.598 15.270 27.678 1.00 1.00 ATOM 33 CA LYS 19 26.901 16.841 24.676 1.00 1.00 ATOM 34 CA VAL 20 23.545 18.449 25.476 1.00 1.00 ATOM 35 CA ASN 21 20.785 18.327 22.867 1.00 1.00 ATOM 36 CA LYS 22 18.579 20.357 25.192 1.00 1.00 ATOM 37 CA THR 23 18.232 21.344 28.832 1.00 1.00 ATOM 38 CA LEU 24 14.960 20.100 30.312 1.00 1.00 ATOM 39 CA HIS 25 15.158 21.825 33.688 1.00 1.00 ATOM 40 CA THR 26 17.461 24.091 35.689 1.00 1.00 ATOM 41 CA GLU 27 16.416 24.982 39.216 1.00 1.00 ATOM 42 CA GLN 28 17.906 26.165 42.480 1.00 1.00 ATOM 43 CA THR 29 16.702 25.252 45.965 1.00 1.00 ATOM 44 CA GLU 30 17.911 26.531 49.344 1.00 1.00 ATOM 45 CA PHE 31 20.253 23.526 49.297 1.00 1.00 ATOM 46 CA GLN 32 21.617 23.022 45.781 1.00 1.00 ATOM 47 CA HIS 33 21.313 23.429 42.039 1.00 1.00 ATOM 48 CA LEU 34 19.478 20.889 39.856 1.00 1.00 ATOM 49 CA GLU 35 20.044 20.351 36.137 1.00 1.00 ATOM 50 CA MET 36 18.268 17.852 33.929 1.00 1.00 ATOM 51 CA VAL 37 19.250 17.589 30.262 1.00 1.00 ATOM 52 CA GLU 38 19.195 15.270 27.249 1.00 1.00 ATOM 53 CA THR 39 22.316 13.591 25.840 1.00 1.00 ATOM 54 CA GLU 40 22.047 11.723 22.488 1.00 1.00 ATOM 55 CA GLU 41 23.599 8.525 23.866 1.00 1.00 ATOM 56 CA PHE 42 22.764 8.543 27.572 1.00 1.00 ATOM 57 CA GLY 43 19.240 9.930 27.364 1.00 1.00 ATOM 58 CA ASN 44 17.999 12.073 30.251 1.00 1.00 ATOM 59 CA MET 45 20.801 13.074 32.622 1.00 1.00 ATOM 60 CA LEU 46 20.223 14.398 36.156 1.00 1.00 ATOM 61 CA PHE 47 22.947 16.400 37.923 1.00 1.00 ATOM 62 CA LEU 48 23.181 18.111 41.330 1.00 1.00 ATOM 63 CA ASP 49 25.697 20.951 41.730 1.00 1.00 ATOM 64 CA GLY 50 27.400 19.787 38.534 1.00 1.00 ATOM 65 CA MET 51 27.743 16.177 39.724 1.00 1.00 ATOM 66 CA VAL 52 26.126 13.414 37.645 1.00 1.00 ATOM 67 CA MET 53 23.479 11.583 39.694 1.00 1.00 ATOM 68 CA THR 54 21.571 9.541 37.110 1.00 1.00 ATOM 69 CA SER 55 21.651 8.696 33.435 1.00 1.00 ATOM 70 CA GLU 56 18.734 6.888 31.748 1.00 1.00 ATOM 71 CA LYS 57 21.063 4.535 29.907 1.00 1.00 ATOM 72 CA ASP 58 22.842 3.124 32.953 1.00 1.00 ATOM 73 CA GLU 59 21.202 4.066 36.261 1.00 1.00 ATOM 74 CA PHE 60 20.025 0.451 36.562 1.00 1.00 ATOM 75 CA VAL 61 23.630 -0.647 37.271 1.00 1.00 ATOM 76 CA TYR 62 23.846 1.498 40.376 1.00 1.00 ATOM 77 CA HIS 63 20.314 1.146 41.706 1.00 1.00 ATOM 78 CA GLU 64 20.259 -2.636 41.316 1.00 1.00 ATOM 79 CA MET 65 23.540 -3.191 43.149 1.00 1.00 ATOM 80 CA VAL 66 22.742 -0.769 45.963 1.00 1.00 ATOM 81 CA ALA 67 19.275 -2.222 46.563 1.00 1.00 ATOM 82 CA HIS 68 19.253 -5.913 45.678 1.00 1.00 ATOM 83 CA VAL 69 22.290 -7.044 47.639 1.00 1.00 ATOM 84 CA PRO 70 20.739 -6.169 51.021 1.00 1.00 ATOM 85 CA LEU 71 17.140 -6.888 49.944 1.00 1.00 ATOM 86 CA PHE 72 17.890 -10.475 48.880 1.00 1.00 ATOM 87 CA THR 73 20.075 -11.091 51.943 1.00 1.00 ATOM 88 CA HIS 74 17.290 -10.188 54.362 1.00 1.00 ATOM 89 CA PRO 75 15.027 -13.191 55.169 1.00 1.00 ATOM 90 CA ASN 76 11.767 -11.196 54.882 1.00 1.00 ATOM 91 CA PRO 77 12.183 -7.418 54.317 1.00 1.00 ATOM 92 CA GLU 78 8.932 -5.624 55.140 1.00 1.00 ATOM 93 CA HIS 79 9.955 -2.143 56.317 1.00 1.00 ATOM 94 CA VAL 80 12.677 -0.306 54.398 1.00 1.00 ATOM 95 CA LEU 81 14.231 3.148 54.843 1.00 1.00 ATOM 96 CA VAL 82 16.099 4.798 51.958 1.00 1.00 ATOM 97 CA VAL 83 18.093 7.942 52.746 1.00 1.00 ATOM 98 CA GLY 84 18.929 10.103 49.758 1.00 1.00 ATOM 99 CA GLY 85 17.864 8.701 46.394 1.00 1.00 ATOM 100 CA GLY 86 15.739 11.693 45.447 1.00 1.00 ATOM 101 CA ASP 87 15.507 10.435 41.860 1.00 1.00 ATOM 102 CA GLY 88 13.586 7.366 43.048 1.00 1.00 ATOM 103 CA GLY 89 15.705 4.648 41.431 1.00 1.00 ATOM 104 CA VAL 90 16.565 2.804 44.641 1.00 1.00 ATOM 105 CA ILE 91 12.921 2.987 45.751 1.00 1.00 ATOM 106 CA ARG 92 11.891 1.477 42.396 1.00 1.00 ATOM 107 CA GLU 93 14.237 -1.484 42.885 1.00 1.00 ATOM 108 CA ILE 94 13.170 -1.987 46.520 1.00 1.00 ATOM 109 CA LEU 95 9.492 -2.068 45.493 1.00 1.00 ATOM 110 CA LYS 96 10.160 -5.058 43.219 1.00 1.00 ATOM 111 CA HIS 97 10.363 -7.211 46.366 1.00 1.00 ATOM 112 CA PRO 98 6.855 -8.484 47.167 1.00 1.00 ATOM 113 CA SER 99 7.585 -8.737 50.898 1.00 1.00 ATOM 114 CA VAL 100 7.866 -4.941 51.174 1.00 1.00 ATOM 115 CA LYS 101 4.953 -3.377 53.064 1.00 1.00 ATOM 116 CA LYS 102 6.423 0.095 53.596 1.00 1.00 ATOM 117 CA ALA 103 9.352 1.863 51.951 1.00 1.00 ATOM 118 CA THR 104 10.214 5.318 53.268 1.00 1.00 ATOM 119 CA LEU 105 12.175 7.629 50.985 1.00 1.00 ATOM 120 CA VAL 106 13.828 10.321 53.095 1.00 1.00 ATOM 121 CA ASP 107 15.016 13.212 50.917 1.00 1.00 ATOM 122 CA ILE 108 16.453 16.450 52.315 1.00 1.00 ATOM 123 CA ASP 109 15.487 18.619 49.313 1.00 1.00 ATOM 124 CA GLY 110 11.828 18.919 48.333 1.00 1.00 ATOM 125 CA LYS 111 12.764 20.448 44.978 1.00 1.00 ATOM 126 CA VAL 112 14.635 17.260 44.049 1.00 1.00 ATOM 127 CA ILE 113 11.483 15.197 44.673 1.00 1.00 ATOM 128 CA GLU 114 9.317 17.582 42.651 1.00 1.00 ATOM 129 CA TYR 115 11.783 17.734 39.755 1.00 1.00 ATOM 130 CA SER 116 12.154 13.943 39.762 1.00 1.00 ATOM 131 CA LYS 117 8.384 13.438 39.776 1.00 1.00 ATOM 132 CA LYS 118 7.997 15.705 36.750 1.00 1.00 ATOM 133 CA PHE 119 11.141 15.064 34.697 1.00 1.00 ATOM 134 CA LEU 120 12.684 11.741 35.782 1.00 1.00 ATOM 135 CA PRO 121 9.819 9.325 35.112 1.00 1.00 ATOM 136 CA SER 122 12.084 6.295 34.617 1.00 1.00 ATOM 137 CA ILE 123 13.278 6.477 38.220 1.00 1.00 ATOM 138 CA ALA 124 10.398 8.252 39.996 1.00 1.00 ATOM 139 CA GLY 125 7.746 5.724 38.914 1.00 1.00 ATOM 140 CA LYS 126 7.474 4.384 42.462 1.00 1.00 ATOM 141 CA LEU 127 6.580 7.734 44.077 1.00 1.00 ATOM 142 CA ASP 128 2.861 6.967 43.708 1.00 1.00 ATOM 143 CA ASP 129 3.084 3.377 45.006 1.00 1.00 ATOM 144 CA PRO 130 0.915 3.030 48.165 1.00 1.00 ATOM 145 CA ARG 131 3.838 1.308 49.908 1.00 1.00 ATOM 146 CA VAL 132 6.070 4.329 49.357 1.00 1.00 ATOM 147 CA ASP 133 6.166 7.240 51.786 1.00 1.00 ATOM 148 CA VAL 134 8.210 10.295 50.823 1.00 1.00 ATOM 149 CA GLN 135 9.543 12.332 53.742 1.00 1.00 ATOM 150 CA VAL 136 11.335 15.658 53.326 1.00 1.00 ATOM 151 CA ASP 137 13.938 15.645 56.088 1.00 1.00 ATOM 152 CA ASP 138 17.629 15.390 56.928 1.00 1.00 ATOM 153 CA GLY 139 18.292 11.641 57.031 1.00 1.00 ATOM 154 CA PHE 140 20.629 11.917 60.020 1.00 1.00 ATOM 155 CA MET 141 17.885 13.608 62.053 1.00 1.00 ATOM 156 CA HIS 142 15.091 11.389 60.733 1.00 1.00 ATOM 157 CA ILE 143 16.670 7.989 61.401 1.00 1.00 ATOM 158 CA ALA 144 17.369 8.756 65.070 1.00 1.00 ATOM 159 CA LYS 145 13.609 8.971 65.708 1.00 1.00 ATOM 160 CA SER 146 13.382 5.197 65.272 1.00 1.00 ATOM 161 CA GLU 147 14.466 2.205 67.343 1.00 1.00 ATOM 162 CA ASN 148 14.112 -1.472 66.352 1.00 1.00 ATOM 163 CA GLN 149 11.867 -0.439 63.450 1.00 1.00 ATOM 164 CA TYR 150 13.393 -1.224 60.052 1.00 1.00 ATOM 165 CA ASP 151 14.414 -4.440 58.316 1.00 1.00 ATOM 166 CA VAL 152 16.623 -2.676 55.761 1.00 1.00 ATOM 167 CA ILE 153 18.323 0.734 55.620 1.00 1.00 ATOM 168 CA MET 154 19.935 1.959 52.394 1.00 1.00 ATOM 169 CA VAL 155 22.036 5.123 52.073 1.00 1.00 ATOM 170 CA ASP 156 21.935 6.540 48.520 1.00 1.00 ATOM 171 CA SER 157 24.090 9.418 47.137 1.00 1.00 ATOM 172 CA THR 158 21.840 12.366 46.195 1.00 1.00 ATOM 173 CA GLU 159 21.844 14.122 49.594 1.00 1.00 ATOM 174 CA PRO 160 24.665 16.566 50.494 1.00 1.00 ATOM 176 CA VAL 161 29.058 19.362 53.626 1.00 1.00 ATOM 181 CA ASN 166 26.120 14.295 58.432 1.00 1.00 ATOM 182 CA LEU 167 25.140 11.088 56.615 1.00 1.00 ATOM 183 CA PHE 168 28.613 9.630 57.151 1.00 1.00 ATOM 184 CA THR 169 29.547 10.019 60.838 1.00 1.00 ATOM 185 CA LYS 170 30.010 7.120 63.273 1.00 1.00 ATOM 186 CA GLY 171 27.017 8.396 65.259 1.00 1.00 ATOM 187 CA PHE 172 24.880 8.424 62.106 1.00 1.00 ATOM 188 CA TYR 173 25.764 4.798 61.399 1.00 1.00 ATOM 189 CA ALA 174 25.061 3.974 65.054 1.00 1.00 ATOM 190 CA GLY 175 21.632 5.614 64.675 1.00 1.00 ATOM 191 CA ILE 176 21.049 3.418 61.616 1.00 1.00 ATOM 192 CA ALA 177 22.121 0.370 63.623 1.00 1.00 ATOM 193 CA LYS 178 19.745 1.268 66.464 1.00 1.00 ATOM 194 CA ALA 179 16.876 1.937 64.031 1.00 1.00 ATOM 195 CA LEU 180 17.239 -1.548 62.529 1.00 1.00 ATOM 196 CA LYS 181 15.665 -4.667 64.020 1.00 1.00 ATOM 197 CA GLU 182 17.771 -7.505 65.494 1.00 1.00 ATOM 198 CA ASP 183 18.249 -9.155 62.091 1.00 1.00 ATOM 199 CA GLY 184 18.313 -5.975 60.029 1.00 1.00 ATOM 200 CA ILE 185 20.585 -5.319 57.056 1.00 1.00 ATOM 201 CA PHE 186 22.192 -2.216 55.569 1.00 1.00 ATOM 202 CA VAL 187 23.891 -0.917 52.434 1.00 1.00 ATOM 203 CA ALA 188 25.497 2.425 51.686 1.00 1.00 ATOM 204 CA GLN 189 27.042 3.674 48.483 1.00 1.00 ATOM 205 CA THR 190 30.704 4.287 49.340 1.00 1.00 ATOM 206 CA ASP 191 31.973 5.725 46.055 1.00 1.00 ATOM 207 CA ASN 192 35.045 5.109 43.909 1.00 1.00 ATOM 208 CA PRO 193 38.299 3.900 45.504 1.00 1.00 ATOM 209 CA TRP 194 40.197 6.075 43.006 1.00 1.00 ATOM 210 CA PHE 195 39.406 9.821 42.935 1.00 1.00 ATOM 211 CA THR 196 37.469 9.513 46.188 1.00 1.00 ATOM 212 CA PRO 197 39.779 7.110 48.039 1.00 1.00 ATOM 213 CA GLU 198 39.898 9.341 51.125 1.00 1.00 ATOM 214 CA LEU 199 36.143 9.248 51.655 1.00 1.00 ATOM 215 CA ILE 200 35.985 5.551 50.739 1.00 1.00 ATOM 216 CA THR 201 38.410 4.653 53.538 1.00 1.00 ATOM 217 CA ASN 202 36.656 6.916 56.038 1.00 1.00 ATOM 218 CA VAL 203 33.211 5.463 55.316 1.00 1.00 ATOM 219 CA GLN 204 34.430 1.868 55.628 1.00 1.00 ATOM 220 CA ARG 205 36.215 2.616 58.903 1.00 1.00 ATOM 221 CA ASP 206 33.183 4.314 60.444 1.00 1.00 ATOM 222 CA VAL 207 30.655 1.697 59.319 1.00 1.00 ATOM 223 CA LYS 208 32.967 -1.095 60.534 1.00 1.00 ATOM 224 CA GLU 209 33.108 0.451 64.017 1.00 1.00 ATOM 225 CA ILE 210 29.331 0.000 64.307 1.00 1.00 ATOM 226 CA PHE 211 28.267 -3.088 62.328 1.00 1.00 ATOM 227 CA PRO 212 29.802 -6.502 63.225 1.00 1.00 ATOM 228 CA ILE 213 29.444 -7.537 59.590 1.00 1.00 ATOM 229 CA THR 214 30.824 -4.833 57.270 1.00 1.00 ATOM 230 CA LYS 215 31.753 -5.937 53.736 1.00 1.00 ATOM 231 CA LEU 216 32.625 -3.874 50.687 1.00 1.00 ATOM 232 CA TYR 217 31.274 -4.915 47.298 1.00 1.00 ATOM 233 CA THR 218 31.977 -3.474 43.858 1.00 1.00 ATOM 234 CA ALA 219 30.022 -2.780 40.720 1.00 1.00 ATOM 235 CA ASN 220 30.402 -1.160 37.335 1.00 1.00 ATOM 236 CA ILE 221 28.816 2.276 36.990 1.00 1.00 ATOM 237 CA PRO 222 29.480 3.467 33.474 1.00 1.00 ATOM 238 CA THR 223 28.918 7.190 34.061 1.00 1.00 ATOM 239 CA TYR 224 30.161 7.681 37.640 1.00 1.00 ATOM 240 CA PRO 225 33.752 8.870 38.350 1.00 1.00 ATOM 241 CA SER 226 36.276 6.141 37.358 1.00 1.00 ATOM 242 CA GLY 227 33.533 3.639 36.564 1.00 1.00 ATOM 243 CA LEU 228 34.505 1.594 39.630 1.00 1.00 ATOM 244 CA TRP 229 31.859 2.038 42.304 1.00 1.00 ATOM 245 CA THR 230 31.866 0.643 45.819 1.00 1.00 ATOM 246 CA PHE 231 29.031 -0.178 48.174 1.00 1.00 ATOM 247 CA THR 232 29.254 -1.321 51.769 1.00 1.00 ATOM 248 CA ILE 233 26.966 -4.067 53.037 1.00 1.00 ATOM 249 CA GLY 234 26.494 -4.263 56.782 1.00 1.00 ATOM 250 CA SER 235 24.458 -6.326 59.223 1.00 1.00 ATOM 251 CA LYS 236 24.149 -7.618 62.766 1.00 1.00 ATOM 252 CA LYS 237 25.022 -11.176 61.777 1.00 1.00 ATOM 253 CA TYR 238 23.843 -12.030 58.257 1.00 1.00 ATOM 254 CA ASP 239 26.889 -12.858 56.098 1.00 1.00 ATOM 255 CA PRO 240 26.641 -11.613 52.478 1.00 1.00 ATOM 259 CA LEU 241 23.107 -15.892 50.461 1.00 1.00 ATOM 260 CA ALA 242 20.403 -18.005 48.807 1.00 1.00 ATOM 261 CA VAL 243 20.905 -18.006 44.989 1.00 1.00 ATOM 262 CA GLU 244 17.480 -19.603 44.518 1.00 1.00 ATOM 263 CA ASP 245 15.716 -16.452 45.746 1.00 1.00 ATOM 264 CA SER 246 17.355 -14.573 42.873 1.00 1.00 ATOM 265 CA ARG 247 16.883 -17.312 40.280 1.00 1.00 ATOM 266 CA PHE 248 13.149 -17.480 41.067 1.00 1.00 ATOM 267 CA PHE 249 12.679 -13.685 41.285 1.00 1.00 ATOM 268 CA ASP 250 9.533 -12.565 39.438 1.00 1.00 ATOM 269 CA ILE 251 10.777 -9.113 38.392 1.00 1.00 ATOM 270 CA GLU 252 13.140 -7.725 35.764 1.00 1.00 ATOM 271 CA THR 253 16.841 -7.368 36.580 1.00 1.00 ATOM 272 CA LYS 254 19.189 -5.837 34.011 1.00 1.00 ATOM 273 CA TYR 255 22.428 -6.159 36.006 1.00 1.00 ATOM 274 CA TYR 256 22.109 -8.105 39.256 1.00 1.00 ATOM 275 CA THR 257 22.097 -11.915 39.318 1.00 1.00 ATOM 276 CA LYS 258 23.311 -14.699 41.627 1.00 1.00 ATOM 277 CA ASP 259 26.841 -14.947 40.200 1.00 1.00 ATOM 278 CA ILE 260 27.271 -11.172 40.266 1.00 1.00 ATOM 279 CA HIS 261 26.133 -11.020 43.906 1.00 1.00 ATOM 280 CA LYS 262 28.964 -13.295 45.031 1.00 1.00 ATOM 281 CA ALA 263 31.517 -11.893 42.578 1.00 1.00 ATOM 282 CA ALA 264 30.947 -8.293 43.678 1.00 1.00 ATOM 283 CA PHE 265 32.569 -9.083 47.030 1.00 1.00 ATOM 284 CA VAL 266 35.906 -10.038 45.446 1.00 1.00 ATOM 285 CA LEU 267 38.203 -7.055 45.944 1.00 1.00 ATOM 286 CA PRO 268 41.290 -6.308 43.816 1.00 1.00 ATOM 287 CA LYS 269 44.581 -6.128 45.736 1.00 1.00 ATOM 288 CA PHE 270 44.846 -2.326 45.710 1.00 1.00 ATOM 289 CA VAL 271 41.414 -2.011 47.337 1.00 1.00 ATOM 290 CA SER 272 42.302 -4.626 49.970 1.00 1.00 ATOM 291 CA ASP 273 45.504 -2.700 50.720 1.00 1.00 ATOM 292 CA LEU 274 43.600 0.575 51.171 1.00 1.00 ATOM 293 CA ILE 275 41.234 -1.083 53.658 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 13:51:19 2002 Date: Mon, 19 Aug 2002 13:51:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0179 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 Mon Aug 19 13:23:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_378869_28071 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179TS007_2 Current information on models submitted in prediction T0179TS007 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 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 T0179 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 casp5@bialko.llnl.gov T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1INL_C # Loading PARENT structure: 1inl (chain: C) # Number of residues in PARENT structure: 293 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue E 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue F 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue H 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue M 53 # IMPORTANT NOTE! Not complete main chain atoms for residue T 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue K 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue H 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue H 97 # IMPORTANT NOTE! Not complete main chain atoms for residue P 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue M 141 # IMPORTANT NOTE! Not complete main chain atoms for residue H 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue N 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue M 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # IMPORTANT NOTE! Not complete main chain atoms for residue P 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue N 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue T 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 172 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue I 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue P 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue L 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue T 201 # IMPORTANT NOTE! Not complete main chain atoms for residue N 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue N 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue P 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue W 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue G 234 # IMPORTANT NOTE! Not complete main chain atoms for residue S 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue P 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue D 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue R 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue F 249 # IMPORTANT NOTE! Not complete main chain atoms for residue D 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 256 # IMPORTANT NOTE! Not complete main chain atoms for residue T 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue I 260 # IMPORTANT NOTE! Not complete main chain atoms for residue H 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue A 263 # IMPORTANT NOTE! Not complete main chain atoms for residue A 264 # IMPORTANT NOTE! Not complete main chain atoms for residue F 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue F 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue S 272 # IMPORTANT NOTE! Not complete main chain atoms for residue D 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue I 275 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0179 # Total number of residues in target: 276 # Total number of residues in model: 272 # Total number of atoms in model: 272 # Number of atoms with 1.0 occupancy: 272 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 272 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0179 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1INL_C ATOM 17 CA LEU 4 45.841 23.276 29.192 1.00 1.00 ATOM 18 CA TRP 5 43.563 20.334 28.471 1.00 1.00 ATOM 19 CA TYR 6 43.371 16.981 26.732 1.00 1.00 ATOM 20 CA THR 7 39.919 15.946 25.459 1.00 1.00 ATOM 21 CA GLU 8 39.161 12.320 24.572 1.00 1.00 ATOM 22 CA LYS 9 35.984 11.533 22.651 1.00 1.00 ATOM 23 CA GLN 10 34.242 8.196 23.106 1.00 1.00 ATOM 24 CA THR 11 32.569 6.259 20.292 1.00 1.00 ATOM 25 CA LYS 12 29.562 8.264 19.132 1.00 1.00 ATOM 27 CA ASN 13 28.511 12.477 22.554 1.00 1.00 ATOM 28 CA PHE 14 30.509 11.752 25.712 1.00 1.00 ATOM 29 CA GLY 15 34.192 11.909 26.595 1.00 1.00 ATOM 30 CA ILE 16 36.881 12.449 29.203 1.00 1.00 ATOM 31 CA THR 17 38.971 15.564 29.785 1.00 1.00 ATOM 32 CA MET 18 42.286 15.776 31.621 1.00 1.00 ATOM 33 CA LYS 19 44.334 18.733 32.812 1.00 1.00 ATOM 34 CA VAL 20 47.878 18.855 31.415 1.00 1.00 ATOM 35 CA ASN 21 50.689 20.220 33.566 1.00 1.00 ATOM 36 CA LYS 22 53.047 19.706 30.627 1.00 1.00 ATOM 37 CA THR 23 53.350 17.875 27.325 1.00 1.00 ATOM 38 CA LEU 24 56.284 15.458 27.488 1.00 1.00 ATOM 39 CA HIS 25 56.267 14.299 23.872 1.00 1.00 ATOM 40 CA THR 26 54.238 14.742 20.707 1.00 1.00 ATOM 41 CA GLU 27 55.210 12.731 17.660 1.00 1.00 ATOM 42 CA GLN 28 53.760 11.616 14.349 1.00 1.00 ATOM 43 CA THR 29 54.662 8.352 12.640 1.00 1.00 ATOM 44 CA GLU 30 53.512 7.149 9.223 1.00 1.00 ATOM 45 CA PHE 31 50.739 5.311 11.093 1.00 1.00 ATOM 46 CA GLN 32 49.483 7.522 13.933 1.00 1.00 ATOM 47 CA HIS 33 49.997 10.433 16.309 1.00 1.00 ATOM 48 CA LEU 34 51.480 9.930 19.774 1.00 1.00 ATOM 49 CA GLU 35 50.928 12.307 22.688 1.00 1.00 ATOM 50 CA MET 36 52.444 11.837 26.122 1.00 1.00 ATOM 51 CA VAL 37 51.673 14.350 28.858 1.00 1.00 ATOM 52 CA GLU 38 51.589 14.791 32.616 1.00 1.00 ATOM 53 CA THR 39 48.321 15.016 34.592 1.00 1.00 ATOM 54 CA GLU 40 48.397 16.028 38.297 1.00 1.00 ATOM 55 CA GLU 41 46.342 13.005 39.387 1.00 1.00 ATOM 56 CA PHE 42 47.032 10.328 36.775 1.00 1.00 ATOM 57 CA GLY 43 50.715 11.025 36.195 1.00 1.00 ATOM 58 CA ASN 44 52.118 10.263 32.753 1.00 1.00 ATOM 59 CA MET 45 49.372 9.697 30.184 1.00 1.00 ATOM 60 CA LEU 46 49.958 8.100 26.777 1.00 1.00 ATOM 61 CA PHE 47 47.470 8.684 23.960 1.00 1.00 ATOM 62 CA LEU 48 47.338 7.477 20.348 1.00 1.00 ATOM 63 CA ASP 49 45.276 9.566 17.919 1.00 1.00 ATOM 64 CA GLY 50 43.472 11.155 20.862 1.00 1.00 ATOM 65 CA MET 51 42.593 7.828 22.523 1.00 1.00 ATOM 66 CA VAL 52 43.929 7.129 26.019 1.00 1.00 ATOM 67 CA MET 53 46.158 4.041 25.977 1.00 1.00 ATOM 68 CA THR 54 47.872 4.113 29.376 1.00 1.00 ATOM 69 CA SER 55 47.934 6.142 32.565 1.00 1.00 ATOM 70 CA GLU 56 50.614 5.670 35.247 1.00 1.00 ATOM 71 CA LYS 57 48.076 5.584 38.057 1.00 1.00 ATOM 72 CA ASP 58 45.975 2.721 36.738 1.00 1.00 ATOM 73 CA GLU 59 47.553 0.839 33.830 1.00 1.00 ATOM 74 CA PHE 60 48.169 -2.083 36.201 1.00 1.00 ATOM 75 CA VAL 61 44.427 -2.898 36.251 1.00 1.00 ATOM 76 CA TYR 62 44.339 -3.526 32.522 1.00 1.00 ATOM 77 CA HIS 63 47.707 -5.200 32.062 1.00 1.00 ATOM 78 CA GLU 64 47.242 -7.596 34.992 1.00 1.00 ATOM 79 CA MET 65 43.833 -8.814 33.850 1.00 1.00 ATOM 80 CA VAL 66 44.841 -9.187 30.217 1.00 1.00 ATOM 81 CA ALA 67 47.998 -11.134 31.085 1.00 1.00 ATOM 82 CA HIS 68 47.524 -13.071 34.315 1.00 1.00 ATOM 83 CA VAL 69 44.250 -14.799 33.530 1.00 1.00 ATOM 84 CA PRO 70 45.692 -16.810 30.601 1.00 1.00 ATOM 85 CA LEU 71 49.184 -17.120 32.117 1.00 1.00 ATOM 86 CA PHE 72 47.975 -18.753 35.354 1.00 1.00 ATOM 87 CA THR 73 45.577 -21.028 33.449 1.00 1.00 ATOM 88 CA HIS 74 48.309 -22.516 31.267 1.00 1.00 ATOM 89 CA PRO 75 50.106 -25.588 32.754 1.00 1.00 ATOM 90 CA ASN 76 53.629 -24.314 31.968 1.00 1.00 ATOM 91 CA PRO 77 53.768 -21.205 29.725 1.00 1.00 ATOM 92 CA GLU 78 57.221 -21.043 28.147 1.00 1.00 ATOM 93 CA HIS 79 56.660 -19.280 24.810 1.00 1.00 ATOM 94 CA VAL 80 54.378 -16.252 24.688 1.00 1.00 ATOM 95 CA LEU 81 53.383 -13.938 21.836 1.00 1.00 ATOM 96 CA VAL 82 51.896 -10.512 22.579 1.00 1.00 ATOM 97 CA VAL 83 50.386 -8.588 19.675 1.00 1.00 ATOM 98 CA GLY 84 49.999 -4.846 20.181 1.00 1.00 ATOM 99 CA GLY 85 50.645 -3.050 23.468 1.00 1.00 ATOM 100 CA GLY 86 53.715 -1.089 22.410 1.00 1.00 ATOM 101 CA ASP 87 53.796 0.554 25.841 1.00 1.00 ATOM 102 CA GLY 88 55.092 -2.764 27.204 1.00 1.00 ATOM 103 CA GLY 89 52.751 -3.269 30.162 1.00 1.00 ATOM 104 CA VAL 90 51.488 -6.698 29.145 1.00 1.00 ATOM 105 CA ILE 91 55.056 -7.823 28.451 1.00 1.00 ATOM 106 CA ARG 92 56.054 -6.667 31.948 1.00 1.00 ATOM 107 CA GLU 93 53.303 -8.795 33.520 1.00 1.00 ATOM 108 CA ILE 94 54.056 -11.842 31.356 1.00 1.00 ATOM 109 CA LEU 95 57.734 -11.684 32.359 1.00 1.00 ATOM 110 CA LYS 96 56.766 -12.034 36.034 1.00 1.00 ATOM 111 CA HIS 97 56.084 -15.711 35.326 1.00 1.00 ATOM 112 CA PRO 98 59.292 -17.687 35.879 1.00 1.00 ATOM 113 CA SER 99 58.247 -20.387 33.402 1.00 1.00 ATOM 114 CA VAL 100 58.542 -17.925 30.508 1.00 1.00 ATOM 115 CA LYS 101 61.601 -18.591 28.353 1.00 1.00 ATOM 116 CA LYS 102 60.666 -16.417 25.382 1.00 1.00 ATOM 117 CA ALA 103 58.175 -13.563 25.118 1.00 1.00 ATOM 118 CA THR 104 57.708 -11.787 21.798 1.00 1.00 ATOM 119 CA LEU 105 56.147 -8.327 21.616 1.00 1.00 ATOM 120 CA VAL 106 54.862 -7.621 18.104 1.00 1.00 ATOM 121 CA ASP 107 54.205 -3.892 17.614 1.00 1.00 ATOM 122 CA ILE 108 53.328 -2.362 14.238 1.00 1.00 ATOM 123 CA ASP 109 54.701 1.123 14.994 1.00 1.00 ATOM 124 CA GLY 110 58.394 1.483 15.777 1.00 1.00 ATOM 125 CA LYS 111 57.877 5.061 16.992 1.00 1.00 ATOM 126 CA VAL 112 55.632 3.754 19.788 1.00 1.00 ATOM 127 CA ILE 113 58.438 1.456 20.979 1.00 1.00 ATOM 128 CA GLU 114 61.006 4.264 20.854 1.00 1.00 ATOM 129 CA TYR 115 58.704 6.691 22.679 1.00 1.00 ATOM 130 CA SER 116 57.882 4.057 25.314 1.00 1.00 ATOM 131 CA LYS 117 61.582 3.470 26.023 1.00 1.00 ATOM 132 CA LYS 118 62.194 7.147 26.722 1.00 1.00 ATOM 133 CA PHE 119 58.934 8.324 28.257 1.00 1.00 ATOM 134 CA LEU 120 56.939 5.315 29.480 1.00 1.00 ATOM 135 CA PRO 121 59.484 3.591 31.719 1.00 1.00 ATOM 136 CA SER 122 56.852 2.208 34.113 1.00 1.00 ATOM 137 CA ILE 123 55.511 -0.013 31.326 1.00 1.00 ATOM 138 CA ALA 124 58.572 -0.445 29.076 1.00 1.00 ATOM 139 CA GLY 125 60.816 -1.845 31.825 1.00 1.00 ATOM 140 CA LYS 126 60.762 -5.363 30.348 1.00 1.00 ATOM 141 CA LEU 127 61.820 -4.464 26.787 1.00 1.00 ATOM 142 CA ASP 128 65.424 -5.472 27.460 1.00 1.00 ATOM 143 CA ASP 129 64.777 -8.678 29.416 1.00 1.00 ATOM 144 CA PRO 130 67.006 -11.421 27.898 1.00 1.00 ATOM 145 CA ARG 131 63.842 -13.485 27.327 1.00 1.00 ATOM 146 CA VAL 132 62.080 -10.679 25.452 1.00 1.00 ATOM 147 CA ASP 133 62.126 -10.006 21.719 1.00 1.00 ATOM 148 CA VAL 134 60.552 -6.928 20.157 1.00 1.00 ATOM 149 CA GLN 135 59.404 -7.303 16.556 1.00 1.00 ATOM 150 CA VAL 136 58.132 -4.408 14.446 1.00 1.00 ATOM 151 CA ASP 137 55.476 -5.951 12.212 1.00 1.00 ATOM 152 CA ASP 138 51.766 -6.260 11.473 1.00 1.00 ATOM 153 CA GLY 139 50.421 -8.833 13.933 1.00 1.00 ATOM 154 CA PHE 140 48.022 -10.479 11.477 1.00 1.00 ATOM 155 CA MET 141 50.872 -11.143 9.045 1.00 1.00 ATOM 156 CA HIS 142 53.419 -12.095 11.711 1.00 1.00 ATOM 157 CA ILE 143 51.343 -14.742 13.500 1.00 1.00 ATOM 158 CA ALA 144 50.770 -16.597 10.197 1.00 1.00 ATOM 159 CA LYS 145 54.487 -17.425 10.037 1.00 1.00 ATOM 160 CA SER 146 54.017 -19.827 12.958 1.00 1.00 ATOM 161 CA GLU 147 52.336 -23.191 13.533 1.00 1.00 ATOM 162 CA ASN 148 52.237 -25.192 16.802 1.00 1.00 ATOM 163 CA GLN 149 54.737 -22.721 18.290 1.00 1.00 ATOM 164 CA TYR 150 53.284 -20.753 21.215 1.00 1.00 ATOM 165 CA ASP 151 51.837 -21.643 24.604 1.00 1.00 ATOM 166 CA VAL 152 50.057 -18.296 25.040 1.00 1.00 ATOM 167 CA ILE 153 48.918 -15.577 22.634 1.00 1.00 ATOM 168 CA MET 154 47.648 -12.254 23.980 1.00 1.00 ATOM 169 CA VAL 155 46.069 -9.552 21.802 1.00 1.00 ATOM 170 CA ASP 156 46.555 -6.134 23.409 1.00 1.00 ATOM 171 CA SER 157 45.438 -2.766 21.963 1.00 1.00 ATOM 172 CA THR 158 45.872 -2.480 18.193 1.00 1.00 ATOM 173 CA GLU 159 44.517 0.107 15.744 1.00 1.00 ATOM 174 CA PRO 160 41.890 1.647 18.093 1.00 1.00 ATOM 176 CA VAL 161 39.706 1.107 13.056 1.00 1.00 ATOM 177 CA GLY 162 37.193 -0.362 15.481 1.00 1.00 ATOM 178 CA PRO 163 35.582 -3.736 14.807 1.00 1.00 ATOM 179 CA ALA 164 36.697 -3.576 11.184 1.00 1.00 ATOM 180 CA VAL 165 40.344 -3.828 12.209 1.00 1.00 ATOM 181 CA ASN 166 42.698 -6.534 10.963 1.00 1.00 ATOM 182 CA LEU 167 43.174 -8.026 14.435 1.00 1.00 ATOM 183 CA PHE 168 39.465 -8.740 14.891 1.00 1.00 ATOM 184 CA THR 169 38.859 -11.039 11.915 1.00 1.00 ATOM 185 CA LYS 170 38.016 -14.748 12.025 1.00 1.00 ATOM 186 CA GLY 171 41.011 -15.356 9.735 1.00 1.00 ATOM 187 CA PHE 172 43.320 -13.720 12.284 1.00 1.00 ATOM 188 CA TYR 173 41.854 -15.670 15.200 1.00 1.00 ATOM 189 CA ALA 174 42.251 -18.888 13.195 1.00 1.00 ATOM 190 CA GLY 175 45.904 -17.990 12.568 1.00 1.00 ATOM 191 CA ILE 176 46.317 -17.528 16.328 1.00 1.00 ATOM 192 CA ALA 177 44.697 -20.918 16.955 1.00 1.00 ATOM 193 CA LYS 178 47.056 -22.507 14.413 1.00 1.00 ATOM 194 CA ALA 179 50.124 -20.773 15.902 1.00 1.00 ATOM 195 CA LEU 180 49.287 -22.142 19.354 1.00 1.00 ATOM 196 CA LYS 181 50.336 -25.569 20.576 1.00 1.00 ATOM 197 CA GLU 182 47.805 -28.344 21.305 1.00 1.00 ATOM 198 CA ASP 183 47.094 -27.057 24.830 1.00 1.00 ATOM 199 CA GLY 184 47.609 -23.362 24.158 1.00 1.00 ATOM 200 CA ILE 185 45.609 -20.523 25.689 1.00 1.00 ATOM 201 CA PHE 186 44.605 -17.083 24.448 1.00 1.00 ATOM 202 CA VAL 187 43.326 -13.733 25.683 1.00 1.00 ATOM 203 CA ALA 188 42.275 -10.593 23.856 1.00 1.00 ATOM 204 CA GLN 189 41.115 -7.189 25.014 1.00 1.00 ATOM 205 CA THR 190 37.543 -6.957 23.737 1.00 1.00 ATOM 206 CA ASP 191 36.478 -3.392 24.537 1.00 1.00 ATOM 207 CA ASN 192 33.806 -1.859 26.734 1.00 1.00 ATOM 208 CA PRO 193 30.295 -3.385 26.487 1.00 1.00 ATOM 209 CA TRP 194 28.760 0.106 26.659 1.00 1.00 ATOM 210 CA PHE 195 29.931 2.622 24.030 1.00 1.00 ATOM 211 CA THR 196 31.460 -0.189 21.963 1.00 1.00 ATOM 212 CA PRO 197 28.915 -2.958 22.493 1.00 1.00 ATOM 213 CA GLU 198 28.848 -3.958 18.815 1.00 1.00 ATOM 214 CA LEU 199 32.635 -4.335 18.623 1.00 1.00 ATOM 215 CA ILE 200 32.597 -6.350 21.866 1.00 1.00 ATOM 216 CA THR 201 29.948 -8.727 20.462 1.00 1.00 ATOM 217 CA ASN 202 31.784 -9.133 17.156 1.00 1.00 ATOM 218 CA VAL 203 35.075 -10.031 18.854 1.00 1.00 ATOM 219 CA GLN 204 33.401 -12.619 21.088 1.00 1.00 ATOM 220 CA ARG 205 31.465 -14.106 18.150 1.00 1.00 ATOM 221 CA ASP 206 34.512 -14.476 15.905 1.00 1.00 ATOM 222 CA VAL 207 36.775 -15.864 18.630 1.00 1.00 ATOM 223 CA LYS 208 34.032 -18.361 19.559 1.00 1.00 ATOM 224 CA GLU 209 33.826 -19.637 15.966 1.00 1.00 ATOM 225 CA ILE 210 37.482 -20.691 16.220 1.00 1.00 ATOM 226 CA PHE 211 38.129 -21.801 19.818 1.00 1.00 ATOM 227 CA PRO 212 36.097 -24.558 21.548 1.00 1.00 ATOM 228 CA ILE 213 36.409 -22.696 24.861 1.00 1.00 ATOM 229 CA THR 214 35.629 -18.969 24.742 1.00 1.00 ATOM 230 CA LYS 215 34.720 -17.002 27.871 1.00 1.00 ATOM 231 CA LEU 216 34.338 -13.297 28.549 1.00 1.00 ATOM 232 CA TYR 217 35.740 -11.829 31.752 1.00 1.00 ATOM 233 CA THR 218 35.457 -8.278 33.042 1.00 1.00 ATOM 234 CA ALA 219 37.650 -5.824 34.861 1.00 1.00 ATOM 235 CA ASN 220 37.668 -2.266 36.115 1.00 1.00 ATOM 236 CA ILE 221 39.764 0.163 34.078 1.00 1.00 ATOM 237 CA PRO 222 39.458 3.568 35.726 1.00 1.00 ATOM 238 CA THR 223 40.530 5.669 32.719 1.00 1.00 ATOM 239 CA TYR 224 39.128 3.697 29.761 1.00 1.00 ATOM 240 CA PRO 225 35.702 4.557 28.217 1.00 1.00 ATOM 241 CA SER 226 32.891 3.623 30.661 1.00 1.00 ATOM 242 CA GLY 227 35.313 2.063 33.152 1.00 1.00 ATOM 243 CA LEU 228 33.935 -1.394 32.343 1.00 1.00 ATOM 244 CA TRP 229 36.432 -3.366 30.283 1.00 1.00 ATOM 245 CA THR 230 36.044 -6.805 28.769 1.00 1.00 ATOM 246 CA PHE 231 38.565 -9.463 27.849 1.00 1.00 ATOM 247 CA THR 232 37.973 -12.766 26.111 1.00 1.00 ATOM 248 CA ILE 233 39.753 -15.915 27.224 1.00 1.00 ATOM 249 CA GLY 234 39.961 -18.763 24.725 1.00 1.00 ATOM 250 CA SER 235 41.610 -22.179 24.603 1.00 1.00 ATOM 251 CA LYS 236 41.609 -25.633 23.074 1.00 1.00 ATOM 252 CA LYS 237 40.270 -27.260 26.237 1.00 1.00 ATOM 253 CA TYR 238 41.507 -25.449 29.342 1.00 1.00 ATOM 254 CA ASP 239 38.505 -24.021 31.212 1.00 1.00 ATOM 255 CA PRO 240 39.036 -20.686 33.029 1.00 1.00 ATOM 259 CA LEU 241 41.968 -22.668 37.818 1.00 1.00 ATOM 260 CA ALA 242 44.356 -23.467 40.660 1.00 1.00 ATOM 261 CA VAL 243 44.225 -20.658 43.281 1.00 1.00 ATOM 262 CA GLU 244 47.433 -21.995 44.870 1.00 1.00 ATOM 263 CA ASP 245 49.503 -20.833 41.880 1.00 1.00 ATOM 264 CA SER 246 48.329 -17.277 42.600 1.00 1.00 ATOM 265 CA ARG 247 48.624 -17.496 46.403 1.00 1.00 ATOM 266 CA PHE 248 52.235 -18.677 46.081 1.00 1.00 ATOM 267 CA PHE 249 53.178 -16.264 43.265 1.00 1.00 ATOM 268 CA ASP 250 56.564 -14.671 43.971 1.00 1.00 ATOM 269 CA ILE 251 55.874 -11.338 42.229 1.00 1.00 ATOM 270 CA GLU 252 53.889 -8.180 42.989 1.00 1.00 ATOM 271 CA THR 253 50.253 -7.947 41.890 1.00 1.00 ATOM 272 CA LYS 254 48.286 -4.742 42.427 1.00 1.00 ATOM 273 CA TYR 255 44.913 -5.912 41.084 1.00 1.00 ATOM 274 CA TYR 256 44.751 -9.603 40.238 1.00 1.00 ATOM 275 CA THR 257 44.210 -12.287 42.893 1.00 1.00 ATOM 276 CA LYS 258 42.454 -15.690 43.226 1.00 1.00 ATOM 277 CA ASP 259 39.041 -14.274 44.135 1.00 1.00 ATOM 278 CA ILE 260 39.191 -11.664 41.373 1.00 1.00 ATOM 279 CA HIS 261 40.085 -14.327 38.786 1.00 1.00 ATOM 280 CA LYS 262 36.896 -16.287 39.481 1.00 1.00 ATOM 281 CA ALA 263 34.754 -13.192 40.026 1.00 1.00 ATOM 282 CA ALA 264 35.789 -11.655 36.693 1.00 1.00 ATOM 283 CA PHE 265 33.858 -14.351 34.838 1.00 1.00 ATOM 284 CA VAL 266 30.529 -13.411 36.483 1.00 1.00 ATOM 285 CA LEU 267 28.661 -11.374 33.866 1.00 1.00 ATOM 286 CA PRO 268 25.858 -8.874 34.598 1.00 1.00 ATOM 287 CA LYS 269 22.504 -9.638 32.957 1.00 1.00 ATOM 288 CA PHE 270 22.804 -7.008 30.212 1.00 1.00 ATOM 289 CA VAL 271 26.117 -8.498 29.088 1.00 1.00 ATOM 290 CA SER 272 24.748 -12.060 29.140 1.00 1.00 ATOM 291 CA ASP 273 21.758 -10.946 27.057 1.00 1.00 ATOM 292 CA LEU 274 24.024 -9.283 24.489 1.00 1.00 ATOM 293 CA ILE 275 26.076 -12.483 24.135 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 13:55:30 2002 Date: Mon, 19 Aug 2002 13:55:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0179 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 Mon Aug 19 13:27:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_418912_28084 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179TS007_3 Current information on models submitted in prediction T0179TS007 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_3 PIN_418912_28084 6269-7633-6117 08/19/02 13:27:27 casp5@bialko.llnl.gov T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 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 T0179 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_3 PIN_418912_28084 6269-7633-6117 08/19/02 13:27:27 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 casp5@bialko.llnl.gov T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1INL_D # Loading PARENT structure: 1inl (chain: D) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue L 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue E 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue F 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue H 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue M 53 # IMPORTANT NOTE! Not complete main chain atoms for residue T 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue K 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue H 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue H 97 # IMPORTANT NOTE! Not complete main chain atoms for residue P 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue M 141 # IMPORTANT NOTE! Not complete main chain atoms for residue H 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue N 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue M 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue T 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 172 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue I 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue P 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue L 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue T 201 # IMPORTANT NOTE! Not complete main chain atoms for residue N 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue N 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue P 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue W 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue G 234 # IMPORTANT NOTE! Not complete main chain atoms for residue S 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue P 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue D 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue R 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue F 249 # IMPORTANT NOTE! Not complete main chain atoms for residue D 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 256 # IMPORTANT NOTE! Not complete main chain atoms for residue T 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue I 260 # IMPORTANT NOTE! Not complete main chain atoms for residue H 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue A 263 # IMPORTANT NOTE! Not complete main chain atoms for residue A 264 # IMPORTANT NOTE! Not complete main chain atoms for residue F 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue F 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue S 272 # IMPORTANT NOTE! Not complete main chain atoms for residue D 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue I 275 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0179 # Total number of residues in target: 276 # Total number of residues in model: 262 # Total number of atoms in model: 262 # Number of atoms with 1.0 occupancy: 262 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 262 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0179 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1INL_D ATOM 17 CA LEU 4 44.888 19.281 22.753 1.00 1.00 ATOM 18 CA TRP 5 43.399 22.607 23.834 1.00 1.00 ATOM 19 CA TYR 6 44.278 25.955 25.391 1.00 1.00 ATOM 20 CA THR 7 41.511 27.710 27.370 1.00 1.00 ATOM 21 CA GLU 8 41.955 31.398 28.243 1.00 1.00 ATOM 22 CA LYS 9 39.458 32.705 30.800 1.00 1.00 ATOM 23 CA GLN 10 38.569 36.406 30.744 1.00 1.00 ATOM 24 CA THR 11 38.139 38.525 33.865 1.00 1.00 ATOM 25 CA LYS 12 35.097 37.182 35.690 1.00 1.00 ATOM 27 CA ASN 13 32.313 33.610 32.559 1.00 1.00 ATOM 28 CA PHE 14 33.653 33.980 29.010 1.00 1.00 ATOM 29 CA GLY 15 36.910 32.978 27.351 1.00 1.00 ATOM 30 CA ILE 16 38.803 32.017 24.214 1.00 1.00 ATOM 31 CA THR 17 39.848 28.487 23.255 1.00 1.00 ATOM 32 CA MET 18 42.581 27.443 20.816 1.00 1.00 ATOM 33 CA LYS 19 43.700 24.146 19.297 1.00 1.00 ATOM 34 CA VAL 20 47.308 23.289 20.145 1.00 1.00 ATOM 35 CA ASN 21 49.105 21.313 17.452 1.00 1.00 ATOM 36 CA LYS 22 52.276 21.280 19.537 1.00 1.00 ATOM 37 CA THR 23 53.623 22.771 22.757 1.00 1.00 ATOM 38 CA LEU 24 56.961 24.500 22.190 1.00 1.00 ATOM 39 CA HIS 25 57.830 25.432 25.779 1.00 1.00 ATOM 40 CA THR 26 56.376 25.308 29.286 1.00 1.00 ATOM 41 CA GLU 27 58.348 26.904 32.093 1.00 1.00 ATOM 42 CA GLN 28 57.864 28.332 35.569 1.00 1.00 ATOM 43 CA THR 29 59.785 31.242 37.098 1.00 1.00 ATOM 44 CA GLU 30 59.584 32.599 40.655 1.00 1.00 ATOM 45 CA PHE 31 56.974 35.008 39.278 1.00 1.00 ATOM 46 CA GLN 32 54.764 33.184 36.777 1.00 1.00 ATOM 47 CA HIS 33 54.226 30.351 34.321 1.00 1.00 ATOM 48 CA LEU 34 55.152 30.590 30.636 1.00 1.00 ATOM 49 CA GLU 35 53.570 28.574 27.829 1.00 1.00 ATOM 50 CA MET 36 54.483 28.826 24.167 1.00 1.00 ATOM 51 CA VAL 37 52.608 26.678 21.663 1.00 1.00 ATOM 52 CA GLU 38 51.545 26.419 18.035 1.00 1.00 ATOM 53 CA THR 39 48.007 27.009 16.737 1.00 1.00 ATOM 54 CA GLU 40 47.203 26.122 13.081 1.00 1.00 ATOM 55 CA GLU 41 45.718 29.568 12.374 1.00 1.00 ATOM 56 CA PHE 42 47.453 31.953 14.796 1.00 1.00 ATOM 57 CA GLY 43 50.930 30.446 14.596 1.00 1.00 ATOM 58 CA ASN 44 53.117 30.708 17.687 1.00 1.00 ATOM 59 CA MET 45 51.170 31.734 20.790 1.00 1.00 ATOM 60 CA LEU 46 52.788 33.054 23.983 1.00 1.00 ATOM 61 CA PHE 47 50.834 32.957 27.259 1.00 1.00 ATOM 62 CA LEU 48 51.596 33.986 30.855 1.00 1.00 ATOM 63 CA ASP 49 49.592 32.293 33.619 1.00 1.00 ATOM 64 CA GLY 50 47.017 31.249 31.023 1.00 1.00 ATOM 65 CA MET 51 46.581 34.746 29.573 1.00 1.00 ATOM 66 CA VAL 52 47.393 35.309 25.891 1.00 1.00 ATOM 67 CA MET 53 50.248 37.802 25.520 1.00 1.00 ATOM 68 CA THR 54 51.234 37.504 21.861 1.00 1.00 ATOM 69 CA SER 55 50.141 35.731 18.715 1.00 1.00 ATOM 70 CA GLU 56 52.343 35.498 15.611 1.00 1.00 ATOM 71 CA LYS 57 49.434 36.432 13.339 1.00 1.00 ATOM 72 CA ASP 58 48.324 39.661 15.022 1.00 1.00 ATOM 73 CA GLU 59 50.835 40.973 17.574 1.00 1.00 ATOM 74 CA PHE 60 51.634 43.801 15.143 1.00 1.00 ATOM 75 CA VAL 61 48.233 45.415 15.855 1.00 1.00 ATOM 76 CA TYR 62 48.989 45.911 19.534 1.00 1.00 ATOM 77 CA HIS 63 52.693 46.729 19.307 1.00 1.00 ATOM 78 CA GLU 64 52.255 49.283 16.518 1.00 1.00 ATOM 79 CA MET 65 49.472 51.216 18.242 1.00 1.00 ATOM 80 CA VAL 66 51.183 51.259 21.637 1.00 1.00 ATOM 81 CA ALA 67 54.529 52.392 20.201 1.00 1.00 ATOM 82 CA HIS 68 53.915 54.511 17.092 1.00 1.00 ATOM 83 CA VAL 69 51.332 56.929 18.475 1.00 1.00 ATOM 84 CA PRO 70 53.716 58.470 21.051 1.00 1.00 ATOM 85 CA LEU 71 56.872 57.981 18.932 1.00 1.00 ATOM 86 CA PHE 72 55.512 59.950 15.963 1.00 1.00 ATOM 87 CA THR 73 54.062 62.644 18.232 1.00 1.00 ATOM 88 CA HIS 74 57.465 63.409 19.736 1.00 1.00 ATOM 89 CA PRO 75 59.581 66.035 17.869 1.00 1.00 ATOM 90 CA ASN 76 62.805 64.000 18.087 1.00 1.00 ATOM 91 CA PRO 77 62.656 60.843 20.290 1.00 1.00 ATOM 92 CA GLU 78 66.207 59.796 21.212 1.00 1.00 ATOM 93 CA HIS 79 65.883 58.170 24.648 1.00 1.00 ATOM 94 CA VAL 80 63.021 55.719 25.249 1.00 1.00 ATOM 95 CA LEU 81 61.993 53.578 28.234 1.00 1.00 ATOM 96 CA VAL 82 59.679 50.584 27.836 1.00 1.00 ATOM 97 CA VAL 83 58.305 49.017 31.013 1.00 1.00 ATOM 98 CA GLY 84 57.192 45.429 30.505 1.00 1.00 ATOM 99 CA GLY 85 56.900 43.853 27.066 1.00 1.00 ATOM 100 CA GLY 86 59.265 40.948 27.652 1.00 1.00 ATOM 101 CA ASP 87 58.375 39.524 24.240 1.00 1.00 ATOM 102 CA GLY 88 60.170 42.482 22.642 1.00 1.00 ATOM 103 CA GLY 89 57.473 43.587 20.190 1.00 1.00 ATOM 104 CA VAL 90 57.230 47.176 21.410 1.00 1.00 ATOM 105 CA ILE 91 61.032 47.466 21.411 1.00 1.00 ATOM 106 CA ARG 92 61.035 46.240 17.802 1.00 1.00 ATOM 107 CA GLU 93 58.598 48.995 16.784 1.00 1.00 ATOM 108 CA ILE 94 60.435 51.721 18.717 1.00 1.00 ATOM 109 CA LEU 95 63.700 50.779 16.970 1.00 1.00 ATOM 110 CA LYS 96 62.153 51.497 13.554 1.00 1.00 ATOM 111 CA HIS 97 62.535 55.206 14.353 1.00 1.00 ATOM 112 CA PRO 98 65.998 56.337 13.212 1.00 1.00 ATOM 113 CA SER 99 66.040 59.136 15.810 1.00 1.00 ATOM 114 CA VAL 100 66.300 56.617 18.663 1.00 1.00 ATOM 115 CA LYS 101 69.779 56.466 20.190 1.00 1.00 ATOM 116 CA LYS 102 68.938 54.337 23.243 1.00 1.00 ATOM 117 CA ALA 103 65.894 52.216 24.110 1.00 1.00 ATOM 118 CA THR 104 65.685 50.522 27.516 1.00 1.00 ATOM 119 CA LEU 105 63.427 47.478 27.891 1.00 1.00 ATOM 120 CA VAL 106 62.653 46.890 31.566 1.00 1.00 ATOM 121 CA ASP 107 61.172 43.422 32.185 1.00 1.00 ATOM 122 CA ILE 108 60.586 42.048 35.699 1.00 1.00 ATOM 123 CA ASP 109 60.861 38.353 34.790 1.00 1.00 ATOM 124 CA GLY 110 64.217 37.188 33.472 1.00 1.00 ATOM 125 CA LYS 111 62.728 33.900 32.268 1.00 1.00 ATOM 126 CA VAL 112 60.387 35.792 29.918 1.00 1.00 ATOM 127 CA ILE 113 63.323 37.543 28.225 1.00 1.00 ATOM 128 CA GLU 114 65.240 34.281 27.783 1.00 1.00 ATOM 129 CA TYR 115 62.178 32.399 26.530 1.00 1.00 ATOM 130 CA SER 116 61.414 35.235 24.095 1.00 1.00 ATOM 131 CA LYS 117 64.997 35.315 22.807 1.00 1.00 ATOM 132 CA LYS 118 64.928 31.570 22.110 1.00 1.00 ATOM 133 CA PHE 119 61.326 30.971 20.996 1.00 1.00 ATOM 134 CA LEU 120 59.772 34.310 19.982 1.00 1.00 ATOM 135 CA PRO 121 62.182 35.500 17.267 1.00 1.00 ATOM 136 CA SER 122 59.467 37.550 15.533 1.00 1.00 ATOM 137 CA ILE 123 59.231 39.918 18.507 1.00 1.00 ATOM 138 CA ALA 124 62.649 39.547 20.185 1.00 1.00 ATOM 139 CA GLY 125 64.551 40.500 17.011 1.00 1.00 ATOM 140 CA LYS 126 65.654 43.814 18.532 1.00 1.00 ATOM 141 CA LEU 127 67.331 42.283 21.596 1.00 1.00 ATOM 142 CA ASP 128 70.769 42.462 19.945 1.00 1.00 ATOM 143 CA ASP 129 70.402 46.004 18.563 1.00 1.00 ATOM 144 CA PRO 130 73.298 48.176 19.865 1.00 1.00 ATOM 145 CA ARG 131 70.778 50.899 20.769 1.00 1.00 ATOM 146 CA VAL 132 68.737 48.482 22.887 1.00 1.00 ATOM 147 CA ASP 133 69.432 47.850 26.563 1.00 1.00 ATOM 148 CA VAL 134 67.589 45.034 28.312 1.00 1.00 ATOM 149 CA GLN 135 67.326 45.250 32.096 1.00 1.00 ATOM 150 CA VAL 136 65.665 42.858 34.537 1.00 1.00 ATOM 151 CA ASP 137 63.906 44.795 37.286 1.00 1.00 ATOM 152 CA ASP 138 60.603 45.937 38.758 1.00 1.00 ATOM 153 CA GLY 139 59.492 48.821 36.543 1.00 1.00 ATOM 154 CA PHE 140 57.964 50.788 39.422 1.00 1.00 ATOM 155 CA MET 141 61.292 50.899 41.257 1.00 1.00 ATOM 156 CA HIS 142 63.484 51.214 38.154 1.00 1.00 ATOM 157 CA ILE 143 61.888 54.369 36.704 1.00 1.00 ATOM 158 CA ALA 144 62.709 56.204 39.962 1.00 1.00 ATOM 159 CA LYS 145 66.420 56.132 39.100 1.00 1.00 ATOM 160 CA SER 146 65.786 58.717 36.380 1.00 1.00 ATOM 161 CA GLU 147 64.849 62.399 36.292 1.00 1.00 ATOM 162 CA ASN 148 64.537 64.486 33.103 1.00 1.00 ATOM 163 CA GLN 149 66.027 61.642 31.045 1.00 1.00 ATOM 164 CA TYR 150 63.572 60.103 28.572 1.00 1.00 ATOM 165 CA ASP 151 61.803 61.535 25.542 1.00 1.00 ATOM 166 CA VAL 152 59.259 58.697 25.547 1.00 1.00 ATOM 167 CA ILE 153 57.996 56.231 28.175 1.00 1.00 ATOM 168 CA MET 154 55.812 53.292 27.145 1.00 1.00 ATOM 169 CA VAL 155 54.057 50.991 29.628 1.00 1.00 ATOM 170 CA ASP 156 53.647 47.555 28.034 1.00 1.00 ATOM 171 CA SER 157 52.267 45.778 31.111 1.00 1.00 ATOM 183 CA PHE 168 49.676 51.240 38.234 1.00 1.00 ATOM 184 CA THR 169 49.548 53.756 41.103 1.00 1.00 ATOM 185 CA LYS 170 49.460 57.563 40.927 1.00 1.00 ATOM 186 CA GLY 171 52.901 57.430 42.563 1.00 1.00 ATOM 187 CA PHE 172 54.201 55.360 39.635 1.00 1.00 ATOM 188 CA TYR 173 52.737 57.680 36.989 1.00 1.00 ATOM 189 CA ALA 174 54.294 60.663 38.778 1.00 1.00 ATOM 190 CA GLY 175 57.661 58.881 38.651 1.00 1.00 ATOM 191 CA ILE 176 57.190 58.462 34.893 1.00 1.00 ATOM 192 CA ALA 177 56.352 62.168 34.556 1.00 1.00 ATOM 193 CA LYS 178 59.521 63.059 36.476 1.00 1.00 ATOM 194 CA ALA 179 61.670 60.649 34.438 1.00 1.00 ATOM 195 CA LEU 180 60.513 62.361 31.244 1.00 1.00 ATOM 196 CA LYS 181 62.078 65.518 29.818 1.00 1.00 ATOM 197 CA GLU 182 60.110 68.793 29.724 1.00 1.00 ATOM 198 CA ASP 183 58.532 67.844 26.374 1.00 1.00 ATOM 199 CA GLY 184 58.369 64.078 26.860 1.00 1.00 ATOM 200 CA ILE 185 55.455 61.877 25.793 1.00 1.00 ATOM 201 CA PHE 186 53.853 58.786 27.339 1.00 1.00 ATOM 202 CA VAL 187 51.692 55.813 26.341 1.00 1.00 ATOM 203 CA ALA 188 50.297 52.919 28.349 1.00 1.00 ATOM 204 CA GLN 189 48.117 49.956 27.496 1.00 1.00 ATOM 205 CA THR 190 44.897 50.387 29.461 1.00 1.00 ATOM 206 CA ASP 191 43.003 47.145 28.763 1.00 1.00 ATOM 207 CA ASN 192 39.607 46.510 27.180 1.00 1.00 ATOM 208 CA PRO 193 36.698 48.757 28.279 1.00 1.00 ATOM 209 CA TRP 194 34.513 45.638 28.480 1.00 1.00 ATOM 210 CA PHE 195 35.632 42.739 30.711 1.00 1.00 ATOM 211 CA THR 196 38.266 44.945 32.322 1.00 1.00 ATOM 212 CA PRO 197 36.273 48.170 32.617 1.00 1.00 ATOM 213 CA GLU 198 37.346 48.659 36.241 1.00 1.00 ATOM 214 CA LEU 199 41.079 48.630 35.479 1.00 1.00 ATOM 215 CA ILE 200 40.518 50.836 32.418 1.00 1.00 ATOM 216 CA THR 201 38.763 53.568 34.417 1.00 1.00 ATOM 217 CA ASN 202 41.304 53.445 37.254 1.00 1.00 ATOM 218 CA VAL 203 44.316 53.745 34.946 1.00 1.00 ATOM 219 CA GLN 204 42.796 56.721 33.129 1.00 1.00 ATOM 220 CA ARG 205 41.894 58.524 36.368 1.00 1.00 ATOM 221 CA ASP 206 45.383 58.095 37.837 1.00 1.00 ATOM 222 CA VAL 207 47.235 59.076 34.645 1.00 1.00 ATOM 223 CA LYS 208 45.024 62.147 34.138 1.00 1.00 ATOM 224 CA GLU 209 45.809 63.358 37.671 1.00 1.00 ATOM 225 CA ILE 210 49.524 63.536 36.801 1.00 1.00 ATOM 226 CA PHE 211 49.691 64.565 33.133 1.00 1.00 ATOM 227 CA PRO 212 47.990 67.776 31.896 1.00 1.00 ATOM 228 CA ILE 213 47.245 66.060 28.569 1.00 1.00 ATOM 229 CA THR 214 45.697 62.587 28.835 1.00 1.00 ATOM 230 CA LYS 215 43.799 61.041 25.912 1.00 1.00 ATOM 231 CA LEU 216 42.502 57.517 25.372 1.00 1.00 ATOM 232 CA TYR 217 42.860 55.936 21.942 1.00 1.00 ATOM 233 CA THR 218 41.476 52.612 20.722 1.00 1.00 ATOM 234 CA ALA 219 42.723 49.852 18.496 1.00 1.00 ATOM 235 CA ASN 220 41.664 46.455 17.233 1.00 1.00 ATOM 236 CA ILE 221 43.458 43.513 18.829 1.00 1.00 ATOM 237 CA PRO 222 42.080 40.339 17.268 1.00 1.00 ATOM 238 CA THR 223 43.193 37.925 20.022 1.00 1.00 ATOM 239 CA TYR 224 42.891 40.021 23.195 1.00 1.00 ATOM 240 CA PRO 225 39.737 39.918 25.399 1.00 1.00 ATOM 241 CA SER 226 36.797 41.556 23.556 1.00 1.00 ATOM 242 CA GLY 227 38.974 42.635 20.635 1.00 1.00 ATOM 243 CA LEU 228 38.590 46.271 21.708 1.00 1.00 ATOM 244 CA TRP 229 41.852 47.470 23.222 1.00 1.00 ATOM 245 CA THR 230 42.540 50.832 24.789 1.00 1.00 ATOM 246 CA PHE 231 45.742 52.803 25.173 1.00 1.00 ATOM 247 CA THR 232 46.273 56.033 27.074 1.00 1.00 ATOM 248 CA ILE 233 48.454 58.773 25.622 1.00 1.00 ATOM 249 CA GLY 234 49.819 61.446 27.935 1.00 1.00 ATOM 250 CA SER 235 52.162 64.414 27.680 1.00 1.00 ATOM 251 CA LYS 236 53.202 67.707 29.225 1.00 1.00 ATOM 252 CA LYS 237 51.764 69.744 26.357 1.00 1.00 ATOM 253 CA TYR 238 51.857 67.833 23.063 1.00 1.00 ATOM 254 CA ASP 239 48.330 67.280 21.734 1.00 1.00 ATOM 255 CA PRO 240 47.684 63.887 20.010 1.00 1.00 ATOM 259 CA LEU 241 50.239 65.434 14.825 1.00 1.00 ATOM 260 CA ALA 242 52.199 65.672 11.564 1.00 1.00 ATOM 261 CA VAL 243 50.866 63.086 9.049 1.00 1.00 ATOM 262 CA GLU 244 53.814 63.750 6.721 1.00 1.00 ATOM 263 CA ASP 245 56.192 62.082 9.182 1.00 1.00 ATOM 264 CA SER 246 54.141 58.885 8.838 1.00 1.00 ATOM 265 CA ARG 247 53.795 59.117 5.045 1.00 1.00 ATOM 266 CA PHE 248 57.565 59.555 4.681 1.00 1.00 ATOM 267 CA PHE 249 58.312 56.714 7.127 1.00 1.00 ATOM 268 CA ASP 250 60.998 54.470 5.622 1.00 1.00 ATOM 269 CA ILE 251 59.905 51.358 7.548 1.00 1.00 ATOM 270 CA GLU 252 57.167 48.714 7.351 1.00 1.00 ATOM 271 CA THR 253 53.845 49.332 9.116 1.00 1.00 ATOM 272 CA LYS 254 51.160 46.639 9.020 1.00 1.00 ATOM 273 CA TYR 255 48.468 48.496 10.978 1.00 1.00 ATOM 274 CA TYR 256 49.359 52.079 11.874 1.00 1.00 ATOM 275 CA THR 257 48.992 54.956 9.390 1.00 1.00 ATOM 276 CA LYS 258 48.070 58.665 9.425 1.00 1.00 ATOM 277 CA ASP 259 44.283 58.233 9.223 1.00 1.00 ATOM 278 CA ILE 260 44.263 55.471 11.856 1.00 1.00 ATOM 279 CA HIS 261 46.274 57.664 14.229 1.00 1.00 ATOM 280 CA LYS 262 43.580 60.359 14.182 1.00 1.00 ATOM 281 CA ALA 263 40.661 57.909 14.044 1.00 1.00 ATOM 282 CA ALA 264 41.886 55.954 17.073 1.00 1.00 ATOM 283 CA PHE 265 41.084 58.935 19.305 1.00 1.00 ATOM 284 CA VAL 266 37.380 58.929 18.374 1.00 1.00 ATOM 285 CA LEU 267 35.618 57.231 21.295 1.00 1.00 ATOM 286 CA PRO 268 32.197 55.524 21.121 1.00 1.00 ATOM 287 CA LYS 269 29.548 56.975 23.443 1.00 1.00 ATOM 288 CA PHE 270 29.723 54.168 26.014 1.00 1.00 ATOM 289 CA VAL 271 33.473 54.710 26.433 1.00 1.00 ATOM 290 CA SER 272 33.064 58.487 26.795 1.00 1.00 ATOM 291 CA ASP 273 30.384 57.906 29.447 1.00 1.00 ATOM 292 CA LEU 274 32.653 55.552 31.421 1.00 1.00 ATOM 293 CA ILE 275 35.404 58.196 31.396 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 13:45:29 2002 Date: Mon, 19 Aug 2002 13:45:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0179 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 Mon Aug 19 13:17:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_319115_28053 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179TS007_4 Current information on models submitted in prediction T0179TS007 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 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 T0179 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 casp5@bialko.llnl.gov T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JQ3_B # Loading PARENT structure: 1jq3 (chain: B) # Number of residues in PARENT structure: 286 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue E 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue F 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue H 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue M 53 # IMPORTANT NOTE! Not complete main chain atoms for residue T 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue K 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue H 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue H 97 # IMPORTANT NOTE! Not complete main chain atoms for residue P 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue M 141 # IMPORTANT NOTE! Not complete main chain atoms for residue H 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue N 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue M 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue T 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 172 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue I 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue P 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue L 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue T 201 # IMPORTANT NOTE! Not complete main chain atoms for residue N 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue N 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue P 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue W 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue G 234 # IMPORTANT NOTE! Not complete main chain atoms for residue S 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue P 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue D 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue R 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue F 249 # IMPORTANT NOTE! Not complete main chain atoms for residue D 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 256 # IMPORTANT NOTE! Not complete main chain atoms for residue T 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue I 260 # IMPORTANT NOTE! Not complete main chain atoms for residue H 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue A 263 # IMPORTANT NOTE! Not complete main chain atoms for residue A 264 # IMPORTANT NOTE! Not complete main chain atoms for residue F 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue F 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue S 272 # IMPORTANT NOTE! Not complete main chain atoms for residue D 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue I 275 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0179 # Total number of residues in target: 276 # Total number of residues in model: 264 # Total number of atoms in model: 264 # Number of atoms with 1.0 occupancy: 264 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 264 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0179 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JQ3_B ATOM 17 CA LEU 4 26.365 22.903 24.243 1.00 1.00 ATOM 18 CA TRP 5 28.272 20.932 26.861 1.00 1.00 ATOM 19 CA TYR 6 28.099 19.661 30.421 1.00 1.00 ATOM 20 CA THR 7 31.465 19.322 32.224 1.00 1.00 ATOM 21 CA GLU 8 31.606 17.250 35.414 1.00 1.00 ATOM 22 CA LYS 9 34.768 17.894 37.420 1.00 1.00 ATOM 23 CA GLN 10 36.027 15.087 39.642 1.00 1.00 ATOM 24 CA THR 11 37.465 15.537 43.133 1.00 1.00 ATOM 25 CA LYS 12 40.661 17.509 42.659 1.00 1.00 ATOM 27 CA ASN 13 42.236 17.592 37.473 1.00 1.00 ATOM 28 CA PHE 14 40.042 15.099 35.544 1.00 1.00 ATOM 29 CA GLY 15 36.382 14.989 34.563 1.00 1.00 ATOM 30 CA ILE 16 33.683 13.825 32.196 1.00 1.00 ATOM 31 CA THR 17 32.042 15.894 29.460 1.00 1.00 ATOM 32 CA MET 18 28.674 15.333 27.799 1.00 1.00 ATOM 33 CA LYS 19 27.027 16.885 24.764 1.00 1.00 ATOM 34 CA VAL 20 23.651 18.464 25.548 1.00 1.00 ATOM 35 CA ASN 21 20.913 18.392 22.909 1.00 1.00 ATOM 36 CA LYS 22 18.664 20.401 25.238 1.00 1.00 ATOM 37 CA THR 23 18.342 21.374 28.901 1.00 1.00 ATOM 38 CA LEU 24 15.054 20.080 30.295 1.00 1.00 ATOM 39 CA HIS 25 15.174 21.782 33.703 1.00 1.00 ATOM 40 CA THR 26 17.487 24.019 35.756 1.00 1.00 ATOM 41 CA GLU 27 16.412 25.011 39.247 1.00 1.00 ATOM 42 CA GLN 28 17.887 26.104 42.556 1.00 1.00 ATOM 43 CA THR 29 16.622 25.226 46.025 1.00 1.00 ATOM 44 CA GLU 30 17.823 26.514 49.398 1.00 1.00 ATOM 45 CA PHE 31 20.129 23.509 49.370 1.00 1.00 ATOM 46 CA GLN 32 21.558 23.019 45.879 1.00 1.00 ATOM 47 CA HIS 33 21.274 23.350 42.119 1.00 1.00 ATOM 48 CA LEU 34 19.441 20.821 39.908 1.00 1.00 ATOM 49 CA GLU 35 20.103 20.384 36.196 1.00 1.00 ATOM 50 CA MET 36 18.304 17.885 33.986 1.00 1.00 ATOM 51 CA VAL 37 19.311 17.637 30.322 1.00 1.00 ATOM 52 CA GLU 38 19.293 15.305 27.317 1.00 1.00 ATOM 53 CA THR 39 22.424 13.643 25.884 1.00 1.00 ATOM 54 CA GLU 40 22.121 11.728 22.552 1.00 1.00 ATOM 55 CA GLU 41 23.730 8.589 23.996 1.00 1.00 ATOM 56 CA PHE 42 22.841 8.583 27.693 1.00 1.00 ATOM 57 CA GLY 43 19.320 9.958 27.406 1.00 1.00 ATOM 58 CA ASN 44 18.088 12.119 30.278 1.00 1.00 ATOM 59 CA MET 45 20.858 13.119 32.688 1.00 1.00 ATOM 60 CA LEU 46 20.258 14.472 36.216 1.00 1.00 ATOM 61 CA PHE 47 23.027 16.436 37.975 1.00 1.00 ATOM 62 CA LEU 48 23.211 18.076 41.441 1.00 1.00 ATOM 63 CA ASP 49 25.694 20.962 41.820 1.00 1.00 ATOM 64 CA GLY 50 27.363 19.852 38.590 1.00 1.00 ATOM 65 CA MET 51 27.845 16.274 39.768 1.00 1.00 ATOM 66 CA VAL 52 26.222 13.483 37.722 1.00 1.00 ATOM 67 CA MET 53 23.511 11.680 39.755 1.00 1.00 ATOM 68 CA THR 54 21.653 9.591 37.161 1.00 1.00 ATOM 69 CA SER 55 21.692 8.788 33.491 1.00 1.00 ATOM 70 CA GLU 56 18.770 6.945 31.825 1.00 1.00 ATOM 71 CA LYS 57 21.137 4.555 30.080 1.00 1.00 ATOM 72 CA ASP 58 22.864 3.164 33.154 1.00 1.00 ATOM 73 CA GLU 59 21.235 4.173 36.444 1.00 1.00 ATOM 74 CA PHE 60 20.040 0.559 36.813 1.00 1.00 ATOM 75 CA VAL 61 23.652 -0.549 37.487 1.00 1.00 ATOM 76 CA TYR 62 23.901 1.617 40.582 1.00 1.00 ATOM 77 CA HIS 63 20.371 1.248 41.907 1.00 1.00 ATOM 78 CA GLU 64 20.304 -2.537 41.505 1.00 1.00 ATOM 79 CA MET 65 23.602 -3.062 43.364 1.00 1.00 ATOM 80 CA VAL 66 22.836 -0.616 46.162 1.00 1.00 ATOM 81 CA ALA 67 19.378 -2.102 46.740 1.00 1.00 ATOM 82 CA HIS 68 19.321 -5.789 45.878 1.00 1.00 ATOM 83 CA VAL 69 22.369 -6.920 47.822 1.00 1.00 ATOM 84 CA PRO 70 20.780 -6.012 51.196 1.00 1.00 ATOM 85 CA LEU 71 17.179 -6.763 50.162 1.00 1.00 ATOM 86 CA PHE 72 17.913 -10.353 49.090 1.00 1.00 ATOM 87 CA THR 73 20.133 -10.951 52.134 1.00 1.00 ATOM 88 CA HIS 74 17.366 -10.010 54.567 1.00 1.00 ATOM 89 CA PRO 75 15.155 -13.000 55.440 1.00 1.00 ATOM 90 CA ASN 76 11.848 -11.052 55.142 1.00 1.00 ATOM 91 CA PRO 77 12.226 -7.309 54.516 1.00 1.00 ATOM 92 CA GLU 78 8.974 -5.526 55.342 1.00 1.00 ATOM 93 CA HIS 79 10.003 -2.059 56.545 1.00 1.00 ATOM 94 CA VAL 80 12.704 -0.197 54.613 1.00 1.00 ATOM 95 CA LEU 81 14.227 3.245 55.099 1.00 1.00 ATOM 96 CA VAL 82 16.095 4.868 52.205 1.00 1.00 ATOM 97 CA VAL 83 18.049 8.057 52.961 1.00 1.00 ATOM 98 CA GLY 84 18.815 10.285 49.990 1.00 1.00 ATOM 99 CA GLY 85 17.596 8.758 46.719 1.00 1.00 ATOM 100 CA GLY 86 15.539 11.750 45.628 1.00 1.00 ATOM 101 CA ASP 87 15.479 10.486 42.033 1.00 1.00 ATOM 102 CA GLY 88 13.586 7.406 43.207 1.00 1.00 ATOM 103 CA GLY 89 15.777 4.700 41.650 1.00 1.00 ATOM 104 CA VAL 90 16.613 2.890 44.879 1.00 1.00 ATOM 105 CA ILE 91 12.949 3.121 45.941 1.00 1.00 ATOM 106 CA ARG 92 11.943 1.567 42.595 1.00 1.00 ATOM 107 CA GLU 93 14.283 -1.391 43.103 1.00 1.00 ATOM 108 CA ILE 94 13.265 -1.935 46.741 1.00 1.00 ATOM 109 CA LEU 95 9.588 -1.964 45.712 1.00 1.00 ATOM 110 CA LYS 96 10.233 -4.960 43.422 1.00 1.00 ATOM 111 CA HIS 97 10.505 -7.119 46.556 1.00 1.00 ATOM 112 CA PRO 98 7.002 -8.425 47.388 1.00 1.00 ATOM 113 CA SER 99 7.709 -8.675 51.140 1.00 1.00 ATOM 114 CA VAL 100 7.943 -4.881 51.437 1.00 1.00 ATOM 115 CA LYS 101 5.039 -3.308 53.336 1.00 1.00 ATOM 116 CA LYS 102 6.450 0.175 53.807 1.00 1.00 ATOM 117 CA ALA 103 9.359 1.979 52.180 1.00 1.00 ATOM 118 CA THR 104 10.191 5.430 53.489 1.00 1.00 ATOM 119 CA LEU 105 12.173 7.725 51.181 1.00 1.00 ATOM 120 CA VAL 106 13.823 10.398 53.308 1.00 1.00 ATOM 121 CA ASP 107 15.062 13.188 51.020 1.00 1.00 ATOM 122 CA ILE 108 16.474 16.458 52.382 1.00 1.00 ATOM 123 CA ASP 109 15.495 18.622 49.377 1.00 1.00 ATOM 124 CA GLY 110 11.845 18.826 48.366 1.00 1.00 ATOM 125 CA LYS 111 12.820 20.402 45.026 1.00 1.00 ATOM 126 CA VAL 112 14.652 17.200 44.086 1.00 1.00 ATOM 127 CA ILE 113 11.489 15.172 44.755 1.00 1.00 ATOM 128 CA GLU 114 9.333 17.526 42.681 1.00 1.00 ATOM 129 CA TYR 115 11.855 17.671 39.814 1.00 1.00 ATOM 130 CA SER 116 12.185 13.871 39.824 1.00 1.00 ATOM 131 CA LYS 117 8.418 13.401 39.839 1.00 1.00 ATOM 132 CA LYS 118 8.033 15.653 36.800 1.00 1.00 ATOM 133 CA PHE 119 11.160 14.998 34.727 1.00 1.00 ATOM 134 CA LEU 120 12.731 11.705 35.865 1.00 1.00 ATOM 135 CA PRO 121 9.821 9.319 35.358 1.00 1.00 ATOM 136 CA SER 122 12.065 6.319 34.806 1.00 1.00 ATOM 137 CA ILE 123 13.290 6.489 38.418 1.00 1.00 ATOM 138 CA ALA 124 10.439 8.290 40.224 1.00 1.00 ATOM 139 CA GLY 125 7.810 5.768 39.083 1.00 1.00 ATOM 140 CA LYS 126 7.464 4.379 42.625 1.00 1.00 ATOM 141 CA LEU 127 6.557 7.736 44.220 1.00 1.00 ATOM 142 CA ASP 128 2.840 6.933 43.988 1.00 1.00 ATOM 143 CA ASP 129 3.068 3.330 45.212 1.00 1.00 ATOM 144 CA PRO 130 0.930 3.052 48.397 1.00 1.00 ATOM 145 CA ARG 131 3.845 1.307 50.114 1.00 1.00 ATOM 146 CA VAL 132 6.064 4.344 49.532 1.00 1.00 ATOM 147 CA ASP 133 6.206 7.254 51.973 1.00 1.00 ATOM 148 CA VAL 134 8.192 10.353 51.013 1.00 1.00 ATOM 149 CA GLN 135 9.555 12.415 53.895 1.00 1.00 ATOM 150 CA VAL 136 11.403 15.708 53.415 1.00 1.00 ATOM 151 CA ASP 137 14.027 15.717 56.178 1.00 1.00 ATOM 152 CA ASP 138 17.725 15.470 56.974 1.00 1.00 ATOM 153 CA GLY 139 18.284 11.711 57.154 1.00 1.00 ATOM 154 CA PHE 140 20.695 12.000 60.084 1.00 1.00 ATOM 155 CA MET 141 17.970 13.763 62.116 1.00 1.00 ATOM 156 CA HIS 142 15.101 11.621 60.853 1.00 1.00 ATOM 157 CA ILE 143 16.667 8.229 61.579 1.00 1.00 ATOM 158 CA ALA 144 17.319 8.999 65.252 1.00 1.00 ATOM 159 CA LYS 145 13.545 9.185 65.812 1.00 1.00 ATOM 160 CA SER 146 13.483 5.392 65.491 1.00 1.00 ATOM 161 CA GLU 147 14.612 2.393 67.529 1.00 1.00 ATOM 162 CA ASN 148 14.277 -1.294 66.613 1.00 1.00 ATOM 163 CA GLN 149 12.029 -0.258 63.717 1.00 1.00 ATOM 164 CA TYR 150 13.461 -1.114 60.290 1.00 1.00 ATOM 165 CA ASP 151 14.497 -4.336 58.585 1.00 1.00 ATOM 166 CA VAL 152 16.664 -2.548 56.022 1.00 1.00 ATOM 167 CA ILE 153 18.359 0.842 55.803 1.00 1.00 ATOM 168 CA MET 154 19.990 2.067 52.572 1.00 1.00 ATOM 169 CA VAL 155 22.064 5.232 52.275 1.00 1.00 ATOM 170 CA ASP 156 21.926 6.566 48.695 1.00 1.00 ATOM 171 CA SER 157 24.263 9.317 47.256 1.00 1.00 ATOM 181 CA ASN 166 25.822 14.529 57.907 1.00 1.00 ATOM 182 CA LEU 167 25.229 11.050 56.445 1.00 1.00 ATOM 183 CA PHE 168 28.791 9.851 57.031 1.00 1.00 ATOM 184 CA THR 169 29.526 10.330 60.769 1.00 1.00 ATOM 185 CA LYS 170 30.048 7.512 63.276 1.00 1.00 ATOM 186 CA GLY 171 27.074 8.802 65.299 1.00 1.00 ATOM 187 CA PHE 172 24.924 8.673 62.169 1.00 1.00 ATOM 188 CA TYR 173 25.884 5.042 61.516 1.00 1.00 ATOM 189 CA ALA 174 25.203 4.253 65.177 1.00 1.00 ATOM 190 CA GLY 175 21.752 5.860 64.791 1.00 1.00 ATOM 191 CA ILE 176 21.079 3.587 61.781 1.00 1.00 ATOM 192 CA ALA 177 22.208 0.589 63.821 1.00 1.00 ATOM 193 CA LYS 178 19.869 1.529 66.705 1.00 1.00 ATOM 194 CA ALA 179 16.986 2.111 64.252 1.00 1.00 ATOM 195 CA LEU 180 17.321 -1.365 62.724 1.00 1.00 ATOM 196 CA LYS 181 15.712 -4.469 64.207 1.00 1.00 ATOM 197 CA GLU 182 17.876 -7.225 65.762 1.00 1.00 ATOM 198 CA ASP 183 18.337 -8.928 62.369 1.00 1.00 ATOM 199 CA GLY 184 18.382 -5.784 60.239 1.00 1.00 ATOM 200 CA ILE 185 20.700 -5.182 57.283 1.00 1.00 ATOM 201 CA PHE 186 22.262 -2.074 55.789 1.00 1.00 ATOM 202 CA VAL 187 23.967 -0.775 52.646 1.00 1.00 ATOM 203 CA ALA 188 25.531 2.595 51.886 1.00 1.00 ATOM 204 CA GLN 189 27.062 3.856 48.679 1.00 1.00 ATOM 205 CA THR 190 30.722 4.415 49.569 1.00 1.00 ATOM 206 CA ASP 191 32.220 6.115 46.489 1.00 1.00 ATOM 207 CA ASN 192 35.016 5.221 44.087 1.00 1.00 ATOM 208 CA PRO 193 38.268 3.997 45.688 1.00 1.00 ATOM 209 CA TRP 194 40.177 6.129 43.144 1.00 1.00 ATOM 210 CA PHE 195 39.391 9.877 43.095 1.00 1.00 ATOM 211 CA THR 196 37.519 9.651 46.397 1.00 1.00 ATOM 212 CA PRO 197 39.822 7.227 48.202 1.00 1.00 ATOM 213 CA GLU 198 39.969 9.413 51.347 1.00 1.00 ATOM 214 CA LEU 199 36.224 9.330 51.879 1.00 1.00 ATOM 215 CA ILE 200 35.966 5.646 50.868 1.00 1.00 ATOM 216 CA THR 201 38.405 4.679 53.617 1.00 1.00 ATOM 217 CA ASN 202 36.768 6.911 56.199 1.00 1.00 ATOM 218 CA VAL 203 33.256 5.588 55.483 1.00 1.00 ATOM 219 CA GLN 204 34.418 1.988 55.787 1.00 1.00 ATOM 220 CA ARG 205 36.247 2.681 59.068 1.00 1.00 ATOM 221 CA ASP 206 33.256 4.452 60.607 1.00 1.00 ATOM 222 CA VAL 207 30.719 1.839 59.487 1.00 1.00 ATOM 223 CA LYS 208 33.005 -0.951 60.733 1.00 1.00 ATOM 224 CA GLU 209 33.151 0.594 64.228 1.00 1.00 ATOM 225 CA ILE 210 29.377 0.173 64.515 1.00 1.00 ATOM 226 CA PHE 211 28.287 -2.913 62.538 1.00 1.00 ATOM 227 CA PRO 212 29.834 -6.298 63.495 1.00 1.00 ATOM 228 CA ILE 213 29.517 -7.392 59.865 1.00 1.00 ATOM 229 CA THR 214 30.858 -4.719 57.473 1.00 1.00 ATOM 230 CA LYS 215 31.834 -5.786 53.932 1.00 1.00 ATOM 231 CA LEU 216 32.718 -3.724 50.889 1.00 1.00 ATOM 232 CA TYR 217 31.327 -4.741 47.496 1.00 1.00 ATOM 233 CA THR 218 31.959 -3.270 44.066 1.00 1.00 ATOM 234 CA ALA 219 30.079 -2.665 40.877 1.00 1.00 ATOM 235 CA ASN 220 30.499 -1.019 37.510 1.00 1.00 ATOM 236 CA ILE 221 28.805 2.394 37.167 1.00 1.00 ATOM 237 CA PRO 222 29.530 3.557 33.667 1.00 1.00 ATOM 238 CA THR 223 29.028 7.279 34.223 1.00 1.00 ATOM 239 CA TYR 224 30.226 7.825 37.812 1.00 1.00 ATOM 240 CA PRO 225 33.810 8.993 38.483 1.00 1.00 ATOM 241 CA SER 226 36.311 6.244 37.545 1.00 1.00 ATOM 242 CA GLY 227 33.569 3.730 36.715 1.00 1.00 ATOM 243 CA LEU 228 34.539 1.715 39.800 1.00 1.00 ATOM 244 CA TRP 229 31.893 2.173 42.479 1.00 1.00 ATOM 245 CA THR 230 31.898 0.788 46.003 1.00 1.00 ATOM 246 CA PHE 231 29.051 -0.046 48.346 1.00 1.00 ATOM 247 CA THR 232 29.263 -1.181 51.957 1.00 1.00 ATOM 248 CA ILE 233 26.998 -3.916 53.238 1.00 1.00 ATOM 249 CA GLY 234 26.588 -4.060 57.007 1.00 1.00 ATOM 250 CA SER 235 24.540 -6.115 59.445 1.00 1.00 ATOM 251 CA LYS 236 24.225 -7.415 62.981 1.00 1.00 ATOM 252 CA LYS 237 25.033 -11.005 62.038 1.00 1.00 ATOM 253 CA TYR 238 23.908 -11.850 58.524 1.00 1.00 ATOM 254 CA ASP 239 26.935 -12.665 56.338 1.00 1.00 ATOM 255 CA PRO 240 26.651 -11.465 52.687 1.00 1.00 ATOM 259 CA LEU 241 23.162 -15.681 50.683 1.00 1.00 ATOM 260 CA ALA 242 20.467 -17.826 49.076 1.00 1.00 ATOM 261 CA VAL 243 21.006 -17.883 45.255 1.00 1.00 ATOM 262 CA GLU 244 17.578 -19.452 44.745 1.00 1.00 ATOM 263 CA ASP 245 15.784 -16.300 45.959 1.00 1.00 ATOM 264 CA SER 246 17.422 -14.427 43.104 1.00 1.00 ATOM 265 CA ARG 247 17.044 -17.169 40.501 1.00 1.00 ATOM 266 CA PHE 248 13.298 -17.293 41.255 1.00 1.00 ATOM 267 CA PHE 249 12.769 -13.522 41.521 1.00 1.00 ATOM 268 CA ASP 250 9.716 -12.472 39.491 1.00 1.00 ATOM 269 CA ILE 251 10.865 -8.953 38.595 1.00 1.00 ATOM 270 CA GLU 252 13.211 -7.574 35.965 1.00 1.00 ATOM 271 CA THR 253 16.904 -7.244 36.811 1.00 1.00 ATOM 272 CA LYS 254 19.223 -5.717 34.226 1.00 1.00 ATOM 273 CA TYR 255 22.474 -5.997 36.185 1.00 1.00 ATOM 274 CA TYR 256 22.138 -7.957 39.432 1.00 1.00 ATOM 275 CA THR 257 22.145 -11.759 39.516 1.00 1.00 ATOM 276 CA LYS 258 23.343 -14.542 41.842 1.00 1.00 ATOM 277 CA ASP 259 26.862 -14.795 40.361 1.00 1.00 ATOM 278 CA ILE 260 27.334 -11.032 40.494 1.00 1.00 ATOM 279 CA HIS 261 26.142 -10.910 44.141 1.00 1.00 ATOM 280 CA LYS 262 28.996 -13.157 45.287 1.00 1.00 ATOM 281 CA ALA 263 31.537 -11.782 42.787 1.00 1.00 ATOM 282 CA ALA 264 30.968 -8.163 43.862 1.00 1.00 ATOM 283 CA PHE 265 32.551 -8.950 47.226 1.00 1.00 ATOM 284 CA VAL 266 35.894 -9.942 45.632 1.00 1.00 ATOM 285 CA LEU 267 38.197 -6.956 46.154 1.00 1.00 ATOM 286 CA PRO 268 41.271 -6.242 44.000 1.00 1.00 ATOM 287 CA LYS 269 44.578 -6.055 45.930 1.00 1.00 ATOM 288 CA PHE 270 44.914 -2.232 45.882 1.00 1.00 ATOM 289 CA VAL 271 41.466 -1.942 47.507 1.00 1.00 ATOM 290 CA SER 272 42.278 -4.569 50.139 1.00 1.00 ATOM 291 CA ASP 273 45.500 -2.693 50.903 1.00 1.00 ATOM 292 CA LEU 274 43.623 0.604 51.297 1.00 1.00 ATOM 293 CA ILE 275 41.225 -0.976 53.818 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 14:44:29 2002 Date: Mon, 19 Aug 2002 14:44:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0179 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 Mon Aug 19 14:16:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_309428_28229 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0179TS007_5 Current information on models submitted in prediction T0179TS007 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_5 PIN_309428_28229 6269-7633-6117 08/19/02 14:16:24 casp5@bialko.llnl.gov T0179TS007_3 PIN_418912_28084 6269-7633-6117 08/19/02 13:27:27 casp5@bialko.llnl.gov T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 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 T0179 MODEL_INDEX PIN CODE DATE E-mail T0179TS007_1 PIN_338789_28059 6269-7633-6117 08/19/02 13:19:22 casp5@bialko.llnl.gov T0179TS007_2 PIN_378869_28071 6269-7633-6117 08/19/02 13:23:20 casp5@bialko.llnl.gov T0179TS007_3 PIN_418912_28084 6269-7633-6117 08/19/02 13:27:27 casp5@bialko.llnl.gov T0179TS007_4 PIN_319115_28053 6269-7633-6117 08/19/02 13:17:28 casp5@bialko.llnl.gov T0179TS007_5 PIN_309428_28229 6269-7633-6117 08/19/02 14:16:24 casp5@bialko.llnl.gov T0179SS007_1 PIN_632720_21238 6269-7633-6117 08/12/02 20:50:54 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 T0179 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JQ3_C # Loading PARENT structure: 1jq3 (chain: C) # Number of residues in PARENT structure: 293 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue E 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue F 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue H 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue M 53 # IMPORTANT NOTE! Not complete main chain atoms for residue T 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue K 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue H 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue H 97 # IMPORTANT NOTE! Not complete main chain atoms for residue P 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue M 141 # IMPORTANT NOTE! Not complete main chain atoms for residue H 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue N 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue M 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # IMPORTANT NOTE! Not complete main chain atoms for residue P 163 # IMPORTANT NOTE! Not complete main chain atoms for residue A 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue N 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue T 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 172 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue I 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue P 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue L 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue T 201 # IMPORTANT NOTE! Not complete main chain atoms for residue N 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 204 # IMPORTANT NOTE! Not complete main chain atoms for residue R 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue N 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue P 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue W 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue G 234 # IMPORTANT NOTE! Not complete main chain atoms for residue S 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue P 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue D 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue R 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue F 249 # IMPORTANT NOTE! Not complete main chain atoms for residue D 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 256 # IMPORTANT NOTE! Not complete main chain atoms for residue T 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue I 260 # IMPORTANT NOTE! Not complete main chain atoms for residue H 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue A 263 # IMPORTANT NOTE! Not complete main chain atoms for residue A 264 # IMPORTANT NOTE! Not complete main chain atoms for residue F 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue F 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue S 272 # IMPORTANT NOTE! Not complete main chain atoms for residue D 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue I 275 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0179 # Total number of residues in target: 276 # Total number of residues in model: 272 # Total number of atoms in model: 272 # Number of atoms with 1.0 occupancy: 272 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 272 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0179 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JQ3_C ATOM 17 CA LEU 4 45.932 23.302 29.344 1.00 1.00 ATOM 18 CA TRP 5 43.647 20.360 28.612 1.00 1.00 ATOM 19 CA TYR 6 43.426 16.967 26.900 1.00 1.00 ATOM 20 CA THR 7 39.945 15.971 25.682 1.00 1.00 ATOM 21 CA GLU 8 39.245 12.346 24.736 1.00 1.00 ATOM 22 CA LYS 9 36.044 11.567 22.802 1.00 1.00 ATOM 23 CA GLN 10 34.301 8.234 23.281 1.00 1.00 ATOM 24 CA THR 11 32.653 6.305 20.450 1.00 1.00 ATOM 25 CA LYS 12 29.690 8.319 19.206 1.00 1.00 ATOM 27 CA ASN 13 28.603 12.508 22.674 1.00 1.00 ATOM 28 CA PHE 14 30.579 11.805 25.842 1.00 1.00 ATOM 29 CA GLY 15 34.276 11.995 26.738 1.00 1.00 ATOM 30 CA ILE 16 36.939 12.505 29.386 1.00 1.00 ATOM 31 CA THR 17 39.026 15.623 29.938 1.00 1.00 ATOM 32 CA MET 18 42.337 15.816 31.771 1.00 1.00 ATOM 33 CA LYS 19 44.384 18.770 32.982 1.00 1.00 ATOM 34 CA VAL 20 47.943 18.848 31.612 1.00 1.00 ATOM 35 CA ASN 21 50.748 20.246 33.770 1.00 1.00 ATOM 36 CA LYS 22 53.100 19.731 30.831 1.00 1.00 ATOM 37 CA THR 23 53.389 17.869 27.565 1.00 1.00 ATOM 38 CA LEU 24 56.319 15.465 27.736 1.00 1.00 ATOM 39 CA HIS 25 56.348 14.323 24.099 1.00 1.00 ATOM 40 CA THR 26 54.271 14.729 20.946 1.00 1.00 ATOM 41 CA GLU 27 55.293 12.793 17.863 1.00 1.00 ATOM 42 CA GLN 28 53.846 11.581 14.574 1.00 1.00 ATOM 43 CA THR 29 54.773 8.290 12.894 1.00 1.00 ATOM 44 CA GLU 30 53.637 7.048 9.484 1.00 1.00 ATOM 45 CA PHE 31 50.859 5.266 11.410 1.00 1.00 ATOM 46 CA GLN 32 49.571 7.492 14.215 1.00 1.00 ATOM 47 CA HIS 33 50.110 10.450 16.517 1.00 1.00 ATOM 48 CA LEU 34 51.591 9.935 19.980 1.00 1.00 ATOM 49 CA GLU 35 51.007 12.275 22.941 1.00 1.00 ATOM 50 CA MET 36 52.505 11.803 26.377 1.00 1.00 ATOM 51 CA VAL 37 51.745 14.358 29.094 1.00 1.00 ATOM 52 CA GLU 38 51.601 14.835 32.814 1.00 1.00 ATOM 53 CA THR 39 48.334 15.086 34.769 1.00 1.00 ATOM 54 CA GLU 40 48.401 16.069 38.491 1.00 1.00 ATOM 55 CA GLU 41 46.330 13.046 39.587 1.00 1.00 ATOM 56 CA PHE 42 47.083 10.369 36.968 1.00 1.00 ATOM 57 CA GLY 43 50.765 11.062 36.429 1.00 1.00 ATOM 58 CA ASN 44 52.159 10.288 32.981 1.00 1.00 ATOM 59 CA MET 45 49.425 9.694 30.372 1.00 1.00 ATOM 60 CA LEU 46 50.031 8.103 26.964 1.00 1.00 ATOM 61 CA PHE 47 47.473 8.680 24.225 1.00 1.00 ATOM 62 CA LEU 48 47.423 7.468 20.590 1.00 1.00 ATOM 63 CA ASP 49 45.382 9.577 18.161 1.00 1.00 ATOM 64 CA GLY 50 43.675 11.191 21.149 1.00 1.00 ATOM 65 CA MET 51 42.625 7.884 22.734 1.00 1.00 ATOM 66 CA VAL 52 43.985 7.154 26.224 1.00 1.00 ATOM 67 CA MET 53 46.220 4.071 26.171 1.00 1.00 ATOM 68 CA THR 54 47.852 4.143 29.621 1.00 1.00 ATOM 69 CA SER 55 48.003 6.223 32.755 1.00 1.00 ATOM 70 CA GLU 56 50.651 5.739 35.469 1.00 1.00 ATOM 71 CA LYS 57 48.115 5.656 38.248 1.00 1.00 ATOM 72 CA ASP 58 46.015 2.797 36.931 1.00 1.00 ATOM 73 CA GLU 59 47.587 0.880 34.054 1.00 1.00 ATOM 74 CA PHE 60 48.186 -2.043 36.395 1.00 1.00 ATOM 75 CA VAL 61 44.453 -2.834 36.444 1.00 1.00 ATOM 76 CA TYR 62 44.350 -3.464 32.695 1.00 1.00 ATOM 77 CA HIS 63 47.701 -5.114 32.256 1.00 1.00 ATOM 78 CA GLU 64 47.217 -7.490 35.183 1.00 1.00 ATOM 79 CA MET 65 43.816 -8.699 34.086 1.00 1.00 ATOM 80 CA VAL 66 44.838 -9.079 30.437 1.00 1.00 ATOM 81 CA ALA 67 47.990 -11.025 31.285 1.00 1.00 ATOM 82 CA HIS 68 47.485 -12.942 34.517 1.00 1.00 ATOM 83 CA VAL 69 44.203 -14.722 33.730 1.00 1.00 ATOM 84 CA PRO 70 45.638 -16.717 30.789 1.00 1.00 ATOM 85 CA LEU 71 49.135 -17.016 32.316 1.00 1.00 ATOM 86 CA PHE 72 47.925 -18.612 35.565 1.00 1.00 ATOM 87 CA THR 73 45.535 -20.886 33.656 1.00 1.00 ATOM 88 CA HIS 74 48.242 -22.377 31.430 1.00 1.00 ATOM 89 CA PRO 75 50.010 -25.446 32.978 1.00 1.00 ATOM 90 CA ASN 76 53.535 -24.219 32.176 1.00 1.00 ATOM 91 CA PRO 77 53.724 -21.155 29.900 1.00 1.00 ATOM 92 CA GLU 78 57.164 -20.981 28.349 1.00 1.00 ATOM 93 CA HIS 79 56.631 -19.205 25.019 1.00 1.00 ATOM 94 CA VAL 80 54.375 -16.159 24.904 1.00 1.00 ATOM 95 CA LEU 81 53.426 -13.826 22.061 1.00 1.00 ATOM 96 CA VAL 82 51.850 -10.427 22.804 1.00 1.00 ATOM 97 CA VAL 83 50.406 -8.475 19.876 1.00 1.00 ATOM 98 CA GLY 84 50.016 -4.733 20.382 1.00 1.00 ATOM 99 CA GLY 85 50.720 -3.043 23.708 1.00 1.00 ATOM 100 CA GLY 86 53.755 -1.026 22.640 1.00 1.00 ATOM 101 CA ASP 87 53.859 0.598 26.089 1.00 1.00 ATOM 102 CA GLY 88 55.130 -2.757 27.421 1.00 1.00 ATOM 103 CA GLY 89 52.797 -3.245 30.397 1.00 1.00 ATOM 104 CA VAL 90 51.485 -6.634 29.338 1.00 1.00 ATOM 105 CA ILE 91 55.056 -7.765 28.657 1.00 1.00 ATOM 106 CA ARG 92 56.074 -6.654 32.168 1.00 1.00 ATOM 107 CA GLU 93 53.290 -8.730 33.751 1.00 1.00 ATOM 108 CA ILE 94 54.016 -11.777 31.587 1.00 1.00 ATOM 109 CA LEU 95 57.698 -11.663 32.575 1.00 1.00 ATOM 110 CA LYS 96 56.720 -12.016 36.256 1.00 1.00 ATOM 111 CA HIS 97 55.982 -15.671 35.512 1.00 1.00 ATOM 112 CA PRO 98 59.153 -17.700 36.144 1.00 1.00 ATOM 113 CA SER 99 58.119 -20.364 33.626 1.00 1.00 ATOM 114 CA VAL 100 58.520 -17.894 30.739 1.00 1.00 ATOM 115 CA LYS 101 61.563 -18.566 28.561 1.00 1.00 ATOM 116 CA LYS 102 60.619 -16.372 25.600 1.00 1.00 ATOM 117 CA ALA 103 58.083 -13.532 25.346 1.00 1.00 ATOM 118 CA THR 104 57.744 -11.765 21.997 1.00 1.00 ATOM 119 CA LEU 105 56.208 -8.282 21.830 1.00 1.00 ATOM 120 CA VAL 106 54.941 -7.616 18.304 1.00 1.00 ATOM 121 CA ASP 107 54.258 -3.889 17.886 1.00 1.00 ATOM 122 CA ILE 108 53.331 -2.344 14.543 1.00 1.00 ATOM 123 CA ASP 109 54.789 1.114 15.257 1.00 1.00 ATOM 124 CA GLY 110 58.469 1.494 16.044 1.00 1.00 ATOM 125 CA LYS 111 57.926 5.076 17.251 1.00 1.00 ATOM 126 CA VAL 112 55.714 3.746 20.043 1.00 1.00 ATOM 127 CA ILE 113 58.480 1.416 21.227 1.00 1.00 ATOM 128 CA GLU 114 61.014 4.237 21.106 1.00 1.00 ATOM 129 CA TYR 115 58.800 6.724 22.928 1.00 1.00 ATOM 130 CA SER 116 57.930 4.091 25.573 1.00 1.00 ATOM 131 CA LYS 117 61.622 3.466 26.243 1.00 1.00 ATOM 132 CA LYS 118 62.241 7.143 26.924 1.00 1.00 ATOM 133 CA PHE 119 58.986 8.300 28.470 1.00 1.00 ATOM 134 CA LEU 120 56.954 5.337 29.757 1.00 1.00 ATOM 135 CA PRO 121 59.495 3.634 31.995 1.00 1.00 ATOM 136 CA SER 122 56.813 2.263 34.302 1.00 1.00 ATOM 137 CA ILE 123 55.511 -0.020 31.566 1.00 1.00 ATOM 138 CA ALA 124 58.578 -0.458 29.288 1.00 1.00 ATOM 139 CA GLY 125 60.837 -1.786 32.064 1.00 1.00 ATOM 140 CA LYS 126 60.717 -5.319 30.606 1.00 1.00 ATOM 141 CA LEU 127 61.836 -4.465 27.056 1.00 1.00 ATOM 142 CA ASP 128 65.423 -5.484 27.796 1.00 1.00 ATOM 143 CA ASP 129 64.749 -8.663 29.754 1.00 1.00 ATOM 144 CA PRO 130 66.978 -11.392 28.174 1.00 1.00 ATOM 145 CA ARG 131 63.782 -13.458 27.589 1.00 1.00 ATOM 146 CA VAL 132 62.043 -10.629 25.728 1.00 1.00 ATOM 147 CA ASP 133 62.115 -9.986 21.990 1.00 1.00 ATOM 148 CA VAL 134 60.566 -6.908 20.382 1.00 1.00 ATOM 149 CA GLN 135 59.412 -7.308 16.775 1.00 1.00 ATOM 150 CA VAL 136 58.168 -4.367 14.721 1.00 1.00 ATOM 151 CA ASP 137 55.459 -5.863 12.519 1.00 1.00 ATOM 152 CA ASP 138 51.750 -6.107 11.731 1.00 1.00 ATOM 153 CA GLY 139 50.459 -8.762 14.140 1.00 1.00 ATOM 154 CA PHE 140 48.022 -10.279 11.647 1.00 1.00 ATOM 155 CA MET 141 50.916 -10.978 9.269 1.00 1.00 ATOM 156 CA HIS 142 53.425 -11.985 11.937 1.00 1.00 ATOM 157 CA ILE 143 51.352 -14.637 13.720 1.00 1.00 ATOM 158 CA ALA 144 50.751 -16.520 10.427 1.00 1.00 ATOM 159 CA LYS 145 54.475 -17.270 10.212 1.00 1.00 ATOM 160 CA SER 146 53.998 -19.686 13.123 1.00 1.00 ATOM 161 CA GLU 147 52.267 -23.022 13.735 1.00 1.00 ATOM 162 CA ASN 148 52.135 -25.059 16.968 1.00 1.00 ATOM 163 CA GLN 149 54.649 -22.615 18.452 1.00 1.00 ATOM 164 CA TYR 150 53.275 -20.665 21.435 1.00 1.00 ATOM 165 CA ASP 151 51.824 -21.556 24.816 1.00 1.00 ATOM 166 CA VAL 152 50.065 -18.204 25.229 1.00 1.00 ATOM 167 CA ILE 153 48.935 -15.469 22.856 1.00 1.00 ATOM 168 CA MET 154 47.604 -12.144 24.180 1.00 1.00 ATOM 169 CA VAL 155 46.089 -9.434 21.993 1.00 1.00 ATOM 170 CA ASP 156 46.584 -6.039 23.651 1.00 1.00 ATOM 171 CA SER 157 45.358 -2.819 22.079 1.00 1.00 ATOM 172 CA THR 158 45.791 -2.420 18.381 1.00 1.00 ATOM 173 CA GLU 159 44.511 0.109 15.832 1.00 1.00 ATOM 174 CA PRO 160 42.080 1.798 18.269 1.00 1.00 ATOM 176 CA VAL 161 39.690 1.258 13.171 1.00 1.00 ATOM 177 CA GLY 162 37.263 -0.191 15.680 1.00 1.00 ATOM 178 CA PRO 163 35.627 -3.552 14.965 1.00 1.00 ATOM 179 CA ALA 164 36.730 -3.417 11.343 1.00 1.00 ATOM 180 CA VAL 165 40.392 -3.670 12.340 1.00 1.00 ATOM 181 CA ASN 166 42.753 -6.412 11.174 1.00 1.00 ATOM 182 CA LEU 167 43.183 -7.806 14.678 1.00 1.00 ATOM 183 CA PHE 168 39.495 -8.608 15.127 1.00 1.00 ATOM 184 CA THR 169 38.876 -10.868 12.090 1.00 1.00 ATOM 185 CA LYS 170 37.981 -14.541 12.203 1.00 1.00 ATOM 186 CA GLY 171 41.000 -15.162 9.941 1.00 1.00 ATOM 187 CA PHE 172 43.335 -13.524 12.461 1.00 1.00 ATOM 188 CA TYR 173 41.877 -15.482 15.398 1.00 1.00 ATOM 189 CA ALA 174 42.253 -18.714 13.372 1.00 1.00 ATOM 190 CA GLY 175 45.912 -17.830 12.721 1.00 1.00 ATOM 191 CA ILE 176 46.308 -17.333 16.496 1.00 1.00 ATOM 192 CA ALA 177 44.672 -20.704 17.129 1.00 1.00 ATOM 193 CA LYS 178 47.013 -22.380 14.622 1.00 1.00 ATOM 194 CA ALA 179 50.100 -20.655 16.090 1.00 1.00 ATOM 195 CA LEU 180 49.254 -21.993 19.565 1.00 1.00 ATOM 196 CA LYS 181 50.372 -25.427 20.708 1.00 1.00 ATOM 197 CA GLU 182 47.863 -28.243 21.404 1.00 1.00 ATOM 198 CA ASP 183 47.078 -26.986 24.939 1.00 1.00 ATOM 199 CA GLY 184 47.625 -23.266 24.323 1.00 1.00 ATOM 200 CA ILE 185 45.605 -20.429 25.846 1.00 1.00 ATOM 201 CA PHE 186 44.635 -16.973 24.671 1.00 1.00 ATOM 202 CA VAL 187 43.322 -13.608 25.887 1.00 1.00 ATOM 203 CA ALA 188 42.296 -10.475 24.025 1.00 1.00 ATOM 204 CA GLN 189 41.115 -7.071 25.238 1.00 1.00 ATOM 205 CA THR 190 37.539 -6.876 23.916 1.00 1.00 ATOM 206 CA ASP 191 36.495 -3.316 24.714 1.00 1.00 ATOM 207 CA ASN 192 33.865 -1.748 26.941 1.00 1.00 ATOM 208 CA PRO 193 30.371 -3.288 26.586 1.00 1.00 ATOM 209 CA TRP 194 28.829 0.193 26.851 1.00 1.00 ATOM 210 CA PHE 195 29.997 2.755 24.259 1.00 1.00 ATOM 211 CA THR 196 31.485 -0.071 22.145 1.00 1.00 ATOM 212 CA PRO 197 28.930 -2.809 22.679 1.00 1.00 ATOM 213 CA GLU 198 28.907 -3.816 19.003 1.00 1.00 ATOM 214 CA LEU 199 32.690 -4.205 18.789 1.00 1.00 ATOM 215 CA ILE 200 32.637 -6.225 22.019 1.00 1.00 ATOM 216 CA THR 201 29.941 -8.621 20.691 1.00 1.00 ATOM 217 CA ASN 202 31.778 -8.976 17.385 1.00 1.00 ATOM 218 CA VAL 203 35.115 -9.896 19.006 1.00 1.00 ATOM 219 CA GLN 204 33.442 -12.506 21.251 1.00 1.00 ATOM 220 CA ARG 205 31.477 -13.949 18.330 1.00 1.00 ATOM 221 CA ASP 206 34.540 -14.326 16.083 1.00 1.00 ATOM 222 CA VAL 207 36.810 -15.687 18.818 1.00 1.00 ATOM 223 CA LYS 208 34.109 -18.220 19.737 1.00 1.00 ATOM 224 CA GLU 209 33.797 -19.451 16.145 1.00 1.00 ATOM 225 CA ILE 210 37.467 -20.470 16.415 1.00 1.00 ATOM 226 CA PHE 211 38.156 -21.675 19.989 1.00 1.00 ATOM 227 CA PRO 212 36.146 -24.438 21.723 1.00 1.00 ATOM 228 CA ILE 213 36.371 -22.589 25.031 1.00 1.00 ATOM 229 CA THR 214 35.610 -18.855 24.929 1.00 1.00 ATOM 230 CA LYS 215 34.713 -16.889 28.086 1.00 1.00 ATOM 231 CA LEU 216 34.379 -13.166 28.719 1.00 1.00 ATOM 232 CA TYR 217 35.775 -11.695 31.937 1.00 1.00 ATOM 233 CA THR 218 35.479 -8.116 33.195 1.00 1.00 ATOM 234 CA ALA 219 37.638 -5.688 35.089 1.00 1.00 ATOM 235 CA ASN 220 37.659 -2.124 36.331 1.00 1.00 ATOM 236 CA ILE 221 39.851 0.267 34.305 1.00 1.00 ATOM 237 CA PRO 222 39.571 3.670 35.918 1.00 1.00 ATOM 238 CA THR 223 40.547 5.814 32.937 1.00 1.00 ATOM 239 CA TYR 224 39.173 3.813 29.965 1.00 1.00 ATOM 240 CA PRO 225 35.767 4.654 28.378 1.00 1.00 ATOM 241 CA SER 226 32.954 3.751 30.844 1.00 1.00 ATOM 242 CA GLY 227 35.376 2.193 33.319 1.00 1.00 ATOM 243 CA LEU 228 33.965 -1.265 32.557 1.00 1.00 ATOM 244 CA TRP 229 36.466 -3.254 30.500 1.00 1.00 ATOM 245 CA THR 230 36.074 -6.686 28.949 1.00 1.00 ATOM 246 CA PHE 231 38.605 -9.350 28.057 1.00 1.00 ATOM 247 CA THR 232 37.999 -12.627 26.263 1.00 1.00 ATOM 248 CA ILE 233 39.796 -15.758 27.385 1.00 1.00 ATOM 249 CA GLY 234 39.900 -18.677 24.968 1.00 1.00 ATOM 250 CA SER 235 41.635 -22.047 24.859 1.00 1.00 ATOM 251 CA LYS 236 41.635 -25.487 23.279 1.00 1.00 ATOM 252 CA LYS 237 40.232 -27.076 26.414 1.00 1.00 ATOM 253 CA TYR 238 41.490 -25.343 29.533 1.00 1.00 ATOM 254 CA ASP 239 38.475 -23.908 31.369 1.00 1.00 ATOM 255 CA PRO 240 38.985 -20.580 33.204 1.00 1.00 ATOM 259 CA LEU 241 41.918 -22.563 37.931 1.00 1.00 ATOM 260 CA ALA 242 44.262 -23.427 40.805 1.00 1.00 ATOM 261 CA VAL 243 44.145 -20.604 43.423 1.00 1.00 ATOM 262 CA GLU 244 47.307 -21.942 45.024 1.00 1.00 ATOM 263 CA ASP 245 49.420 -20.768 42.071 1.00 1.00 ATOM 264 CA SER 246 48.271 -17.201 42.703 1.00 1.00 ATOM 265 CA ARG 247 48.545 -17.439 46.506 1.00 1.00 ATOM 266 CA PHE 248 52.137 -18.669 46.196 1.00 1.00 ATOM 267 CA PHE 249 53.126 -16.247 43.413 1.00 1.00 ATOM 268 CA ASP 250 56.459 -14.622 44.271 1.00 1.00 ATOM 269 CA ILE 251 55.830 -11.296 42.488 1.00 1.00 ATOM 270 CA GLU 252 53.885 -8.116 43.277 1.00 1.00 ATOM 271 CA THR 253 50.258 -7.879 42.085 1.00 1.00 ATOM 272 CA LYS 254 48.271 -4.675 42.646 1.00 1.00 ATOM 273 CA TYR 255 44.921 -5.865 41.265 1.00 1.00 ATOM 274 CA TYR 256 44.743 -9.534 40.438 1.00 1.00 ATOM 275 CA THR 257 44.205 -12.218 43.104 1.00 1.00 ATOM 276 CA LYS 258 42.408 -15.594 43.446 1.00 1.00 ATOM 277 CA ASP 259 38.959 -14.160 44.353 1.00 1.00 ATOM 278 CA ILE 260 39.156 -11.586 41.581 1.00 1.00 ATOM 279 CA HIS 261 40.091 -14.267 39.029 1.00 1.00 ATOM 280 CA LYS 262 36.885 -16.190 39.696 1.00 1.00 ATOM 281 CA ALA 263 34.767 -13.065 40.213 1.00 1.00 ATOM 282 CA ALA 264 35.770 -11.468 36.902 1.00 1.00 ATOM 283 CA PHE 265 33.831 -14.205 35.082 1.00 1.00 ATOM 284 CA VAL 266 30.503 -13.256 36.741 1.00 1.00 ATOM 285 CA LEU 267 28.666 -11.226 34.093 1.00 1.00 ATOM 286 CA PRO 268 25.890 -8.695 34.859 1.00 1.00 ATOM 287 CA LYS 269 22.546 -9.487 33.201 1.00 1.00 ATOM 288 CA PHE 270 22.831 -6.874 30.422 1.00 1.00 ATOM 289 CA VAL 271 26.161 -8.364 29.304 1.00 1.00 ATOM 290 CA SER 272 24.767 -11.911 29.376 1.00 1.00 ATOM 291 CA ASP 273 21.806 -10.820 27.244 1.00 1.00 ATOM 292 CA LEU 274 24.105 -9.130 24.747 1.00 1.00 ATOM 293 CA ILE 275 26.134 -12.360 24.339 1.00 1.00 TER END ################################ # # # END # # # ################################