From mailer@bialko.llnl.gov Wed Aug 7 20:39:07 2002 Date: Wed, 7 Aug 2002 20:39:02 -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 Wed Aug 7 20:11:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_236141_19718 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171SS007_1 Current information on models submitted in prediction T0171SS007 MODEL_INDEX PIN CODE DATE E-mail T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 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: 256 # Number of residues with nonzero confidence: 256 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0171 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-23373.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-22331//target-align-22331.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 462.677 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-23373.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc35.28975/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: Wed Aug 7 09:47:38 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-22331//target-align-22331.a2m METHOD METHOD guide seq name: seed-seqs-23373.a2m(1), 256 bases, 63500B75 checksum. METHOD ###end 0 MODEL 1 M C 0.819 N E 0.469 N E 0.584 I E 0.632 W E 0.642 W E 0.641 Q E 0.615 T E 0.558 K E 0.428 G C 0.679 Q C 0.775 G C 0.77 N C 0.747 V C 0.65 H E 0.456 L E 0.719 V E 0.758 L E 0.742 L E 0.647 H C 0.511 G C 0.671 W C 0.634 G C 0.643 L C 0.627 N C 0.597 A H 0.49 E H 0.53 V H 0.563 W H 0.625 R H 0.658 C H 0.671 I H 0.673 D H 0.686 E H 0.695 E H 0.688 L H 0.665 S H 0.598 S H 0.504 H C 0.597 F C 0.545 T E 0.526 L E 0.675 H E 0.684 L E 0.639 V E 0.572 D C 0.514 L C 0.619 P C 0.624 G C 0.65 F C 0.668 G C 0.695 R C 0.707 S C 0.731 R C 0.73 G C 0.723 F C 0.821 G C 0.452 A H 0.617 L H 0.674 S H 0.737 L H 0.774 A H 0.79 D H 0.803 M H 0.821 A H 0.829 E H 0.828 A H 0.824 V H 0.813 L H 0.791 Q H 0.769 Q H 0.614 A C 0.613 P C 0.649 D C 0.634 K C 0.444 A E 0.605 I E 0.679 W E 0.697 L E 0.649 G E 0.495 W C 0.521 S C 0.568 L H 0.524 G H 0.586 G H 0.632 L H 0.658 V H 0.679 A H 0.696 S H 0.706 Q H 0.709 I H 0.708 A H 0.695 L H 0.652 T H 0.548 H C 0.696 P H 0.482 E H 0.561 R H 0.533 V H 0.394 Q E 0.377 A E 0.494 L E 0.603 V E 0.646 T E 0.637 V E 0.57 A C 0.436 S C 0.572 S C 0.602 P C 0.591 C C 0.583 F C 0.569 S C 0.594 A C 0.579 R C 0.54 D C 0.505 E C 0.496 W C 0.49 P C 0.464 G H 0.437 I H 0.44 K C 0.441 P H 0.538 D H 0.612 V H 0.634 L H 0.674 A H 0.687 G H 0.687 F H 0.678 Q H 0.671 Q H 0.655 Q H 0.622 L H 0.558 S H 0.505 D H 0.466 D C 0.505 F H 0.531 Q H 0.655 R H 0.678 T H 0.681 V H 0.691 E H 0.691 R H 0.689 F H 0.666 L H 0.64 A H 0.61 L H 0.572 Q H 0.527 T H 0.471 M C 0.462 G C 0.563 T C 0.554 E C 0.531 T C 0.538 A C 0.556 R C 0.587 Q H 0.683 D H 0.726 A H 0.735 R H 0.737 A H 0.745 L H 0.738 K H 0.726 K H 0.706 T H 0.684 V H 0.65 L H 0.588 A H 0.552 L H 0.473 P C 0.498 M C 0.553 P C 0.573 E C 0.61 V H 0.525 D H 0.586 V H 0.617 L H 0.65 N H 0.668 G H 0.67 G H 0.667 L H 0.674 E H 0.662 I H 0.639 L H 0.581 K H 0.494 T C 0.502 V C 0.535 D C 0.545 L H 0.564 R H 0.606 Q H 0.628 P H 0.593 L H 0.554 Q H 0.513 N H 0.438 V C 0.545 S C 0.637 M C 0.655 P C 0.613 F E 0.626 L E 0.681 R E 0.7 L E 0.668 Y E 0.54 G C 0.533 Y C 0.637 L C 0.635 D C 0.68 G C 0.586 L C 0.556 V C 0.587 P C 0.654 R H 0.611 K H 0.643 V H 0.662 V H 0.692 P H 0.714 M H 0.713 L H 0.71 D H 0.697 K H 0.664 L H 0.584 W C 0.581 P C 0.626 H C 0.608 S C 0.513 E E 0.459 S E 0.568 Y E 0.616 I E 0.61 F E 0.502 A C 0.528 K C 0.625 A C 0.653 A C 0.691 H C 0.585 A C 0.524 P C 0.473 F C 0.455 I C 0.438 S C 0.475 H C 0.636 P H 0.665 A H 0.745 E H 0.761 F H 0.768 C H 0.783 H H 0.806 L H 0.807 L H 0.809 V H 0.832 A H 0.82 L H 0.792 K H 0.749 Q H 0.64 R H 0.553 V C 0.951 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 08:47:08 2002 Date: Wed, 14 Aug 2002 08:47:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0171 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 08:19:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_331367_23349 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171TS007_4 Current information on models submitted in prediction T0171TS007 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 casp5@bialko.llnl.gov T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1CR6_A # Loading PARENT structure: 1cr6 (chain: A) # Number of residues in PARENT structure: 487 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue W 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue A 72 # IMPORTANT NOTE! Not complete main chain atoms for residue P 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue P 109 # IMPORTANT NOTE! Not complete main chain atoms for residue C 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue W 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue F 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue R 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 156 # IMPORTANT NOTE! Not complete main chain atoms for residue D 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue L 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue P 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue I 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue F 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue G 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue V 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue M 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue W 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue P 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue H 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue F 245 # IMPORTANT NOTE! Not complete main chain atoms for residue C 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0171 # Total number of residues in target: 256 # Total number of residues in model: 247 # Total number of atoms in model: 247 # Number of atoms with 1.0 occupancy: 247 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 247 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0171 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1CR6_A ATOM 247 CA ASN 3 -52.784 -92.980 -36.932 1.00 1.00 ATOM 248 CA ILE 4 -49.667 -94.929 -37.954 1.00 1.00 ATOM 249 CA TRP 5 -46.210 -93.456 -37.326 1.00 1.00 ATOM 250 CA TRP 6 -43.185 -94.465 -39.377 1.00 1.00 ATOM 251 CA GLN 7 -39.687 -93.582 -40.512 1.00 1.00 ATOM 252 CA THR 8 -38.552 -92.977 -44.107 1.00 1.00 ATOM 253 CA LYS 9 -35.246 -93.294 -45.894 1.00 1.00 ATOM 254 CA GLY 10 -34.290 -93.646 -49.525 1.00 1.00 ATOM 255 CA GLN 11 -36.057 -93.205 -52.817 1.00 1.00 ATOM 256 CA GLY 12 -38.407 -95.615 -54.601 1.00 1.00 ATOM 257 CA VAL 14 -39.551 -98.274 -54.883 1.00 1.00 ATOM 258 CA HIS 15 -41.345 -98.777 -51.579 1.00 1.00 ATOM 259 CA LEU 16 -40.773 101.457 -48.945 1.00 1.00 ATOM 260 CA VAL 17 -42.491 101.361 -45.551 1.00 1.00 ATOM 261 CA LEU 18 -40.528 102.988 -42.726 1.00 1.00 ATOM 262 CA LEU 19 -42.958 104.425 -40.167 1.00 1.00 ATOM 263 CA HIS 20 -41.781 105.285 -36.619 1.00 1.00 ATOM 264 CA GLY 21 -42.731 107.831 -33.962 1.00 1.00 ATOM 265 CA TRP 22 -43.468 108.297 -30.283 1.00 1.00 ATOM 266 CA GLY 23 -42.351 106.576 -28.205 1.00 1.00 ATOM 267 CA LEU 24 -40.358 104.208 -30.462 1.00 1.00 ATOM 268 CA ASN 25 -40.449 101.115 -32.720 1.00 1.00 ATOM 269 CA ALA 26 -39.308 -99.632 -36.031 1.00 1.00 ATOM 270 CA GLU 27 -36.013 -99.060 -34.289 1.00 1.00 ATOM 271 CA VAL 28 -35.619 102.803 -34.519 1.00 1.00 ATOM 272 CA TRP 29 -34.887 102.420 -38.252 1.00 1.00 ATOM 273 CA ARG 30 -32.263 -99.780 -37.468 1.00 1.00 ATOM 274 CA CYS 31 -29.605 101.923 -39.128 1.00 1.00 ATOM 275 CA ILE 32 -31.612 102.666 -42.225 1.00 1.00 ATOM 276 CA ASP 33 -33.222 -99.253 -42.771 1.00 1.00 ATOM 277 CA GLU 34 -30.094 -97.492 -44.201 1.00 1.00 ATOM 278 CA GLU 35 -28.611 100.362 -46.184 1.00 1.00 ATOM 279 CA LEU 36 -31.921 101.057 -47.831 1.00 1.00 ATOM 280 CA SER 37 -32.311 -97.376 -48.750 1.00 1.00 ATOM 281 CA SER 38 -28.835 -97.473 -50.157 1.00 1.00 ATOM 283 CA HIS 39 -31.941 -98.455 -53.902 1.00 1.00 ATOM 284 CA PHE 40 -35.284 -98.476 -52.084 1.00 1.00 ATOM 285 CA THR 41 -37.672 -96.118 -50.293 1.00 1.00 ATOM 286 CA LEU 42 -37.804 -97.657 -46.845 1.00 1.00 ATOM 287 CA HIS 43 -40.811 -97.275 -44.503 1.00 1.00 ATOM 288 CA LEU 44 -39.863 -98.723 -41.104 1.00 1.00 ATOM 289 CA VAL 45 -43.373 -98.571 -39.527 1.00 1.00 ATOM 290 CA ASP 46 -44.413 -98.549 -35.797 1.00 1.00 ATOM 291 CA LEU 47 -47.165 101.213 -35.784 1.00 1.00 ATOM 292 CA PRO 48 -50.599 100.513 -34.276 1.00 1.00 ATOM 293 CA GLY 49 -50.304 100.240 -30.479 1.00 1.00 ATOM 294 CA PHE 50 -46.588 -99.442 -30.609 1.00 1.00 ATOM 295 CA GLY 51 -44.448 -96.391 -29.918 1.00 1.00 ATOM 296 CA ARG 52 -45.609 -93.378 -31.894 1.00 1.00 ATOM 297 CA SER 53 -48.703 -94.815 -33.640 1.00 1.00 ATOM 298 CA ARG 54 -52.134 -95.163 -32.021 1.00 1.00 ATOM 299 CA GLY 55 -52.530 -97.728 -29.188 1.00 1.00 ATOM 300 CA PHE 56 -56.267 -98.158 -28.755 1.00 1.00 ATOM 308 CA ALA 58 -55.404 109.453 -37.962 1.00 1.00 ATOM 309 CA LEU 59 -58.137 108.699 -40.477 1.00 1.00 ATOM 310 CA SER 60 -58.231 105.140 -39.111 1.00 1.00 ATOM 311 CA LEU 61 -54.474 104.629 -39.173 1.00 1.00 ATOM 312 CA ALA 62 -54.005 105.950 -42.719 1.00 1.00 ATOM 313 CA ASP 63 -56.821 103.718 -43.917 1.00 1.00 ATOM 314 CA MET 64 -55.519 100.749 -41.940 1.00 1.00 ATOM 315 CA ALA 65 -52.336 101.596 -43.758 1.00 1.00 ATOM 316 CA GLU 66 -53.901 100.941 -47.137 1.00 1.00 ATOM 317 CA ALA 67 -55.459 -97.759 -45.816 1.00 1.00 ATOM 318 CA VAL 68 -51.942 -96.668 -44.861 1.00 1.00 ATOM 319 CA LEU 69 -50.616 -97.173 -48.403 1.00 1.00 ATOM 320 CA GLN 70 -53.721 -95.497 -49.841 1.00 1.00 ATOM 321 CA GLN 71 -53.392 -92.208 -47.913 1.00 1.00 ATOM 322 CA ALA 72 -49.691 -92.185 -48.794 1.00 1.00 ATOM 323 CA PRO 73 -50.667 -92.646 -52.398 1.00 1.00 ATOM 325 CA ASP 74 -50.354 -98.666 -54.931 1.00 1.00 ATOM 326 CA LYS 75 -47.829 101.399 -54.107 1.00 1.00 ATOM 327 CA ALA 76 -45.102 102.168 -51.600 1.00 1.00 ATOM 328 CA ILE 77 -42.764 105.028 -50.772 1.00 1.00 ATOM 329 CA TRP 78 -43.844 106.137 -47.305 1.00 1.00 ATOM 330 CA LEU 79 -41.185 107.550 -45.072 1.00 1.00 ATOM 331 CA GLY 80 -42.486 108.915 -41.776 1.00 1.00 ATOM 332 CA TRP 81 -40.941 110.416 -38.645 1.00 1.00 ATOM 333 CA SER 82 -42.456 112.067 -35.555 1.00 1.00 ATOM 334 CA LEU 83 -46.132 111.154 -35.321 1.00 1.00 ATOM 335 CA GLY 84 -45.993 108.813 -38.339 1.00 1.00 ATOM 336 CA GLY 85 -44.576 111.726 -40.307 1.00 1.00 ATOM 337 CA LEU 86 -47.970 113.265 -39.788 1.00 1.00 ATOM 338 CA VAL 87 -49.757 110.070 -40.889 1.00 1.00 ATOM 339 CA ALA 88 -47.397 109.752 -43.802 1.00 1.00 ATOM 340 CA SER 89 -48.270 113.304 -45.150 1.00 1.00 ATOM 341 CA GLN 90 -51.873 112.360 -44.627 1.00 1.00 ATOM 342 CA ILE 91 -51.252 109.199 -46.592 1.00 1.00 ATOM 343 CA ALA 92 -49.993 111.396 -49.422 1.00 1.00 ATOM 344 CA LEU 93 -52.988 113.627 -48.975 1.00 1.00 ATOM 345 CA THR 94 -55.753 111.049 -48.877 1.00 1.00 ATOM 346 CA HIS 95 -54.281 108.148 -50.852 1.00 1.00 ATOM 347 CA PRO 96 -51.915 109.505 -53.452 1.00 1.00 ATOM 348 CA GLU 97 -52.448 106.394 -55.616 1.00 1.00 ATOM 349 CA ARG 98 -50.863 104.068 -53.088 1.00 1.00 ATOM 350 CA VAL 99 -48.087 106.522 -52.429 1.00 1.00 ATOM 351 CA GLN 100 -45.154 106.389 -54.849 1.00 1.00 ATOM 352 CA ALA 101 -43.547 108.903 -52.507 1.00 1.00 ATOM 353 CA LEU 102 -43.458 110.557 -49.093 1.00 1.00 ATOM 354 CA VAL 103 -40.657 111.664 -46.829 1.00 1.00 ATOM 355 CA THR 104 -40.944 113.088 -43.338 1.00 1.00 ATOM 356 CA VAL 105 -38.171 113.515 -40.837 1.00 1.00 ATOM 357 CA ALA 106 -38.691 116.456 -38.487 1.00 1.00 ATOM 358 CA SER 107 -42.476 116.604 -38.919 1.00 1.00 ATOM 359 CA SER 108 -43.650 119.334 -41.232 1.00 1.00 ATOM 360 CA PRO 109 -46.959 119.211 -42.945 1.00 1.00 ATOM 361 CA CYS 110 -49.166 121.330 -40.680 1.00 1.00 ATOM 362 CA PHE 111 -52.747 121.463 -42.024 1.00 1.00 ATOM 363 CA SER 112 -55.374 122.826 -39.566 1.00 1.00 ATOM 364 CA ALA 113 -57.254 126.115 -39.636 1.00 1.00 ATOM 365 CA ARG 114 -60.994 125.752 -40.072 1.00 1.00 ATOM 366 CA ASP 115 -61.730 128.712 -37.824 1.00 1.00 ATOM 367 CA GLU 116 -59.340 127.697 -35.024 1.00 1.00 ATOM 368 CA TRP 117 -60.189 124.922 -32.581 1.00 1.00 ATOM 369 CA PRO 118 -57.266 122.443 -32.859 1.00 1.00 ATOM 370 CA GLY 119 -57.042 122.290 -29.090 1.00 1.00 ATOM 371 CA ILE 120 -56.428 126.008 -28.666 1.00 1.00 ATOM 372 CA LYS 121 -53.413 125.847 -30.960 1.00 1.00 ATOM 392 CA PRO 122 -49.069 106.061 -18.789 1.00 1.00 ATOM 393 CA ASP 123 -48.609 105.657 -15.103 1.00 1.00 ATOM 394 CA VAL 124 -45.574 107.997 -15.216 1.00 1.00 ATOM 395 CA LEU 125 -43.783 106.573 -18.236 1.00 1.00 ATOM 396 CA ALA 126 -44.544 102.969 -17.356 1.00 1.00 ATOM 397 CA GLY 127 -43.361 103.224 -13.660 1.00 1.00 ATOM 398 CA PHE 128 -39.707 102.584 -14.477 1.00 1.00 ATOM 399 CA GLN 129 -39.224 102.011 -18.206 1.00 1.00 ATOM 400 CA GLN 130 -35.452 102.044 -17.928 1.00 1.00 ATOM 401 CA GLN 131 -35.371 105.754 -16.986 1.00 1.00 ATOM 402 CA LEU 132 -38.296 106.562 -19.283 1.00 1.00 ATOM 403 CA SER 133 -36.162 105.714 -22.341 1.00 1.00 ATOM 404 CA ASP 134 -32.746 106.933 -21.200 1.00 1.00 ATOM 405 CA ASP 135 -34.654 110.173 -20.661 1.00 1.00 ATOM 406 CA PHE 136 -36.392 110.339 -24.022 1.00 1.00 ATOM 407 CA GLN 137 -33.483 109.198 -26.159 1.00 1.00 ATOM 408 CA ARG 138 -30.634 111.633 -25.712 1.00 1.00 ATOM 409 CA THR 139 -28.638 113.652 -28.304 1.00 1.00 ATOM 410 CA VAL 140 -29.099 117.342 -29.071 1.00 1.00 ATOM 411 CA GLU 141 -26.016 118.084 -26.950 1.00 1.00 ATOM 412 CA ARG 142 -26.926 116.346 -23.662 1.00 1.00 ATOM 413 CA PHE 143 -28.618 117.118 -20.331 1.00 1.00 ATOM 414 CA LEU 144 -31.189 114.929 -18.509 1.00 1.00 ATOM 415 CA ALA 145 -33.942 116.191 -20.829 1.00 1.00 ATOM 416 CA LEU 146 -37.746 115.998 -20.951 1.00 1.00 ATOM 417 CA GLN 147 -40.134 118.644 -19.559 1.00 1.00 ATOM 418 CA THR 148 -42.031 119.447 -22.784 1.00 1.00 ATOM 419 CA MET 149 -42.642 122.993 -21.520 1.00 1.00 ATOM 420 CA GLY 150 -43.429 122.761 -17.846 1.00 1.00 ATOM 421 CA THR 151 -44.968 119.182 -17.884 1.00 1.00 ATOM 439 CA GLU 152 -24.181 108.271 -25.908 1.00 1.00 ATOM 440 CA THR 153 -26.789 107.745 -28.598 1.00 1.00 ATOM 441 CA ALA 154 -28.044 104.350 -27.383 1.00 1.00 ATOM 442 CA ARG 155 -26.625 101.161 -25.805 1.00 1.00 ATOM 443 CA GLN 156 -27.972 -99.379 -22.714 1.00 1.00 ATOM 444 CA ASP 157 -28.921 -96.599 -25.085 1.00 1.00 ATOM 445 CA ALA 158 -30.649 -98.968 -27.494 1.00 1.00 ATOM 446 CA ARG 159 -32.530 100.426 -24.568 1.00 1.00 ATOM 447 CA ALA 160 -33.457 -97.007 -23.234 1.00 1.00 ATOM 448 CA LEU 161 -35.029 -96.163 -26.568 1.00 1.00 ATOM 449 CA LYS 162 -37.451 -99.066 -26.237 1.00 1.00 ATOM 450 CA LYS 163 -38.247 -98.000 -22.665 1.00 1.00 ATOM 451 CA THR 164 -39.282 -94.491 -23.648 1.00 1.00 ATOM 452 CA VAL 165 -41.058 -95.894 -26.683 1.00 1.00 ATOM 453 CA LEU 166 -43.122 -98.198 -24.507 1.00 1.00 ATOM 454 CA ALA 167 -43.441 -95.656 -21.706 1.00 1.00 ATOM 455 CA LEU 168 -45.967 -94.102 -24.135 1.00 1.00 ATOM 456 CA PRO 169 -48.135 -97.112 -24.954 1.00 1.00 ATOM 457 CA MET 170 -47.646 -99.489 -22.082 1.00 1.00 ATOM 458 CA PRO 171 -48.191 103.076 -23.214 1.00 1.00 ATOM 460 CA GLU 172 -52.059 102.586 -27.210 1.00 1.00 ATOM 461 CA VAL 173 -48.997 104.645 -28.158 1.00 1.00 ATOM 462 CA ASP 174 -50.229 107.660 -26.138 1.00 1.00 ATOM 463 CA VAL 175 -53.709 107.558 -27.692 1.00 1.00 ATOM 464 CA LEU 176 -52.013 109.016 -30.791 1.00 1.00 ATOM 465 CA ASN 177 -52.181 112.358 -29.030 1.00 1.00 ATOM 466 CA GLY 178 -55.731 111.869 -27.769 1.00 1.00 ATOM 467 CA GLY 179 -57.487 112.357 -31.115 1.00 1.00 ATOM 468 CA LEU 180 -56.798 116.056 -31.563 1.00 1.00 ATOM 469 CA GLU 181 -60.383 117.102 -32.383 1.00 1.00 ATOM 470 CA ILE 182 -61.539 114.530 -34.876 1.00 1.00 ATOM 471 CA LEU 183 -58.083 114.360 -36.420 1.00 1.00 ATOM 472 CA LYS 184 -58.647 118.093 -36.993 1.00 1.00 ATOM 473 CA THR 185 -62.201 117.581 -38.323 1.00 1.00 ATOM 474 CA VAL 186 -60.954 114.908 -40.725 1.00 1.00 ATOM 475 CA ASP 187 -57.871 116.649 -42.159 1.00 1.00 ATOM 476 CA LEU 188 -59.995 119.723 -42.752 1.00 1.00 ATOM 477 CA ARG 189 -61.397 117.782 -45.674 1.00 1.00 ATOM 478 CA GLN 190 -58.222 118.170 -47.666 1.00 1.00 ATOM 479 CA PRO 191 -57.639 121.866 -47.125 1.00 1.00 ATOM 480 CA LEU 192 -58.554 122.452 -50.742 1.00 1.00 ATOM 481 CA GLN 193 -55.984 119.916 -51.920 1.00 1.00 ATOM 482 CA ASN 194 -52.344 119.981 -52.868 1.00 1.00 ATOM 483 CA VAL 195 -49.675 117.369 -52.404 1.00 1.00 ATOM 484 CA SER 196 -48.430 116.628 -55.887 1.00 1.00 ATOM 485 CA MET 197 -46.798 113.174 -55.590 1.00 1.00 ATOM 486 CA PRO 198 -43.024 113.348 -54.844 1.00 1.00 ATOM 487 CA PHE 199 -42.277 114.710 -51.358 1.00 1.00 ATOM 488 CA LEU 200 -39.147 115.318 -49.317 1.00 1.00 ATOM 489 CA ARG 201 -38.930 117.189 -46.022 1.00 1.00 ATOM 490 CA LEU 202 -35.933 116.799 -43.832 1.00 1.00 ATOM 491 CA TYR 203 -35.525 119.106 -40.945 1.00 1.00 ATOM 492 CA GLY 204 -33.345 118.766 -37.815 1.00 1.00 ATOM 493 CA TYR 205 -31.554 121.936 -36.660 1.00 1.00 ATOM 494 CA LEU 206 -31.907 121.430 -32.857 1.00 1.00 ATOM 495 CA ASP 207 -35.231 119.621 -32.539 1.00 1.00 ATOM 496 CA GLY 208 -36.891 121.550 -29.747 1.00 1.00 ATOM 497 CA LEU 209 -40.543 120.693 -30.518 1.00 1.00 ATOM 498 CA VAL 210 -40.863 120.173 -34.273 1.00 1.00 ATOM 499 CA PRO 211 -38.400 122.926 -35.178 1.00 1.00 ATOM 500 CA ARG 212 -37.337 123.571 -38.795 1.00 1.00 ATOM 501 CA LYS 213 -39.145 126.952 -38.638 1.00 1.00 ATOM 502 CA VAL 214 -42.526 125.115 -38.494 1.00 1.00 ATOM 503 CA VAL 215 -42.212 124.224 -42.184 1.00 1.00 ATOM 504 CA PRO 216 -41.403 127.483 -44.039 1.00 1.00 ATOM 505 CA MET 217 -44.955 127.655 -45.427 1.00 1.00 ATOM 506 CA LEU 218 -45.054 123.970 -46.482 1.00 1.00 ATOM 507 CA ASP 219 -44.627 124.588 -50.212 1.00 1.00 ATOM 508 CA LYS 220 -47.891 126.553 -50.076 1.00 1.00 ATOM 509 CA LEU 221 -49.391 123.085 -50.210 1.00 1.00 ATOM 510 CA TRP 222 -46.506 120.973 -51.436 1.00 1.00 ATOM 511 CA PRO 223 -44.750 122.701 -54.304 1.00 1.00 ATOM 512 CA HIS 224 -41.698 120.888 -55.732 1.00 1.00 ATOM 513 CA SER 225 -41.275 119.719 -52.155 1.00 1.00 ATOM 514 CA GLU 226 -37.570 118.754 -52.191 1.00 1.00 ATOM 515 CA SER 227 -35.715 119.302 -48.919 1.00 1.00 ATOM 516 CA TYR 228 -32.945 118.135 -46.687 1.00 1.00 ATOM 517 CA ILE 229 -31.521 119.516 -43.474 1.00 1.00 ATOM 518 CA PHE 230 -29.293 117.906 -40.825 1.00 1.00 ATOM 519 CA ALA 231 -27.313 120.218 -38.441 1.00 1.00 ATOM 520 CA LYS 232 -26.438 119.533 -34.764 1.00 1.00 ATOM 521 CA ALA 233 -29.382 117.123 -34.784 1.00 1.00 ATOM 522 CA ALA 234 -32.147 116.581 -32.236 1.00 1.00 ATOM 523 CA HIS 235 -35.490 114.776 -32.409 1.00 1.00 ATOM 524 CA ALA 236 -34.206 111.256 -32.790 1.00 1.00 ATOM 525 CA PRO 237 -32.909 112.026 -36.258 1.00 1.00 ATOM 526 CA PHE 238 -32.417 108.416 -37.371 1.00 1.00 ATOM 527 CA ILE 239 -30.632 107.211 -34.227 1.00 1.00 ATOM 528 CA SER 240 -28.680 110.441 -33.910 1.00 1.00 ATOM 529 CA HIS 241 -27.398 111.174 -37.417 1.00 1.00 ATOM 530 CA PRO 242 -28.005 107.923 -39.385 1.00 1.00 ATOM 531 CA ALA 243 -25.260 108.089 -41.950 1.00 1.00 ATOM 532 CA GLU 244 -26.430 111.545 -42.960 1.00 1.00 ATOM 533 CA PHE 245 -30.042 110.388 -42.839 1.00 1.00 ATOM 534 CA CYS 246 -29.130 107.543 -45.145 1.00 1.00 ATOM 535 CA HIS 247 -27.033 109.569 -47.590 1.00 1.00 ATOM 536 CA LEU 248 -30.003 111.887 -48.017 1.00 1.00 ATOM 537 CA LEU 249 -32.791 109.351 -48.180 1.00 1.00 ATOM 538 CA VAL 250 -30.937 107.331 -50.761 1.00 1.00 ATOM 539 CA ALA 251 -29.891 110.246 -52.987 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 08:47:19 2002 Date: Wed, 14 Aug 2002 08:47:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0171 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 08:19:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_333168_23350 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171TS007_3 Current information on models submitted in prediction T0171TS007 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 casp5@bialko.llnl.gov T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1CQZ_B # Loading PARENT structure: 1cqz (chain: B) # Number of residues in PARENT structure: 541 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue W 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue A 72 # IMPORTANT NOTE! Not complete main chain atoms for residue P 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue P 109 # IMPORTANT NOTE! Not complete main chain atoms for residue C 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue W 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue F 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue R 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 156 # IMPORTANT NOTE! Not complete main chain atoms for residue D 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue L 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue P 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue I 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue F 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue G 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue V 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue M 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue W 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue P 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue H 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue F 245 # IMPORTANT NOTE! Not complete main chain atoms for residue C 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0171 # Total number of residues in target: 256 # Total number of residues in model: 247 # Total number of atoms in model: 247 # Number of atoms with 1.0 occupancy: 247 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 247 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0171 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1CQZ_B ATOM 247 CA ASN 3 -37.079 -78.799 -38.584 1.00 1.00 ATOM 248 CA ILE 4 -39.070 -78.757 -41.832 1.00 1.00 ATOM 249 CA TRP 5 -42.585 -80.145 -42.180 1.00 1.00 ATOM 250 CA TRP 6 -44.082 -81.462 -45.422 1.00 1.00 ATOM 251 CA GLN 7 -46.805 -83.569 -46.994 1.00 1.00 ATOM 252 CA THR 8 -46.251 -86.744 -49.062 1.00 1.00 ATOM 253 CA LYS 9 -48.185 -88.501 -51.766 1.00 1.00 ATOM 254 CA GLY 10 -47.481 -91.025 -54.490 1.00 1.00 ATOM 255 CA GLN 11 -44.530 -93.266 -55.314 1.00 1.00 ATOM 256 CA GLY 12 -41.026 -92.482 -56.708 1.00 1.00 ATOM 257 CA VAL 14 -39.116 -90.580 -58.166 1.00 1.00 ATOM 258 CA HIS 15 -39.032 -87.580 -55.781 1.00 1.00 ATOM 259 CA LEU 16 -40.315 -84.132 -56.628 1.00 1.00 ATOM 260 CA VAL 17 -40.341 -81.265 -54.096 1.00 1.00 ATOM 261 CA LEU 18 -43.009 -78.549 -54.456 1.00 1.00 ATOM 262 CA LEU 19 -41.801 -75.336 -52.702 1.00 1.00 ATOM 263 CA HIS 20 -44.365 -72.513 -52.102 1.00 1.00 ATOM 264 CA GLY 21 -44.044 -68.742 -51.886 1.00 1.00 ATOM 265 CA TRP 22 -44.901 -65.757 -49.700 1.00 1.00 ATOM 266 CA GLY 23 -47.311 -65.646 -48.003 1.00 1.00 ATOM 267 CA LEU 24 -48.496 -69.237 -48.527 1.00 1.00 ATOM 268 CA ASN 25 -48.108 -72.914 -47.541 1.00 1.00 ATOM 269 CA ALA 26 -47.860 -76.461 -48.765 1.00 1.00 ATOM 270 CA GLU 27 -51.638 -76.330 -48.962 1.00 1.00 ATOM 271 CA VAL 28 -51.175 -74.005 -51.953 1.00 1.00 ATOM 272 CA TRP 29 -50.172 -76.927 -54.162 1.00 1.00 ATOM 273 CA ARG 30 -53.372 -78.673 -53.180 1.00 1.00 ATOM 274 CA CYS 31 -54.416 -79.091 -56.761 1.00 1.00 ATOM 275 CA ILE 32 -51.140 -80.335 -58.097 1.00 1.00 ATOM 276 CA ASP 33 -50.287 -82.843 -55.313 1.00 1.00 ATOM 277 CA GLU 34 -52.903 -85.477 -56.247 1.00 1.00 ATOM 278 CA GLU 35 -52.649 -85.098 -60.035 1.00 1.00 ATOM 279 CA LEU 36 -48.874 -85.180 -59.765 1.00 1.00 ATOM 280 CA SER 37 -48.832 -88.324 -57.630 1.00 1.00 ATOM 281 CA SER 38 -51.249 -90.028 -59.959 1.00 1.00 ATOM 283 CA HIS 39 -46.350 -91.298 -61.396 1.00 1.00 ATOM 284 CA PHE 40 -44.336 -89.221 -58.907 1.00 1.00 ATOM 285 CA THR 41 -43.511 -89.162 -55.168 1.00 1.00 ATOM 286 CA LEU 42 -44.668 -85.657 -54.178 1.00 1.00 ATOM 287 CA HIS 43 -43.101 -83.727 -51.280 1.00 1.00 ATOM 288 CA LEU 44 -45.081 -80.470 -50.929 1.00 1.00 ATOM 289 CA VAL 45 -42.903 -78.770 -48.225 1.00 1.00 ATOM 290 CA ASP 46 -43.731 -75.879 -45.744 1.00 1.00 ATOM 291 CA LEU 47 -40.829 -73.490 -46.279 1.00 1.00 ATOM 292 CA PRO 48 -38.695 -72.294 -43.401 1.00 1.00 ATOM 293 CA GLY 49 -40.661 -69.827 -41.281 1.00 1.00 ATOM 294 CA PHE 50 -44.049 -71.190 -42.449 1.00 1.00 ATOM 295 CA GLY 51 -46.926 -73.270 -41.111 1.00 1.00 ATOM 296 CA ARG 52 -45.689 -76.426 -39.360 1.00 1.00 ATOM 297 CA SER 53 -41.871 -76.010 -39.869 1.00 1.00 ATOM 298 CA ARG 54 -39.468 -74.056 -37.633 1.00 1.00 ATOM 299 CA GLY 55 -40.023 -70.296 -37.943 1.00 1.00 ATOM 300 CA PHE 56 -37.014 -68.766 -36.080 1.00 1.00 ATOM 308 CA ALA 58 -30.982 -67.802 -49.416 1.00 1.00 ATOM 309 CA LEU 59 -27.511 -69.431 -49.162 1.00 1.00 ATOM 310 CA SER 60 -28.472 -70.963 -45.824 1.00 1.00 ATOM 311 CA LEU 61 -31.974 -71.785 -47.099 1.00 1.00 ATOM 312 CA ALA 62 -30.542 -73.718 -50.033 1.00 1.00 ATOM 313 CA ASP 63 -28.047 -75.584 -47.924 1.00 1.00 ATOM 314 CA MET 64 -30.930 -76.711 -45.731 1.00 1.00 ATOM 315 CA ALA 65 -32.785 -78.127 -48.712 1.00 1.00 ATOM 316 CA GLU 66 -29.844 -80.371 -49.402 1.00 1.00 ATOM 317 CA ALA 67 -29.796 -81.499 -45.793 1.00 1.00 ATOM 318 CA VAL 68 -33.554 -82.189 -46.011 1.00 1.00 ATOM 319 CA LEU 69 -32.714 -84.691 -48.755 1.00 1.00 ATOM 320 CA GLN 70 -29.695 -86.267 -47.020 1.00 1.00 ATOM 321 CA GLN 71 -31.707 -86.958 -43.819 1.00 1.00 ATOM 322 CA ALA 72 -34.591 -88.249 -45.931 1.00 1.00 ATOM 323 CA PRO 73 -32.261 -90.504 -47.841 1.00 1.00 ATOM 325 CA ASP 74 -30.229 -88.162 -53.438 1.00 1.00 ATOM 326 CA LYS 75 -31.971 -86.220 -56.200 1.00 1.00 ATOM 327 CA ALA 76 -35.347 -84.566 -56.665 1.00 1.00 ATOM 328 CA ILE 77 -36.932 -82.235 -59.158 1.00 1.00 ATOM 329 CA TRP 78 -37.497 -78.917 -57.507 1.00 1.00 ATOM 330 CA LEU 79 -40.293 -76.802 -58.628 1.00 1.00 ATOM 331 CA GLY 80 -40.812 -73.428 -56.959 1.00 1.00 ATOM 332 CA TRP 81 -43.069 -70.423 -57.214 1.00 1.00 ATOM 333 CA SER 82 -42.682 -66.792 -56.022 1.00 1.00 ATOM 334 CA LEU 83 -39.817 -66.769 -53.536 1.00 1.00 ATOM 335 CA GLY 84 -39.249 -70.548 -53.669 1.00 1.00 ATOM 336 CA GLY 85 -38.875 -70.044 -57.429 1.00 1.00 ATOM 337 CA LEU 86 -35.729 -67.993 -56.640 1.00 1.00 ATOM 338 CA VAL 87 -34.368 -70.641 -54.275 1.00 1.00 ATOM 339 CA ALA 88 -35.114 -73.375 -56.758 1.00 1.00 ATOM 340 CA SER 89 -33.084 -71.534 -59.452 1.00 1.00 ATOM 341 CA GLN 90 -30.259 -71.226 -56.945 1.00 1.00 ATOM 342 CA ILE 91 -30.438 -74.917 -56.092 1.00 1.00 ATOM 343 CA ALA 92 -29.965 -75.619 -59.804 1.00 1.00 ATOM 344 CA LEU 93 -27.078 -73.213 -59.812 1.00 1.00 ATOM 345 CA THR 94 -25.392 -74.288 -56.613 1.00 1.00 ATOM 346 CA HIS 95 -26.282 -77.965 -56.100 1.00 1.00 ATOM 347 CA PRO 96 -26.730 -79.446 -59.601 1.00 1.00 ATOM 348 CA GLU 97 -25.961 -83.038 -58.391 1.00 1.00 ATOM 349 CA ARG 98 -29.166 -83.044 -56.345 1.00 1.00 ATOM 350 CA VAL 99 -31.378 -81.572 -58.999 1.00 1.00 ATOM 351 CA GLN 100 -33.112 -83.958 -61.364 1.00 1.00 ATOM 352 CA ALA 101 -34.844 -80.851 -62.726 1.00 1.00 ATOM 353 CA LEU 102 -36.157 -77.341 -61.970 1.00 1.00 ATOM 354 CA VAL 103 -39.356 -75.593 -62.843 1.00 1.00 ATOM 355 CA THR 104 -40.420 -72.103 -61.929 1.00 1.00 ATOM 356 CA VAL 105 -43.820 -70.521 -61.940 1.00 1.00 ATOM 357 CA ALA 106 -43.866 -66.753 -62.631 1.00 1.00 ATOM 358 CA SER 107 -40.422 -66.242 -61.058 1.00 1.00 ATOM 359 CA SER 108 -37.620 -65.687 -63.584 1.00 1.00 ATOM 360 CA PRO 109 -34.032 -66.465 -62.943 1.00 1.00 ATOM 361 CA CYS 110 -32.716 -62.958 -62.305 1.00 1.00 ATOM 362 CA PHE 111 -28.998 -63.083 -61.376 1.00 1.00 ATOM 363 CA SER 112 -27.361 -59.938 -59.902 1.00 1.00 ATOM 364 CA ALA 113 -24.767 -57.499 -61.357 1.00 1.00 ATOM 365 CA ARG 114 -21.612 -57.090 -59.369 1.00 1.00 ATOM 366 CA ASP 115 -21.514 -53.380 -60.213 1.00 1.00 ATOM 367 CA GLU 116 -25.051 -52.511 -59.130 1.00 1.00 ATOM 368 CA TRP 117 -25.894 -52.418 -55.398 1.00 1.00 ATOM 369 CA PRO 118 -28.917 -54.790 -54.984 1.00 1.00 ATOM 370 CA GLY 119 -30.988 -52.358 -52.959 1.00 1.00 ATOM 371 CA ILE 120 -30.594 -49.812 -55.733 1.00 1.00 ATOM 372 CA LYS 121 -32.126 -52.330 -58.122 1.00 1.00 ATOM 392 CA PRO 122 -45.859 -57.884 -39.563 1.00 1.00 ATOM 393 CA ASP 123 -48.153 -55.666 -37.526 1.00 1.00 ATOM 394 CA VAL 124 -50.307 -54.738 -40.564 1.00 1.00 ATOM 395 CA LEU 125 -50.662 -58.255 -42.020 1.00 1.00 ATOM 396 CA ALA 126 -51.348 -59.805 -38.600 1.00 1.00 ATOM 397 CA GLY 127 -53.950 -57.218 -37.359 1.00 1.00 ATOM 398 CA PHE 128 -56.673 -59.181 -39.064 1.00 1.00 ATOM 399 CA GLN 129 -55.549 -62.255 -40.967 1.00 1.00 ATOM 400 CA GLN 130 -58.870 -62.772 -42.679 1.00 1.00 ATOM 401 CA GLN 131 -58.611 -59.493 -44.726 1.00 1.00 ATOM 402 CA LEU 132 -54.927 -60.118 -45.212 1.00 1.00 ATOM 403 CA SER 133 -55.659 -63.341 -47.053 1.00 1.00 ATOM 404 CA ASP 134 -58.765 -62.388 -48.986 1.00 1.00 ATOM 405 CA ASP 135 -56.783 -59.269 -49.983 1.00 1.00 ATOM 406 CA PHE 136 -53.796 -61.193 -51.210 1.00 1.00 ATOM 407 CA GLN 137 -55.572 -64.073 -52.997 1.00 1.00 ATOM 408 CA ARG 138 -57.729 -62.802 -55.792 1.00 1.00 ATOM 409 CA THR 139 -57.898 -63.595 -59.528 1.00 1.00 ATOM 410 CA VAL 140 -56.149 -61.714 -62.340 1.00 1.00 ATOM 411 CA GLU 141 -59.644 -60.496 -63.257 1.00 1.00 ATOM 412 CA ARG 142 -60.766 -59.208 -59.840 1.00 1.00 ATOM 413 CA PHE 143 -60.756 -55.990 -57.774 1.00 1.00 ATOM 414 CA LEU 144 -59.605 -55.361 -54.148 1.00 1.00 ATOM 415 CA ALA 145 -55.951 -55.804 -55.159 1.00 1.00 ATOM 416 CA LEU 146 -52.766 -55.249 -53.148 1.00 1.00 ATOM 417 CA GLN 147 -50.673 -52.018 -53.093 1.00 1.00 ATOM 418 CA THR 148 -47.369 -53.127 -54.582 1.00 1.00 ATOM 419 CA MET 149 -46.531 -49.719 -56.053 1.00 1.00 ATOM 420 CA GLY 150 -47.407 -47.166 -53.296 1.00 1.00 ATOM 421 CA THR 151 -47.168 -49.094 -49.998 1.00 1.00 ATOM 439 CA GLU 152 -63.812 -66.608 -56.393 1.00 1.00 ATOM 440 CA THR 153 -60.475 -68.403 -56.301 1.00 1.00 ATOM 441 CA ALA 154 -60.650 -69.657 -52.709 1.00 1.00 ATOM 442 CA ARG 155 -63.277 -70.701 -50.113 1.00 1.00 ATOM 443 CA GLN 156 -63.791 -69.631 -46.527 1.00 1.00 ATOM 444 CA ASP 157 -62.554 -73.099 -45.716 1.00 1.00 ATOM 445 CA ALA 158 -59.353 -72.621 -47.663 1.00 1.00 ATOM 446 CA ARG 159 -58.906 -69.132 -46.197 1.00 1.00 ATOM 447 CA ALA 160 -59.329 -70.539 -42.645 1.00 1.00 ATOM 448 CA LEU 161 -56.546 -73.049 -43.166 1.00 1.00 ATOM 449 CA LYS 162 -54.120 -70.241 -43.983 1.00 1.00 ATOM 450 CA LYS 163 -55.348 -68.249 -40.972 1.00 1.00 ATOM 451 CA THR 164 -54.661 -71.160 -38.644 1.00 1.00 ATOM 452 CA VAL 165 -51.302 -71.874 -40.211 1.00 1.00 ATOM 453 CA LEU 166 -50.169 -68.305 -39.615 1.00 1.00 ATOM 454 CA ALA 167 -51.479 -68.053 -36.089 1.00 1.00 ATOM 455 CA LEU 168 -48.598 -70.496 -35.415 1.00 1.00 ATOM 456 CA PRO 169 -45.904 -68.567 -37.285 1.00 1.00 ATOM 457 CA MET 170 -47.013 -64.969 -37.258 1.00 1.00 ATOM 458 CA PRO 171 -45.397 -63.206 -40.220 1.00 1.00 ATOM 460 CA GLU 172 -40.424 -65.631 -40.415 1.00 1.00 ATOM 461 CA VAL 173 -42.002 -65.386 -43.877 1.00 1.00 ATOM 462 CA ASP 174 -41.074 -61.711 -44.320 1.00 1.00 ATOM 463 CA VAL 175 -37.461 -62.335 -43.269 1.00 1.00 ATOM 464 CA LEU 176 -37.188 -63.700 -46.839 1.00 1.00 ATOM 465 CA ASN 177 -37.308 -60.179 -48.277 1.00 1.00 ATOM 466 CA GLY 178 -34.779 -58.986 -45.710 1.00 1.00 ATOM 467 CA GLY 179 -31.545 -60.603 -46.942 1.00 1.00 ATOM 468 CA LEU 180 -30.975 -58.530 -50.049 1.00 1.00 ATOM 469 CA GLU 181 -27.355 -57.681 -49.363 1.00 1.00 ATOM 470 CA ILE 182 -25.851 -61.000 -48.477 1.00 1.00 ATOM 471 CA LEU 183 -28.142 -62.759 -50.970 1.00 1.00 ATOM 472 CA LYS 184 -26.648 -60.480 -53.620 1.00 1.00 ATOM 473 CA THR 185 -23.114 -61.127 -52.304 1.00 1.00 ATOM 474 CA VAL 186 -23.744 -64.892 -52.321 1.00 1.00 ATOM 475 CA ASP 187 -25.290 -65.300 -55.806 1.00 1.00 ATOM 476 CA LEU 188 -22.460 -63.295 -57.327 1.00 1.00 ATOM 477 CA ARG 189 -20.335 -66.406 -56.599 1.00 1.00 ATOM 478 CA GLN 190 -21.835 -68.210 -59.587 1.00 1.00 ATOM 479 CA PRO 191 -22.024 -65.512 -62.201 1.00 1.00 ATOM 480 CA LEU 192 -19.581 -67.422 -64.388 1.00 1.00 ATOM 481 CA GLN 193 -21.768 -70.544 -64.531 1.00 1.00 ATOM 482 CA ASN 194 -24.705 -71.687 -66.532 1.00 1.00 ATOM 483 CA VAL 195 -27.649 -73.835 -65.573 1.00 1.00 ATOM 484 CA SER 196 -27.168 -77.019 -67.544 1.00 1.00 ATOM 485 CA MET 197 -29.649 -79.329 -65.776 1.00 1.00 ATOM 486 CA PRO 198 -33.209 -79.596 -67.233 1.00 1.00 ATOM 487 CA PHE 199 -35.257 -76.395 -66.721 1.00 1.00 ATOM 488 CA LEU 200 -38.766 -75.064 -67.312 1.00 1.00 ATOM 489 CA ARG 201 -40.184 -71.575 -67.099 1.00 1.00 ATOM 490 CA LEU 202 -43.863 -71.044 -66.900 1.00 1.00 ATOM 491 CA TYR 203 -45.028 -67.441 -67.115 1.00 1.00 ATOM 492 CA GLY 204 -48.350 -66.003 -65.915 1.00 1.00 ATOM 493 CA TYR 205 -49.696 -63.358 -68.310 1.00 1.00 ATOM 494 CA LEU 206 -51.536 -60.851 -66.092 1.00 1.00 ATOM 495 CA ASP 207 -49.086 -61.153 -63.171 1.00 1.00 ATOM 496 CA GLY 208 -48.614 -57.605 -61.995 1.00 1.00 ATOM 497 CA LEU 209 -45.217 -58.054 -60.278 1.00 1.00 ATOM 498 CA VAL 210 -43.111 -60.829 -61.844 1.00 1.00 ATOM 499 CA PRO 211 -44.337 -60.053 -65.337 1.00 1.00 ATOM 500 CA ARG 212 -43.498 -62.488 -68.203 1.00 1.00 ATOM 501 CA LYS 213 -41.313 -59.856 -69.891 1.00 1.00 ATOM 502 CA VAL 214 -38.853 -60.200 -66.953 1.00 1.00 ATOM 503 CA VAL 215 -37.745 -63.577 -68.339 1.00 1.00 ATOM 504 CA PRO 216 -36.797 -62.702 -71.951 1.00 1.00 ATOM 505 CA MET 217 -33.060 -62.697 -71.191 1.00 1.00 ATOM 506 CA LEU 218 -33.069 -65.978 -69.135 1.00 1.00 ATOM 507 CA ASP 219 -31.591 -68.237 -71.806 1.00 1.00 ATOM 508 CA LYS 220 -28.258 -66.379 -71.645 1.00 1.00 ATOM 509 CA LEU 221 -27.783 -68.434 -68.484 1.00 1.00 ATOM 510 CA TRP 222 -30.050 -71.314 -69.225 1.00 1.00 ATOM 511 CA PRO 223 -29.802 -72.460 -72.829 1.00 1.00 ATOM 512 CA HIS 224 -32.180 -75.335 -73.591 1.00 1.00 ATOM 513 CA SER 225 -34.572 -73.737 -71.098 1.00 1.00 ATOM 514 CA GLU 226 -38.001 -75.085 -72.025 1.00 1.00 ATOM 515 CA SER 227 -41.004 -72.841 -71.647 1.00 1.00 ATOM 516 CA TYR 228 -44.684 -72.639 -70.891 1.00 1.00 ATOM 517 CA ILE 229 -47.137 -69.786 -70.589 1.00 1.00 ATOM 518 CA PHE 230 -50.621 -69.275 -69.110 1.00 1.00 ATOM 519 CA ALA 231 -53.050 -66.507 -70.240 1.00 1.00 ATOM 520 CA LYS 232 -55.591 -64.573 -68.150 1.00 1.00 ATOM 521 CA ALA 233 -53.559 -65.633 -65.128 1.00 1.00 ATOM 522 CA ALA 234 -52.350 -63.654 -62.131 1.00 1.00 ATOM 523 CA HIS 235 -49.776 -64.419 -59.468 1.00 1.00 ATOM 524 CA ALA 236 -51.578 -67.355 -57.870 1.00 1.00 ATOM 525 CA PRO 237 -51.017 -69.667 -60.813 1.00 1.00 ATOM 526 CA PHE 238 -51.569 -72.939 -59.002 1.00 1.00 ATOM 527 CA ILE 239 -54.819 -71.768 -57.428 1.00 1.00 ATOM 528 CA SER 240 -56.061 -69.780 -60.449 1.00 1.00 ATOM 529 CA HIS 241 -55.256 -72.011 -63.429 1.00 1.00 ATOM 530 CA PRO 242 -54.640 -75.404 -61.716 1.00 1.00 ATOM 531 CA ALA 243 -55.717 -77.724 -64.462 1.00 1.00 ATOM 532 CA GLU 244 -53.668 -75.794 -67.001 1.00 1.00 ATOM 533 CA PHE 245 -50.674 -75.764 -64.624 1.00 1.00 ATOM 534 CA CYS 246 -51.103 -79.479 -64.090 1.00 1.00 ATOM 535 CA HIS 247 -51.264 -80.227 -67.808 1.00 1.00 ATOM 536 CA LEU 248 -48.086 -78.283 -68.457 1.00 1.00 ATOM 537 CA LEU 249 -46.200 -79.675 -65.511 1.00 1.00 ATOM 538 CA VAL 250 -46.940 -83.283 -66.318 1.00 1.00 ATOM 539 CA ALA 251 -46.001 -83.039 -70.029 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 08:48:08 2002 Date: Wed, 14 Aug 2002 08:48:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0171 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 08:20:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_340703_23352 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171TS007_2 Current information on models submitted in prediction T0171TS007 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 casp5@bialko.llnl.gov T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1A88_C # Loading PARENT structure: 1a88 (chain: C) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue W 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue A 72 # IMPORTANT NOTE! Not complete main chain atoms for residue P 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue P 109 # IMPORTANT NOTE! Not complete main chain atoms for residue C 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue W 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue F 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue R 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 156 # IMPORTANT NOTE! Not complete main chain atoms for residue D 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue L 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue I 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue F 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue G 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue V 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue M 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue W 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue P 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue H 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue F 245 # IMPORTANT NOTE! Not complete main chain atoms for residue C 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0171 # Total number of residues in target: 256 # Total number of residues in model: 246 # Total number of atoms in model: 246 # Number of atoms with 1.0 occupancy: 246 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 246 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0171 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1A88_C ATOM 10 CA ASN 3 36.753 48.773 -11.574 1.00 1.00 ATOM 11 CA ILE 4 37.274 49.639 -15.270 1.00 1.00 ATOM 12 CA TRP 5 34.509 48.856 -17.769 1.00 1.00 ATOM 13 CA TRP 6 35.528 47.725 -21.273 1.00 1.00 ATOM 14 CA GLN 7 33.970 46.332 -24.458 1.00 1.00 ATOM 15 CA THR 8 35.604 43.469 -26.426 1.00 1.00 ATOM 16 CA LYS 9 33.876 42.564 -29.681 1.00 1.00 ATOM 17 CA GLY 10 34.821 40.505 -32.762 1.00 1.00 ATOM 18 CA GLN 11 36.711 37.320 -33.507 1.00 1.00 ATOM 19 CA GLY 12 38.874 35.962 -30.745 1.00 1.00 ATOM 20 CA ASN 13 41.738 35.405 -33.198 1.00 1.00 ATOM 22 CA VAL 14 44.245 41.274 -34.524 1.00 1.00 ATOM 23 CA HIS 15 43.308 43.489 -31.506 1.00 1.00 ATOM 24 CA LEU 16 42.612 47.173 -32.218 1.00 1.00 ATOM 25 CA VAL 17 42.329 49.014 -28.864 1.00 1.00 ATOM 26 CA LEU 18 40.741 52.475 -28.694 1.00 1.00 ATOM 27 CA LEU 19 41.440 55.130 -26.075 1.00 1.00 ATOM 28 CA HIS 20 38.838 57.891 -25.881 1.00 1.00 ATOM 29 CA GLY 21 39.456 61.541 -25.215 1.00 1.00 ATOM 30 CA TRP 22 38.372 63.889 -22.439 1.00 1.00 ATOM 31 CA GLY 23 35.804 63.906 -20.944 1.00 1.00 ATOM 32 CA LEU 24 34.193 61.020 -22.818 1.00 1.00 ATOM 33 CA ASN 25 33.815 57.241 -22.790 1.00 1.00 ATOM 34 CA ALA 26 34.339 54.043 -24.829 1.00 1.00 ATOM 35 CA GLU 27 31.050 54.918 -26.578 1.00 1.00 ATOM 36 CA VAL 28 32.766 57.777 -28.447 1.00 1.00 ATOM 37 CA TRP 29 34.207 55.083 -30.797 1.00 1.00 ATOM 38 CA ARG 30 30.947 53.474 -32.027 1.00 1.00 ATOM 39 CA CYS 31 31.613 54.391 -35.707 1.00 1.00 ATOM 40 CA ILE 32 35.241 53.150 -35.747 1.00 1.00 ATOM 41 CA ASP 33 34.377 50.010 -33.771 1.00 1.00 ATOM 42 CA GLU 34 31.670 48.926 -36.245 1.00 1.00 ATOM 43 CA GLU 35 33.973 49.865 -39.152 1.00 1.00 ATOM 44 CA LEU 36 36.894 47.713 -37.959 1.00 1.00 ATOM 45 CA SER 37 34.575 44.892 -36.914 1.00 1.00 ATOM 46 CA SER 38 33.227 44.834 -40.459 1.00 1.00 ATOM 48 CA HIS 39 37.328 41.198 -39.351 1.00 1.00 ATOM 49 CA PHE 40 39.281 42.838 -36.495 1.00 1.00 ATOM 50 CA THR 41 38.756 42.314 -32.777 1.00 1.00 ATOM 51 CA LEU 42 37.939 45.742 -31.280 1.00 1.00 ATOM 52 CA HIS 43 38.426 46.735 -27.630 1.00 1.00 ATOM 53 CA LEU 44 37.682 49.993 -25.857 1.00 1.00 ATOM 54 CA VAL 45 37.628 50.860 -22.143 1.00 1.00 ATOM 55 CA ASP 46 36.152 53.665 -20.042 1.00 1.00 ATOM 56 CA LEU 47 39.041 55.581 -18.367 1.00 1.00 ATOM 57 CA PRO 48 38.689 55.595 -14.534 1.00 1.00 ATOM 58 CA GLY 49 36.234 58.261 -13.460 1.00 1.00 ATOM 59 CA PHE 50 34.587 58.159 -16.932 1.00 1.00 ATOM 60 CA GLY 51 31.559 56.454 -18.386 1.00 1.00 ATOM 61 CA ARG 52 30.665 53.184 -16.626 1.00 1.00 ATOM 62 CA SER 53 34.000 52.875 -14.726 1.00 1.00 ATOM 63 CA ARG 54 34.236 53.531 -10.970 1.00 1.00 ATOM 64 CA GLY 55 34.765 57.084 -9.756 1.00 1.00 ATOM 65 CA PHE 56 37.733 56.802 -7.352 1.00 1.00 ATOM 71 CA ALA 58 48.840 59.760 -16.940 1.00 1.00 ATOM 72 CA LEU 59 51.005 57.295 -15.015 1.00 1.00 ATOM 73 CA SER 60 47.944 55.749 -13.477 1.00 1.00 ATOM 74 CA LEU 61 45.948 55.827 -16.746 1.00 1.00 ATOM 75 CA ALA 62 48.801 53.887 -18.489 1.00 1.00 ATOM 76 CA ASP 63 48.972 51.365 -15.568 1.00 1.00 ATOM 77 CA MET 64 45.197 50.850 -15.797 1.00 1.00 ATOM 78 CA ALA 65 45.657 50.063 -19.540 1.00 1.00 ATOM 79 CA GLU 66 48.506 47.662 -18.666 1.00 1.00 ATOM 80 CA ALA 67 46.170 45.918 -16.208 1.00 1.00 ATOM 81 CA VAL 68 43.561 45.443 -18.937 1.00 1.00 ATOM 82 CA LEU 69 45.948 44.228 -21.670 1.00 1.00 ATOM 83 CA GLN 70 47.478 41.778 -19.222 1.00 1.00 ATOM 84 CA GLN 71 44.047 40.432 -18.265 1.00 1.00 ATOM 85 CA ALA 72 43.064 39.952 -21.918 1.00 1.00 ATOM 86 CA PRO 73 46.595 38.766 -22.770 1.00 1.00 ATOM 88 CA ASP 74 49.716 40.369 -28.228 1.00 1.00 ATOM 89 CA LYS 75 50.638 42.567 -31.179 1.00 1.00 ATOM 90 CA ALA 76 47.831 45.075 -30.635 1.00 1.00 ATOM 91 CA ILE 77 47.270 48.353 -32.448 1.00 1.00 ATOM 92 CA TRP 78 46.534 51.202 -29.985 1.00 1.00 ATOM 93 CA LEU 79 44.476 54.142 -31.302 1.00 1.00 ATOM 94 CA GLY 80 44.187 57.233 -29.029 1.00 1.00 ATOM 95 CA TRP 81 42.183 60.416 -29.519 1.00 1.00 ATOM 96 CA SER 82 43.110 63.671 -27.720 1.00 1.00 ATOM 97 CA LEU 83 43.864 62.932 -24.056 1.00 1.00 ATOM 98 CA GLY 84 43.672 59.253 -25.073 1.00 1.00 ATOM 99 CA GLY 85 46.686 59.867 -27.391 1.00 1.00 ATOM 100 CA LEU 86 48.793 60.915 -24.362 1.00 1.00 ATOM 101 CA VAL 87 47.672 57.767 -22.506 1.00 1.00 ATOM 102 CA ALA 88 48.627 55.624 -25.562 1.00 1.00 ATOM 103 CA SER 89 52.084 57.279 -25.748 1.00 1.00 ATOM 104 CA GLN 90 52.727 56.542 -22.053 1.00 1.00 ATOM 105 CA ILE 91 51.420 53.007 -22.240 1.00 1.00 ATOM 106 CA ALA 92 53.282 52.075 -25.432 1.00 1.00 ATOM 107 CA LEU 93 56.611 53.481 -24.119 1.00 1.00 ATOM 108 CA THR 94 56.414 51.177 -21.105 1.00 1.00 ATOM 109 CA HIS 95 54.617 48.138 -22.561 1.00 1.00 ATOM 111 CA PRO 96 57.560 42.867 -25.027 1.00 1.00 ATOM 112 CA GLU 97 55.126 41.605 -27.630 1.00 1.00 ATOM 113 CA ARG 98 52.100 43.596 -26.428 1.00 1.00 ATOM 114 CA VAL 99 52.130 46.392 -29.035 1.00 1.00 ATOM 115 CA GLN 100 52.542 46.264 -32.842 1.00 1.00 ATOM 116 CA ALA 101 51.628 49.857 -33.819 1.00 1.00 ATOM 117 CA LEU 102 50.038 53.024 -32.460 1.00 1.00 ATOM 118 CA VAL 103 47.932 55.903 -33.822 1.00 1.00 ATOM 119 CA THR 104 47.763 59.371 -32.200 1.00 1.00 ATOM 120 CA VAL 105 44.673 61.224 -33.438 1.00 1.00 ATOM 121 CA ALA 106 44.364 64.928 -32.570 1.00 1.00 ATOM 122 CA SER 107 46.571 64.053 -29.589 1.00 1.00 ATOM 123 CA SER 108 48.061 66.123 -26.777 1.00 1.00 ATOM 124 CA PRO 109 51.776 65.192 -27.048 1.00 1.00 ATOM 125 CA CYS 110 54.272 66.407 -26.819 1.00 1.00 ATOM 127 CA PHE 111 50.311 71.626 -24.547 1.00 1.00 ATOM 128 CA SER 112 50.971 74.228 -21.863 1.00 1.00 ATOM 129 CA ALA 113 53.070 77.286 -22.689 1.00 1.00 ATOM 130 CA ARG 114 56.518 77.559 -21.151 1.00 1.00 ATOM 131 CA ASP 115 60.194 78.370 -21.695 1.00 1.00 ATOM 132 CA GLU 116 60.558 74.873 -23.127 1.00 1.00 ATOM 133 CA TRP 117 57.359 75.225 -25.217 1.00 1.00 ATOM 134 CA PRO 118 56.937 78.831 -26.322 1.00 1.00 ATOM 135 CA GLY 119 54.102 78.002 -28.709 1.00 1.00 ATOM 136 CA ILE 120 51.934 76.326 -26.086 1.00 1.00 ATOM 137 CA LYS 121 48.614 77.634 -24.740 1.00 1.00 ATOM 138 CA PRO 122 48.799 79.764 -21.591 1.00 1.00 ATOM 140 CA ASP 123 44.871 80.732 -18.217 1.00 1.00 ATOM 141 CA VAL 124 43.046 78.723 -20.929 1.00 1.00 ATOM 142 CA LEU 125 42.936 75.637 -18.684 1.00 1.00 ATOM 143 CA ALA 126 42.087 77.701 -15.607 1.00 1.00 ATOM 144 CA GLY 127 38.945 78.905 -17.421 1.00 1.00 ATOM 145 CA PHE 128 38.035 75.285 -18.235 1.00 1.00 ATOM 146 CA GLN 129 38.531 74.323 -14.577 1.00 1.00 ATOM 147 CA GLN 130 36.373 77.225 -13.405 1.00 1.00 ATOM 148 CA GLN 131 33.544 76.653 -15.885 1.00 1.00 ATOM 149 CA LEU 132 33.482 72.917 -15.136 1.00 1.00 ATOM 150 CA SER 133 33.302 73.428 -11.368 1.00 1.00 ATOM 151 CA ASP 134 30.581 76.092 -11.560 1.00 1.00 ATOM 152 CA ASP 135 28.093 74.320 -13.780 1.00 1.00 ATOM 153 CA PHE 136 29.350 71.130 -15.418 1.00 1.00 ATOM 154 CA GLN 137 26.011 70.422 -17.114 1.00 1.00 ATOM 155 CA ARG 138 26.073 73.763 -18.986 1.00 1.00 ATOM 156 CA THR 139 29.848 73.664 -19.828 1.00 1.00 ATOM 157 CA VAL 140 29.287 70.192 -21.380 1.00 1.00 ATOM 158 CA GLU 141 26.749 71.707 -23.803 1.00 1.00 ATOM 159 CA ARG 142 29.022 74.689 -24.636 1.00 1.00 ATOM 160 CA PHE 143 32.144 72.683 -25.502 1.00 1.00 ATOM 161 CA LEU 144 30.598 70.320 -28.113 1.00 1.00 ATOM 162 CA ALA 145 28.376 73.197 -29.331 1.00 1.00 ATOM 163 CA LEU 146 31.364 75.449 -30.087 1.00 1.00 ATOM 164 CA GLN 147 34.932 74.305 -30.439 1.00 1.00 ATOM 165 CA THR 148 34.942 70.526 -30.264 1.00 1.00 ATOM 166 CA MET 149 33.346 69.631 -33.592 1.00 1.00 ATOM 167 CA GLY 150 33.872 72.961 -35.365 1.00 1.00 ATOM 168 CA THR 151 30.133 73.657 -35.344 1.00 1.00 ATOM 169 CA GLU 152 30.908 77.317 -34.643 1.00 1.00 ATOM 170 CA THR 153 32.391 77.662 -38.176 1.00 1.00 ATOM 175 CA ALA 154 25.723 70.617 -37.370 1.00 1.00 ATOM 176 CA ARG 155 24.655 67.272 -35.937 1.00 1.00 ATOM 177 CA GLN 156 22.485 67.695 -32.824 1.00 1.00 ATOM 178 CA ASP 157 23.086 63.987 -32.026 1.00 1.00 ATOM 179 CA ALA 158 26.841 64.514 -31.782 1.00 1.00 ATOM 180 CA ARG 159 26.282 67.352 -29.309 1.00 1.00 ATOM 181 CA ALA 160 23.820 65.453 -27.112 1.00 1.00 ATOM 182 CA LEU 161 26.013 62.306 -27.095 1.00 1.00 ATOM 183 CA LYS 162 29.138 64.242 -26.052 1.00 1.00 ATOM 184 CA LYS 163 27.155 65.758 -23.183 1.00 1.00 ATOM 185 CA THR 164 25.700 62.404 -22.039 1.00 1.00 ATOM 186 CA VAL 165 29.073 60.690 -22.038 1.00 1.00 ATOM 187 CA LEU 166 30.531 63.679 -20.117 1.00 1.00 ATOM 188 CA ALA 167 27.725 63.764 -17.488 1.00 1.00 ATOM 189 CA LEU 168 28.024 60.030 -16.761 1.00 1.00 ATOM 190 CA PRO 169 31.695 60.478 -15.756 1.00 1.00 ATOM 191 CA GLU 172 32.938 61.980 -12.470 1.00 1.00 ATOM 192 CA VAL 173 33.242 65.667 -11.809 1.00 1.00 ATOM 193 CA ASP 174 36.493 65.246 -9.868 1.00 1.00 ATOM 194 CA VAL 175 38.150 63.060 -12.512 1.00 1.00 ATOM 195 CA LEU 176 37.102 65.413 -15.294 1.00 1.00 ATOM 196 CA ASN 177 38.410 68.407 -13.325 1.00 1.00 ATOM 197 CA GLY 178 41.775 66.815 -12.400 1.00 1.00 ATOM 198 CA GLY 179 42.257 65.352 -15.887 1.00 1.00 ATOM 199 CA LEU 180 42.595 68.880 -17.319 1.00 1.00 ATOM 200 CA GLU 181 45.972 69.314 -15.601 1.00 1.00 ATOM 201 CA ILE 182 46.910 65.758 -16.574 1.00 1.00 ATOM 202 CA LEU 183 46.384 66.261 -20.325 1.00 1.00 ATOM 203 CA LYS 184 47.612 69.848 -20.624 1.00 1.00 ATOM 204 CA THR 185 50.632 69.877 -18.286 1.00 1.00 ATOM 205 CA VAL 186 52.101 66.402 -18.771 1.00 1.00 ATOM 206 CA ASP 187 55.248 66.397 -20.882 1.00 1.00 ATOM 207 CA LEU 188 55.266 63.289 -23.081 1.00 1.00 ATOM 208 CA ARG 189 58.624 64.099 -24.743 1.00 1.00 ATOM 209 CA GLN 190 60.469 61.155 -23.195 1.00 1.00 ATOM 210 CA PRO 191 57.561 58.806 -23.882 1.00 1.00 ATOM 211 CA LEU 192 57.722 59.636 -27.589 1.00 1.00 ATOM 212 CA GLN 193 61.480 59.118 -27.717 1.00 1.00 ATOM 213 CA ASN 194 61.088 55.575 -26.360 1.00 1.00 ATOM 214 CA VAL 195 58.458 54.314 -28.825 1.00 1.00 ATOM 215 CA SER 196 59.975 52.291 -31.652 1.00 1.00 ATOM 216 CA MET 197 56.889 50.798 -33.313 1.00 1.00 ATOM 217 CA PRO 198 55.352 52.503 -36.366 1.00 1.00 ATOM 218 CA PHE 199 53.111 55.427 -35.238 1.00 1.00 ATOM 219 CA LEU 200 50.513 57.297 -37.337 1.00 1.00 ATOM 220 CA ARG 201 50.075 60.927 -36.232 1.00 1.00 ATOM 221 CA LEU 202 46.815 62.322 -37.609 1.00 1.00 ATOM 222 CA TYR 203 45.539 65.826 -36.923 1.00 1.00 ATOM 223 CA GLY 204 43.032 68.346 -38.269 1.00 1.00 ATOM 224 CA TYR 205 44.472 71.791 -39.093 1.00 1.00 ATOM 225 CA LEU 206 41.519 73.755 -37.613 1.00 1.00 ATOM 226 CA ASP 207 41.582 71.885 -34.260 1.00 1.00 ATOM 227 CA GLY 208 40.328 74.415 -31.701 1.00 1.00 ATOM 228 CA LEU 209 41.020 72.221 -28.635 1.00 1.00 ATOM 229 CA VAL 210 44.528 70.852 -29.273 1.00 1.00 ATOM 230 CA PRO 211 46.249 73.311 -31.630 1.00 1.00 ATOM 232 CA ARG 212 51.184 73.351 -34.812 1.00 1.00 ATOM 233 CA LYS 213 52.153 72.601 -31.197 1.00 1.00 ATOM 234 CA VAL 214 51.171 68.956 -31.477 1.00 1.00 ATOM 235 CA VAL 215 51.278 66.791 -34.616 1.00 1.00 ATOM 236 CA PRO 216 54.444 68.088 -36.342 1.00 1.00 ATOM 237 CA MET 217 56.364 68.093 -33.046 1.00 1.00 ATOM 238 CA LEU 218 55.226 64.603 -32.163 1.00 1.00 ATOM 239 CA ASP 219 56.168 63.394 -35.638 1.00 1.00 ATOM 240 CA LYS 220 59.723 64.834 -35.333 1.00 1.00 ATOM 241 CA LEU 221 60.260 63.135 -31.951 1.00 1.00 ATOM 242 CA TRP 222 59.077 59.692 -32.994 1.00 1.00 ATOM 243 CA PRO 223 61.536 57.250 -34.607 1.00 1.00 ATOM 244 CA HIS 224 59.063 55.752 -37.142 1.00 1.00 ATOM 245 CA SER 225 56.152 58.137 -37.623 1.00 1.00 ATOM 246 CA GLU 226 53.908 59.015 -40.537 1.00 1.00 ATOM 247 CA SER 227 52.253 62.438 -40.301 1.00 1.00 ATOM 248 CA TYR 228 48.825 63.040 -41.903 1.00 1.00 ATOM 249 CA ILE 229 47.299 66.547 -41.813 1.00 1.00 ATOM 250 CA PHE 230 43.596 67.049 -42.581 1.00 1.00 ATOM 251 CA ALA 231 43.084 70.558 -43.852 1.00 1.00 ATOM 252 CA LYS 232 40.315 72.395 -42.020 1.00 1.00 ATOM 253 CA ALA 233 39.088 69.456 -39.901 1.00 1.00 ATOM 254 CA ALA 234 38.145 69.856 -36.267 1.00 1.00 ATOM 255 CA HIS 235 39.214 68.187 -33.036 1.00 1.00 ATOM 256 CA ALA 236 36.216 65.839 -33.232 1.00 1.00 ATOM 257 CA PRO 237 36.996 64.738 -36.816 1.00 1.00 ATOM 258 CA PHE 238 36.637 60.982 -36.213 1.00 1.00 ATOM 259 CA ILE 239 32.947 61.654 -35.718 1.00 1.00 ATOM 260 CA SER 240 32.320 64.549 -38.150 1.00 1.00 ATOM 261 CA HIS 241 34.351 63.084 -41.066 1.00 1.00 ATOM 262 CA PRO 242 34.659 59.329 -40.610 1.00 1.00 ATOM 263 CA ALA 243 34.450 58.809 -44.371 1.00 1.00 ATOM 264 CA GLU 244 37.815 60.680 -44.565 1.00 1.00 ATOM 265 CA PHE 245 39.601 59.210 -41.507 1.00 1.00 ATOM 266 CA CYS 246 38.464 55.565 -41.474 1.00 1.00 ATOM 267 CA HIS 247 40.123 54.678 -44.854 1.00 1.00 ATOM 268 CA LEU 248 43.410 56.182 -43.621 1.00 1.00 ATOM 269 CA LEU 249 43.249 54.314 -40.286 1.00 1.00 ATOM 270 CA VAL 250 42.568 51.030 -42.104 1.00 1.00 ATOM 271 CA ALA 251 45.397 51.569 -44.612 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 08:50:29 2002 Date: Wed, 14 Aug 2002 08:50:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0171 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 08:22:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_364476_23358 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171TS007_5 Current information on models submitted in prediction T0171TS007 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_5 PIN_364476_23358 6269-7633-6117 08/14/02 08:22:40 casp5@bialko.llnl.gov T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 casp5@bialko.llnl.gov T0171TS007_5 PIN_364476_23358 6269-7633-6117 08/14/02 08:22:40 casp5@bialko.llnl.gov T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1EK1_B # Loading PARENT structure: 1ek1 (chain: B) # Number of residues in PARENT structure: 541 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue W 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue A 72 # IMPORTANT NOTE! Not complete main chain atoms for residue P 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue P 109 # IMPORTANT NOTE! Not complete main chain atoms for residue C 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue W 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue F 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue R 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 156 # IMPORTANT NOTE! Not complete main chain atoms for residue D 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue L 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue P 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue I 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue F 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue G 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue V 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue M 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue W 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue P 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue H 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue F 245 # IMPORTANT NOTE! Not complete main chain atoms for residue C 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0171 # Total number of residues in target: 256 # Total number of residues in model: 247 # Total number of atoms in model: 247 # Number of atoms with 1.0 occupancy: 247 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 247 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0171 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1EK1_B ATOM 247 CA ASN 3 -37.337 -78.758 -38.489 1.00 1.00 ATOM 248 CA ILE 4 -39.000 -78.880 -41.925 1.00 1.00 ATOM 249 CA TRP 5 -42.576 -80.063 -42.264 1.00 1.00 ATOM 250 CA TRP 6 -43.967 -81.292 -45.560 1.00 1.00 ATOM 251 CA GLN 7 -46.481 -83.573 -47.196 1.00 1.00 ATOM 252 CA THR 8 -46.019 -86.806 -49.189 1.00 1.00 ATOM 253 CA LYS 9 -48.107 -88.424 -51.871 1.00 1.00 ATOM 254 CA GLY 10 -47.445 -91.045 -54.514 1.00 1.00 ATOM 255 CA GLN 11 -44.441 -93.235 -55.333 1.00 1.00 ATOM 256 CA GLY 12 -40.972 -92.191 -56.661 1.00 1.00 ATOM 257 CA VAL 14 -39.114 -90.452 -58.217 1.00 1.00 ATOM 258 CA HIS 15 -39.302 -87.374 -56.023 1.00 1.00 ATOM 259 CA LEU 16 -40.210 -83.756 -56.781 1.00 1.00 ATOM 260 CA VAL 17 -40.204 -81.035 -54.162 1.00 1.00 ATOM 261 CA LEU 18 -42.952 -78.461 -54.542 1.00 1.00 ATOM 262 CA LEU 19 -41.576 -75.323 -52.938 1.00 1.00 ATOM 263 CA HIS 20 -44.265 -72.632 -52.264 1.00 1.00 ATOM 264 CA GLY 21 -43.870 -68.849 -52.138 1.00 1.00 ATOM 265 CA TRP 22 -44.842 -65.734 -50.174 1.00 1.00 ATOM 266 CA GLY 23 -47.035 -65.497 -48.358 1.00 1.00 ATOM 267 CA LEU 24 -48.301 -69.117 -48.768 1.00 1.00 ATOM 268 CA ASN 25 -48.120 -72.710 -47.501 1.00 1.00 ATOM 269 CA ALA 26 -47.592 -76.181 -48.950 1.00 1.00 ATOM 270 CA GLU 27 -51.375 -76.163 -49.128 1.00 1.00 ATOM 271 CA VAL 28 -51.072 -74.162 -52.410 1.00 1.00 ATOM 272 CA TRP 29 -50.135 -77.112 -54.643 1.00 1.00 ATOM 273 CA ARG 30 -53.314 -78.735 -53.389 1.00 1.00 ATOM 274 CA CYS 31 -54.235 -79.303 -57.024 1.00 1.00 ATOM 275 CA ILE 32 -50.987 -80.439 -58.533 1.00 1.00 ATOM 276 CA ASP 33 -50.094 -82.674 -55.624 1.00 1.00 ATOM 277 CA GLU 34 -52.567 -85.511 -56.475 1.00 1.00 ATOM 278 CA GLU 35 -51.931 -84.951 -60.170 1.00 1.00 ATOM 279 CA LEU 36 -48.177 -85.167 -59.826 1.00 1.00 ATOM 280 CA SER 37 -48.507 -88.294 -57.701 1.00 1.00 ATOM 281 CA SER 38 -50.681 -89.886 -60.363 1.00 1.00 ATOM 283 CA HIS 39 -46.068 -91.076 -61.432 1.00 1.00 ATOM 284 CA PHE 40 -43.952 -89.244 -58.878 1.00 1.00 ATOM 285 CA THR 41 -43.471 -88.999 -55.172 1.00 1.00 ATOM 286 CA LEU 42 -44.507 -85.449 -54.266 1.00 1.00 ATOM 287 CA HIS 43 -42.932 -83.701 -51.287 1.00 1.00 ATOM 288 CA LEU 44 -44.889 -80.488 -50.927 1.00 1.00 ATOM 289 CA VAL 45 -42.833 -78.640 -48.271 1.00 1.00 ATOM 290 CA ASP 46 -43.717 -75.823 -45.841 1.00 1.00 ATOM 291 CA LEU 47 -40.967 -73.278 -46.631 1.00 1.00 ATOM 292 CA PRO 48 -38.643 -72.506 -43.775 1.00 1.00 ATOM 293 CA GLY 49 -40.539 -70.057 -41.611 1.00 1.00 ATOM 294 CA PHE 50 -43.978 -71.158 -42.771 1.00 1.00 ATOM 295 CA GLY 51 -46.678 -73.372 -41.366 1.00 1.00 ATOM 296 CA ARG 52 -45.452 -76.397 -39.451 1.00 1.00 ATOM 297 CA SER 53 -41.724 -75.984 -40.108 1.00 1.00 ATOM 298 CA ARG 54 -39.510 -74.022 -37.684 1.00 1.00 ATOM 299 CA GLY 55 -39.817 -70.284 -38.282 1.00 1.00 ATOM 300 CA PHE 56 -37.288 -68.436 -36.110 1.00 1.00 ATOM 308 CA ALA 58 -30.668 -67.692 -49.633 1.00 1.00 ATOM 309 CA LEU 59 -27.265 -69.231 -49.148 1.00 1.00 ATOM 310 CA SER 60 -28.821 -70.784 -46.032 1.00 1.00 ATOM 311 CA LEU 61 -32.225 -71.848 -47.335 1.00 1.00 ATOM 312 CA ALA 62 -30.563 -73.697 -50.233 1.00 1.00 ATOM 313 CA ASP 63 -27.962 -75.440 -48.054 1.00 1.00 ATOM 314 CA MET 64 -30.688 -76.719 -45.670 1.00 1.00 ATOM 315 CA ALA 65 -32.775 -77.612 -48.624 1.00 1.00 ATOM 316 CA GLU 66 -29.934 -80.121 -49.278 1.00 1.00 ATOM 317 CA ALA 67 -29.556 -81.417 -45.730 1.00 1.00 ATOM 318 CA VAL 68 -33.241 -82.206 -46.265 1.00 1.00 ATOM 319 CA LEU 69 -32.546 -84.663 -49.030 1.00 1.00 ATOM 320 CA GLN 70 -29.628 -86.145 -47.029 1.00 1.00 ATOM 321 CA GLN 71 -31.696 -86.776 -43.911 1.00 1.00 ATOM 322 CA ALA 72 -34.610 -88.161 -45.982 1.00 1.00 ATOM 323 CA PRO 73 -31.961 -90.198 -47.826 1.00 1.00 ATOM 325 CA ASP 74 -29.868 -88.205 -53.660 1.00 1.00 ATOM 326 CA LYS 75 -31.801 -86.178 -56.239 1.00 1.00 ATOM 327 CA ALA 76 -35.170 -84.497 -56.842 1.00 1.00 ATOM 328 CA ILE 77 -37.135 -82.303 -59.164 1.00 1.00 ATOM 329 CA TRP 78 -37.331 -78.902 -57.606 1.00 1.00 ATOM 330 CA LEU 79 -40.311 -76.876 -58.648 1.00 1.00 ATOM 331 CA GLY 80 -40.558 -73.407 -57.116 1.00 1.00 ATOM 332 CA TRP 81 -43.071 -70.561 -57.541 1.00 1.00 ATOM 333 CA SER 82 -42.658 -67.042 -56.238 1.00 1.00 ATOM 334 CA LEU 83 -39.819 -66.508 -53.743 1.00 1.00 ATOM 335 CA GLY 84 -39.181 -70.303 -53.862 1.00 1.00 ATOM 336 CA GLY 85 -38.490 -70.305 -57.582 1.00 1.00 ATOM 337 CA LEU 86 -35.699 -67.927 -56.780 1.00 1.00 ATOM 338 CA VAL 87 -34.296 -70.587 -54.452 1.00 1.00 ATOM 339 CA ALA 88 -35.226 -73.365 -56.785 1.00 1.00 ATOM 340 CA SER 89 -32.996 -71.789 -59.508 1.00 1.00 ATOM 341 CA GLN 90 -30.199 -71.136 -57.014 1.00 1.00 ATOM 342 CA ILE 91 -30.690 -74.724 -56.052 1.00 1.00 ATOM 343 CA ALA 92 -29.922 -75.593 -59.674 1.00 1.00 ATOM 344 CA LEU 93 -26.961 -73.197 -59.705 1.00 1.00 ATOM 345 CA THR 94 -25.282 -74.309 -56.474 1.00 1.00 ATOM 346 CA HIS 95 -26.189 -77.976 -56.127 1.00 1.00 ATOM 347 CA PRO 96 -26.716 -79.375 -59.633 1.00 1.00 ATOM 348 CA GLU 97 -26.092 -82.975 -58.532 1.00 1.00 ATOM 349 CA ARG 98 -29.008 -83.072 -56.187 1.00 1.00 ATOM 350 CA VAL 99 -31.158 -81.489 -58.852 1.00 1.00 ATOM 351 CA GLN 100 -32.373 -83.775 -61.629 1.00 1.00 ATOM 352 CA ALA 101 -34.548 -80.899 -63.002 1.00 1.00 ATOM 353 CA LEU 102 -35.885 -77.419 -62.144 1.00 1.00 ATOM 354 CA VAL 103 -39.089 -75.541 -62.847 1.00 1.00 ATOM 355 CA THR 104 -39.966 -71.985 -61.894 1.00 1.00 ATOM 356 CA VAL 105 -43.408 -70.564 -61.803 1.00 1.00 ATOM 357 CA ALA 106 -43.562 -66.911 -62.800 1.00 1.00 ATOM 358 CA SER 107 -40.136 -66.323 -61.158 1.00 1.00 ATOM 359 CA SER 108 -37.318 -65.880 -63.709 1.00 1.00 ATOM 360 CA PRO 109 -33.709 -66.483 -63.143 1.00 1.00 ATOM 361 CA CYS 110 -32.619 -62.972 -62.097 1.00 1.00 ATOM 362 CA PHE 111 -28.799 -62.871 -61.674 1.00 1.00 ATOM 363 CA SER 112 -27.141 -59.920 -59.797 1.00 1.00 ATOM 364 CA ALA 113 -24.897 -57.280 -61.466 1.00 1.00 ATOM 365 CA ARG 114 -21.614 -57.184 -59.557 1.00 1.00 ATOM 366 CA ASP 115 -21.331 -53.465 -60.265 1.00 1.00 ATOM 367 CA GLU 116 -24.833 -52.506 -59.157 1.00 1.00 ATOM 368 CA TRP 117 -25.771 -52.451 -55.424 1.00 1.00 ATOM 369 CA PRO 118 -28.841 -54.807 -55.230 1.00 1.00 ATOM 370 CA GLY 119 -30.735 -52.379 -53.116 1.00 1.00 ATOM 371 CA ILE 120 -30.450 -49.613 -55.627 1.00 1.00 ATOM 372 CA LYS 121 -31.992 -51.875 -58.227 1.00 1.00 ATOM 392 CA PRO 122 -45.857 -57.752 -39.715 1.00 1.00 ATOM 393 CA ASP 123 -48.021 -55.491 -37.656 1.00 1.00 ATOM 394 CA VAL 124 -50.052 -54.502 -40.769 1.00 1.00 ATOM 395 CA LEU 125 -50.714 -57.958 -42.232 1.00 1.00 ATOM 396 CA ALA 126 -51.184 -59.677 -38.856 1.00 1.00 ATOM 397 CA GLY 127 -53.865 -57.289 -37.420 1.00 1.00 ATOM 398 CA PHE 128 -56.604 -59.120 -39.320 1.00 1.00 ATOM 399 CA GLN 129 -55.513 -62.098 -41.387 1.00 1.00 ATOM 400 CA GLN 130 -59.052 -62.626 -42.581 1.00 1.00 ATOM 401 CA GLN 131 -58.622 -59.479 -44.728 1.00 1.00 ATOM 402 CA LEU 132 -54.928 -60.044 -45.369 1.00 1.00 ATOM 403 CA SER 133 -55.440 -63.228 -47.350 1.00 1.00 ATOM 404 CA ASP 134 -58.482 -62.413 -49.499 1.00 1.00 ATOM 405 CA ASP 135 -56.626 -59.200 -50.413 1.00 1.00 ATOM 406 CA PHE 136 -53.456 -60.977 -51.387 1.00 1.00 ATOM 407 CA GLN 137 -55.135 -63.851 -53.181 1.00 1.00 ATOM 408 CA ARG 138 -57.222 -62.457 -55.925 1.00 1.00 ATOM 409 CA THR 139 -57.189 -63.280 -59.652 1.00 1.00 ATOM 410 CA VAL 140 -56.199 -61.418 -62.798 1.00 1.00 ATOM 411 CA GLU 141 -59.699 -59.942 -63.091 1.00 1.00 ATOM 412 CA ARG 142 -60.105 -58.975 -59.469 1.00 1.00 ATOM 413 CA PHE 143 -60.388 -55.546 -57.929 1.00 1.00 ATOM 414 CA LEU 144 -58.901 -54.681 -54.519 1.00 1.00 ATOM 415 CA ALA 145 -55.447 -56.190 -55.040 1.00 1.00 ATOM 416 CA LEU 146 -52.278 -55.131 -53.170 1.00 1.00 ATOM 417 CA GLN 147 -50.315 -51.811 -53.285 1.00 1.00 ATOM 418 CA THR 148 -47.125 -53.071 -54.836 1.00 1.00 ATOM 419 CA MET 149 -45.641 -49.576 -55.441 1.00 1.00 ATOM 420 CA GLY 150 -47.748 -46.920 -53.669 1.00 1.00 ATOM 421 CA THR 151 -47.066 -48.727 -50.349 1.00 1.00 ATOM 439 CA GLU 152 -63.614 -66.405 -56.771 1.00 1.00 ATOM 440 CA THR 153 -60.314 -68.241 -56.622 1.00 1.00 ATOM 441 CA ALA 154 -60.566 -69.513 -53.059 1.00 1.00 ATOM 442 CA ARG 155 -63.179 -70.750 -50.586 1.00 1.00 ATOM 443 CA GLN 156 -63.807 -69.607 -47.029 1.00 1.00 ATOM 444 CA ASP 157 -62.115 -72.696 -45.649 1.00 1.00 ATOM 445 CA ALA 158 -59.332 -72.345 -48.192 1.00 1.00 ATOM 446 CA ARG 159 -58.698 -69.106 -46.387 1.00 1.00 ATOM 447 CA ALA 160 -59.266 -70.346 -42.852 1.00 1.00 ATOM 448 CA LEU 161 -56.490 -72.882 -43.412 1.00 1.00 ATOM 449 CA LYS 162 -53.963 -70.224 -44.494 1.00 1.00 ATOM 450 CA LYS 163 -54.949 -68.283 -41.374 1.00 1.00 ATOM 451 CA THR 164 -54.591 -71.165 -38.900 1.00 1.00 ATOM 452 CA VAL 165 -51.435 -72.193 -40.610 1.00 1.00 ATOM 453 CA LEU 166 -50.183 -68.612 -40.099 1.00 1.00 ATOM 454 CA ALA 167 -51.306 -68.100 -36.539 1.00 1.00 ATOM 455 CA LEU 168 -48.553 -70.504 -35.563 1.00 1.00 ATOM 456 CA PRO 169 -45.809 -68.566 -37.409 1.00 1.00 ATOM 457 CA MET 170 -46.966 -64.967 -37.349 1.00 1.00 ATOM 458 CA PRO 171 -45.418 -63.024 -40.283 1.00 1.00 ATOM 460 CA GLU 172 -40.262 -65.288 -40.689 1.00 1.00 ATOM 461 CA VAL 173 -42.076 -65.441 -43.970 1.00 1.00 ATOM 462 CA ASP 174 -41.141 -61.744 -44.497 1.00 1.00 ATOM 463 CA VAL 175 -37.555 -62.371 -43.388 1.00 1.00 ATOM 464 CA LEU 176 -37.063 -63.729 -47.008 1.00 1.00 ATOM 465 CA ASN 177 -37.010 -60.170 -48.383 1.00 1.00 ATOM 466 CA GLY 178 -34.659 -58.838 -45.712 1.00 1.00 ATOM 467 CA GLY 179 -31.481 -60.611 -46.808 1.00 1.00 ATOM 468 CA LEU 180 -31.270 -58.455 -49.906 1.00 1.00 ATOM 469 CA GLU 181 -27.581 -57.528 -49.869 1.00 1.00 ATOM 470 CA ILE 182 -26.119 -60.873 -48.795 1.00 1.00 ATOM 471 CA LEU 183 -28.220 -62.850 -51.222 1.00 1.00 ATOM 472 CA LYS 184 -26.714 -60.662 -53.924 1.00 1.00 ATOM 473 CA THR 185 -23.287 -61.106 -52.289 1.00 1.00 ATOM 474 CA VAL 186 -23.641 -64.884 -52.486 1.00 1.00 ATOM 475 CA ASP 187 -25.224 -65.346 -55.942 1.00 1.00 ATOM 476 CA LEU 188 -22.365 -63.220 -57.210 1.00 1.00 ATOM 477 CA ARG 189 -20.492 -66.446 -57.763 1.00 1.00 ATOM 478 CA GLN 190 -22.848 -68.269 -60.049 1.00 1.00 ATOM 479 CA PRO 191 -21.879 -65.365 -62.238 1.00 1.00 ATOM 480 CA LEU 192 -19.280 -67.439 -64.018 1.00 1.00 ATOM 481 CA GLN 193 -21.493 -70.533 -64.212 1.00 1.00 ATOM 482 CA ASN 194 -24.345 -71.621 -66.438 1.00 1.00 ATOM 483 CA VAL 195 -27.394 -73.833 -65.669 1.00 1.00 ATOM 484 CA SER 196 -27.383 -77.167 -67.539 1.00 1.00 ATOM 485 CA MET 197 -29.671 -79.604 -65.679 1.00 1.00 ATOM 486 CA PRO 198 -33.162 -79.651 -67.318 1.00 1.00 ATOM 487 CA PHE 199 -35.107 -76.411 -66.786 1.00 1.00 ATOM 488 CA LEU 200 -38.543 -74.982 -67.314 1.00 1.00 ATOM 489 CA ARG 201 -39.729 -71.401 -67.109 1.00 1.00 ATOM 490 CA LEU 202 -43.429 -71.077 -66.989 1.00 1.00 ATOM 491 CA TYR 203 -44.608 -67.477 -67.237 1.00 1.00 ATOM 492 CA GLY 204 -47.964 -65.956 -66.222 1.00 1.00 ATOM 493 CA TYR 205 -49.307 -63.446 -68.800 1.00 1.00 ATOM 494 CA LEU 206 -50.802 -60.951 -66.308 1.00 1.00 ATOM 495 CA ASP 207 -48.474 -61.167 -63.283 1.00 1.00 ATOM 496 CA GLY 208 -48.208 -57.621 -62.064 1.00 1.00 ATOM 497 CA LEU 209 -44.727 -57.867 -60.528 1.00 1.00 ATOM 498 CA VAL 210 -42.638 -60.722 -61.984 1.00 1.00 ATOM 499 CA PRO 211 -44.137 -60.116 -65.390 1.00 1.00 ATOM 500 CA ARG 212 -42.974 -62.380 -68.312 1.00 1.00 ATOM 501 CA LYS 213 -40.884 -59.654 -69.875 1.00 1.00 ATOM 502 CA VAL 214 -38.259 -60.092 -67.060 1.00 1.00 ATOM 503 CA VAL 215 -37.331 -63.568 -68.307 1.00 1.00 ATOM 504 CA PRO 216 -36.438 -62.728 -71.882 1.00 1.00 ATOM 505 CA MET 217 -32.720 -62.879 -71.209 1.00 1.00 ATOM 506 CA LEU 218 -32.671 -66.194 -69.251 1.00 1.00 ATOM 507 CA ASP 219 -31.340 -68.373 -72.088 1.00 1.00 ATOM 508 CA LYS 220 -28.162 -66.326 -71.905 1.00 1.00 ATOM 509 CA LEU 221 -27.829 -68.301 -68.713 1.00 1.00 ATOM 510 CA TRP 222 -30.027 -71.224 -69.386 1.00 1.00 ATOM 511 CA PRO 223 -29.584 -72.673 -72.909 1.00 1.00 ATOM 512 CA HIS 224 -32.309 -75.199 -73.751 1.00 1.00 ATOM 513 CA SER 225 -34.512 -73.492 -71.165 1.00 1.00 ATOM 514 CA GLU 226 -37.951 -74.870 -72.102 1.00 1.00 ATOM 515 CA SER 227 -40.928 -72.634 -71.900 1.00 1.00 ATOM 516 CA TYR 228 -44.330 -72.504 -70.459 1.00 1.00 ATOM 517 CA ILE 229 -46.851 -69.745 -70.831 1.00 1.00 ATOM 518 CA PHE 230 -50.280 -69.417 -69.235 1.00 1.00 ATOM 519 CA ALA 231 -52.662 -66.694 -70.519 1.00 1.00 ATOM 520 CA LYS 232 -54.937 -64.682 -68.184 1.00 1.00 ATOM 521 CA ALA 233 -52.774 -65.379 -65.150 1.00 1.00 ATOM 522 CA ALA 234 -52.338 -63.753 -61.739 1.00 1.00 ATOM 523 CA HIS 235 -49.411 -64.237 -59.410 1.00 1.00 ATOM 524 CA ALA 236 -51.481 -67.046 -57.947 1.00 1.00 ATOM 525 CA PRO 237 -50.752 -69.503 -60.755 1.00 1.00 ATOM 526 CA PHE 238 -51.505 -72.939 -59.264 1.00 1.00 ATOM 527 CA ILE 239 -54.638 -71.747 -57.506 1.00 1.00 ATOM 528 CA SER 240 -55.743 -69.773 -60.592 1.00 1.00 ATOM 529 CA HIS 241 -55.033 -71.879 -63.699 1.00 1.00 ATOM 530 CA PRO 242 -54.333 -75.321 -62.235 1.00 1.00 ATOM 531 CA ALA 243 -55.652 -77.739 -64.812 1.00 1.00 ATOM 532 CA GLU 244 -53.240 -75.972 -67.136 1.00 1.00 ATOM 533 CA PHE 245 -50.288 -75.861 -64.769 1.00 1.00 ATOM 534 CA CYS 246 -50.767 -79.579 -64.237 1.00 1.00 ATOM 535 CA HIS 247 -50.769 -80.408 -67.957 1.00 1.00 ATOM 536 CA LEU 248 -47.615 -78.452 -68.714 1.00 1.00 ATOM 537 CA LEU 249 -45.870 -79.627 -65.547 1.00 1.00 ATOM 538 CA VAL 250 -46.605 -83.239 -66.295 1.00 1.00 ATOM 539 CA ALA 251 -45.947 -82.999 -70.059 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 08:57:08 2002 Date: Wed, 14 Aug 2002 08:57:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0171 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 08:29:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_431328_23377 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0171TS007_1 Current information on models submitted in prediction T0171TS007 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_1 PIN_431328_23377 6269-7633-6117 08/14/02 08:29:09 casp5@bialko.llnl.gov T0171TS007_5 PIN_364476_23358 6269-7633-6117 08/14/02 08:22:40 casp5@bialko.llnl.gov T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 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 T0171 MODEL_INDEX PIN CODE DATE E-mail T0171TS007_1 PIN_431328_23377 6269-7633-6117 08/14/02 08:29:09 casp5@bialko.llnl.gov T0171TS007_2 PIN_340703_23352 6269-7633-6117 08/14/02 08:20:03 casp5@bialko.llnl.gov T0171TS007_3 PIN_333168_23350 6269-7633-6117 08/14/02 08:19:27 casp5@bialko.llnl.gov T0171TS007_4 PIN_331367_23349 6269-7633-6117 08/14/02 08:19:09 casp5@bialko.llnl.gov T0171TS007_5 PIN_364476_23358 6269-7633-6117 08/14/02 08:22:40 casp5@bialko.llnl.gov T0171SS007_1 PIN_236141_19718 6269-7633-6117 08/07/02 20:11:06 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 T0171 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1A88_B # Loading PARENT structure: 1a88 (chain: B) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue W 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue W 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue F 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue M 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue A 72 # IMPORTANT NOTE! Not complete main chain atoms for residue P 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue I 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue P 109 # IMPORTANT NOTE! Not complete main chain atoms for residue C 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue W 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue F 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 147 # IMPORTANT NOTE! Not complete main chain atoms for residue T 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue R 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 156 # IMPORTANT NOTE! Not complete main chain atoms for residue D 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue L 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue G 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue I 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue P 198 # IMPORTANT NOTE! Not complete main chain atoms for residue F 199 # IMPORTANT NOTE! Not complete main chain atoms for residue L 200 # IMPORTANT NOTE! Not complete main chain atoms for residue R 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue G 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue V 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue M 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue W 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue A 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue P 237 # IMPORTANT NOTE! Not complete main chain atoms for residue F 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue H 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue F 245 # IMPORTANT NOTE! Not complete main chain atoms for residue C 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0171 # Total number of residues in target: 256 # Total number of residues in model: 246 # Total number of atoms in model: 246 # Number of atoms with 1.0 occupancy: 246 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 246 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0171 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1A88_B ATOM 10 CA ASN 3 24.677 39.204 -17.347 1.00 1.00 ATOM 11 CA ILE 4 21.081 40.256 -18.094 1.00 1.00 ATOM 12 CA TRP 5 19.585 43.148 -16.030 1.00 1.00 ATOM 13 CA TRP 6 15.958 42.949 -14.959 1.00 1.00 ATOM 14 CA GLN 7 13.421 44.760 -12.793 1.00 1.00 ATOM 15 CA THR 8 10.933 42.770 -10.668 1.00 1.00 ATOM 16 CA LYS 9 8.346 44.877 -8.834 1.00 1.00 ATOM 17 CA GLY 10 5.057 44.134 -7.058 1.00 1.00 ATOM 18 CA GLN 11 3.713 41.335 -4.890 1.00 1.00 ATOM 19 CA GLY 12 5.963 38.274 -4.758 1.00 1.00 ATOM 20 CA ASN 13 2.733 36.236 -4.835 1.00 1.00 ATOM 22 CA VAL 14 0.446 36.945 -11.126 1.00 1.00 ATOM 23 CA HIS 15 3.596 37.642 -13.171 1.00 1.00 ATOM 24 CA LEU 16 3.328 39.977 -16.185 1.00 1.00 ATOM 25 CA VAL 17 6.603 39.903 -18.176 1.00 1.00 ATOM 26 CA LEU 18 7.420 42.737 -20.611 1.00 1.00 ATOM 27 CA LEU 19 9.715 42.464 -23.644 1.00 1.00 ATOM 28 CA HIS 20 10.941 45.806 -25.051 1.00 1.00 ATOM 29 CA GLY 21 11.442 46.587 -28.735 1.00 1.00 ATOM 30 CA TRP 22 14.592 47.667 -30.598 1.00 1.00 ATOM 31 CA GLY 23 16.747 49.452 -29.803 1.00 1.00 ATOM 32 CA LEU 24 15.378 50.223 -26.323 1.00 1.00 ATOM 33 CA ASN 25 15.362 48.820 -22.773 1.00 1.00 ATOM 34 CA ALA 26 13.107 47.700 -19.919 1.00 1.00 ATOM 35 CA GLU 27 12.612 51.470 -19.103 1.00 1.00 ATOM 36 CA VAL 28 10.383 51.834 -22.182 1.00 1.00 ATOM 37 CA TRP 29 7.638 50.117 -20.121 1.00 1.00 ATOM 38 CA ARG 30 7.388 52.627 -17.223 1.00 1.00 ATOM 39 CA CYS 31 3.728 53.491 -17.955 1.00 1.00 ATOM 40 CA ILE 32 2.537 49.873 -18.266 1.00 1.00 ATOM 41 CA ASP 33 4.538 48.672 -15.289 1.00 1.00 ATOM 42 CA GLU 34 3.000 51.305 -12.962 1.00 1.00 ATOM 43 CA GLU 35 -0.398 50.526 -14.475 1.00 1.00 ATOM 44 CA LEU 36 -0.211 46.759 -13.878 1.00 1.00 ATOM 45 CA SER 37 1.403 47.303 -10.435 1.00 1.00 ATOM 46 CA SER 38 -1.627 49.414 -9.482 1.00 1.00 ATOM 48 CA HIS 39 -1.989 44.098 -8.145 1.00 1.00 ATOM 49 CA PHE 40 0.230 42.271 -10.617 1.00 1.00 ATOM 50 CA THR 41 3.896 41.307 -10.259 1.00 1.00 ATOM 51 CA LEU 42 5.736 43.152 -13.107 1.00 1.00 ATOM 52 CA HIS 43 9.003 41.931 -14.612 1.00 1.00 ATOM 53 CA LEU 44 11.027 43.482 -17.442 1.00 1.00 ATOM 54 CA VAL 45 14.576 42.742 -18.583 1.00 1.00 ATOM 55 CA ASP 46 17.146 44.557 -20.797 1.00 1.00 ATOM 56 CA LEU 47 17.901 42.344 -23.872 1.00 1.00 ATOM 57 CA PRO 48 21.603 41.459 -24.206 1.00 1.00 ATOM 58 CA GLY 49 23.508 44.471 -25.579 1.00 1.00 ATOM 59 CA PHE 50 20.736 46.859 -24.487 1.00 1.00 ATOM 60 CA GLY 51 20.203 49.171 -21.488 1.00 1.00 ATOM 61 CA ARG 52 22.053 47.937 -18.368 1.00 1.00 ATOM 62 CA SER 53 22.750 44.419 -19.648 1.00 1.00 ATOM 63 CA ARG 54 26.233 43.374 -20.693 1.00 1.00 ATOM 64 CA GLY 55 27.444 44.102 -24.263 1.00 1.00 ATOM 65 CA PHE 56 28.736 40.734 -25.519 1.00 1.00 ATOM 71 CA ALA 58 16.315 35.393 -31.857 1.00 1.00 ATOM 72 CA LEU 59 17.315 31.939 -30.640 1.00 1.00 ATOM 73 CA SER 60 19.784 33.453 -28.115 1.00 1.00 ATOM 74 CA LEU 61 17.195 36.072 -27.076 1.00 1.00 ATOM 75 CA ALA 62 14.630 33.363 -26.421 1.00 1.00 ATOM 76 CA ASP 63 17.239 31.348 -24.500 1.00 1.00 ATOM 77 CA MET 64 18.016 34.415 -22.367 1.00 1.00 ATOM 78 CA ALA 65 14.298 34.716 -21.515 1.00 1.00 ATOM 79 CA GLU 66 14.260 31.032 -20.469 1.00 1.00 ATOM 80 CA ALA 67 17.282 31.640 -18.211 1.00 1.00 ATOM 81 CA VAL 68 15.346 34.486 -16.537 1.00 1.00 ATOM 82 CA LEU 69 12.013 32.673 -16.120 1.00 1.00 ATOM 83 CA GLN 70 13.848 29.608 -14.791 1.00 1.00 ATOM 84 CA GLN 71 15.951 31.696 -12.349 1.00 1.00 ATOM 85 CA ALA 72 12.772 33.326 -10.996 1.00 1.00 ATOM 86 CA PRO 73 10.749 30.065 -11.278 1.00 1.00 ATOM 88 CA ASP 74 4.532 29.959 -13.324 1.00 1.00 ATOM 89 CA LYS 75 1.531 30.938 -15.498 1.00 1.00 ATOM 90 CA ALA 76 3.137 34.209 -16.571 1.00 1.00 ATOM 91 CA ILE 77 1.642 36.561 -19.145 1.00 1.00 ATOM 92 CA TRP 78 4.346 37.708 -21.650 1.00 1.00 ATOM 93 CA LEU 79 3.755 41.052 -23.413 1.00 1.00 ATOM 94 CA GLY 80 6.200 41.899 -26.232 1.00 1.00 ATOM 95 CA TRP 81 6.473 45.029 -28.359 1.00 1.00 ATOM 96 CA SER 82 7.908 45.176 -31.879 1.00 1.00 ATOM 97 CA LEU 83 11.137 43.097 -31.864 1.00 1.00 ATOM 98 CA GLY 84 10.199 41.975 -28.364 1.00 1.00 ATOM 99 CA GLY 85 7.052 40.379 -29.904 1.00 1.00 ATOM 100 CA LEU 86 9.325 38.062 -31.970 1.00 1.00 ATOM 101 CA VAL 87 11.311 37.197 -28.846 1.00 1.00 ATOM 102 CA ALA 88 8.029 36.345 -27.111 1.00 1.00 ATOM 103 CA SER 89 6.752 34.190 -30.003 1.00 1.00 ATOM 104 CA GLN 90 10.016 32.176 -30.038 1.00 1.00 ATOM 105 CA ILE 91 10.215 31.818 -26.250 1.00 1.00 ATOM 106 CA ALA 92 6.543 30.850 -25.802 1.00 1.00 ATOM 107 CA LEU 93 6.824 28.233 -28.582 1.00 1.00 ATOM 108 CA THR 94 9.734 26.631 -26.721 1.00 1.00 ATOM 109 CA HIS 95 8.701 27.198 -23.109 1.00 1.00 ATOM 111 CA PRO 96 4.821 23.571 -19.628 1.00 1.00 ATOM 112 CA GLU 97 3.085 25.786 -17.090 1.00 1.00 ATOM 113 CA ARG 98 5.621 28.612 -17.611 1.00 1.00 ATOM 114 CA VAL 99 3.215 30.622 -19.733 1.00 1.00 ATOM 115 CA GLN 100 -0.524 31.252 -19.504 1.00 1.00 ATOM 116 CA ALA 101 -0.988 33.936 -22.210 1.00 1.00 ATOM 117 CA LEU 102 1.016 36.106 -24.637 1.00 1.00 ATOM 118 CA VAL 103 0.411 39.555 -26.133 1.00 1.00 ATOM 119 CA THR 104 2.076 40.667 -29.402 1.00 1.00 ATOM 120 CA VAL 105 1.927 44.468 -29.754 1.00 1.00 ATOM 121 CA ALA 106 3.056 46.090 -33.025 1.00 1.00 ATOM 122 CA SER 107 5.089 42.902 -33.449 1.00 1.00 ATOM 123 CA SER 108 7.359 41.640 -36.213 1.00 1.00 ATOM 124 CA PRO 109 5.917 38.129 -36.951 1.00 1.00 ATOM 125 CA CYS 110 5.337 36.364 -39.150 1.00 1.00 ATOM 127 CA PHE 111 9.062 41.297 -42.355 1.00 1.00 ATOM 128 CA SER 112 11.416 41.021 -45.314 1.00 1.00 ATOM 129 CA ALA 113 9.958 40.771 -48.820 1.00 1.00 ATOM 130 CA ARG 114 10.503 37.349 -50.385 1.00 1.00 ATOM 131 CA ASP 115 9.067 34.458 -52.390 1.00 1.00 ATOM 132 CA GLU 116 6.976 33.390 -49.385 1.00 1.00 ATOM 133 CA TRP 117 6.188 37.023 -48.449 1.00 1.00 ATOM 134 CA PRO 118 5.468 39.238 -51.468 1.00 1.00 ATOM 135 CA GLY 119 4.006 41.984 -49.295 1.00 1.00 ATOM 136 CA ILE 120 7.132 42.382 -47.132 1.00 1.00 ATOM 137 CA LYS 121 9.547 45.290 -47.110 1.00 1.00 ATOM 138 CA PRO 122 12.543 45.114 -49.423 1.00 1.00 ATOM 140 CA ASP 123 17.111 47.894 -48.957 1.00 1.00 ATOM 141 CA VAL 124 14.999 49.512 -46.199 1.00 1.00 ATOM 142 CA LEU 125 17.005 47.562 -43.592 1.00 1.00 ATOM 143 CA ALA 126 20.294 48.251 -45.393 1.00 1.00 ATOM 144 CA GLY 127 19.442 51.917 -44.995 1.00 1.00 ATOM 145 CA PHE 128 18.909 51.596 -41.248 1.00 1.00 ATOM 146 CA GLN 129 22.209 49.628 -40.904 1.00 1.00 ATOM 147 CA GLN 130 24.156 52.277 -42.816 1.00 1.00 ATOM 148 CA GLN 131 22.787 55.244 -40.865 1.00 1.00 ATOM 149 CA LEU 132 23.231 53.515 -37.490 1.00 1.00 ATOM 150 CA SER 133 26.878 52.631 -38.286 1.00 1.00 ATOM 151 CA ASP 134 27.681 56.119 -39.584 1.00 1.00 ATOM 152 CA ASP 135 26.205 58.350 -36.807 1.00 1.00 ATOM 153 CA PHE 136 24.166 56.360 -34.294 1.00 1.00 ATOM 154 CA GLN 137 23.535 59.421 -32.088 1.00 1.00 ATOM 155 CA ARG 138 21.862 61.355 -34.914 1.00 1.00 ATOM 156 CA THR 139 20.007 58.333 -36.318 1.00 1.00 ATOM 157 CA VAL 140 18.490 57.829 -32.823 1.00 1.00 ATOM 158 CA GLU 141 17.070 61.384 -32.878 1.00 1.00 ATOM 159 CA ARG 142 15.676 60.922 -36.437 1.00 1.00 ATOM 160 CA PHE 143 13.808 57.655 -35.762 1.00 1.00 ATOM 161 CA LEU 144 11.728 58.771 -32.737 1.00 1.00 ATOM 162 CA ALA 145 11.315 62.242 -34.255 1.00 1.00 ATOM 163 CA LEU 146 9.795 60.805 -37.442 1.00 1.00 ATOM 164 CA GLN 147 8.270 57.407 -37.935 1.00 1.00 ATOM 165 CA THR 148 8.364 55.720 -34.542 1.00 1.00 ATOM 166 CA MET 149 5.665 57.643 -32.676 1.00 1.00 ATOM 167 CA GLY 150 3.985 59.196 -35.777 1.00 1.00 ATOM 168 CA THR 151 5.142 62.674 -34.820 1.00 1.00 ATOM 169 CA GLU 152 5.756 63.338 -38.531 1.00 1.00 ATOM 170 CA THR 153 1.931 63.280 -39.056 1.00 1.00 ATOM 175 CA ALA 154 4.276 65.690 -30.017 1.00 1.00 ATOM 176 CA ARG 155 6.029 64.887 -26.707 1.00 1.00 ATOM 177 CA GLN 156 9.721 65.920 -26.613 1.00 1.00 ATOM 178 CA ASP 157 10.196 63.726 -23.525 1.00 1.00 ATOM 179 CA ALA 158 9.287 60.611 -25.531 1.00 1.00 ATOM 180 CA ARG 159 11.820 61.530 -28.196 1.00 1.00 ATOM 181 CA ALA 160 14.589 62.236 -25.636 1.00 1.00 ATOM 182 CA LEU 161 13.841 59.048 -23.662 1.00 1.00 ATOM 183 CA LYS 162 13.950 56.837 -26.778 1.00 1.00 ATOM 184 CA LYS 163 17.314 58.332 -27.725 1.00 1.00 ATOM 185 CA THR 164 18.708 57.828 -24.176 1.00 1.00 ATOM 186 CA VAL 165 17.624 54.194 -24.035 1.00 1.00 ATOM 187 CA LEU 166 19.177 53.567 -27.455 1.00 1.00 ATOM 188 CA ALA 167 22.479 55.351 -26.634 1.00 1.00 ATOM 189 CA LEU 168 22.936 53.223 -23.448 1.00 1.00 ATOM 190 CA PRO 169 22.883 50.024 -25.514 1.00 1.00 ATOM 191 CA GLU 172 25.607 48.564 -27.704 1.00 1.00 ATOM 192 CA VAL 173 26.257 49.672 -31.281 1.00 1.00 ATOM 193 CA ASP 174 27.087 46.080 -32.345 1.00 1.00 ATOM 194 CA VAL 175 23.941 44.527 -30.787 1.00 1.00 ATOM 195 CA LEU 176 21.695 47.238 -32.236 1.00 1.00 ATOM 196 CA ASN 177 23.288 46.885 -35.698 1.00 1.00 ATOM 197 CA GLY 178 23.025 43.053 -35.700 1.00 1.00 ATOM 198 CA GLY 179 19.504 42.981 -34.288 1.00 1.00 ATOM 199 CA LEU 180 18.143 44.713 -37.434 1.00 1.00 ATOM 200 CA GLU 181 18.651 41.483 -39.443 1.00 1.00 ATOM 201 CA ILE 182 17.410 39.394 -36.516 1.00 1.00 ATOM 202 CA LEU 183 14.058 41.186 -36.307 1.00 1.00 ATOM 203 CA LYS 184 13.455 41.733 -40.035 1.00 1.00 ATOM 204 CA THR 185 14.710 38.514 -41.591 1.00 1.00 ATOM 205 CA VAL 186 13.774 35.824 -39.039 1.00 1.00 ATOM 206 CA ASP 187 10.707 33.863 -40.074 1.00 1.00 ATOM 207 CA LEU 188 8.467 33.209 -37.047 1.00 1.00 ATOM 208 CA ARG 189 5.814 31.203 -38.949 1.00 1.00 ATOM 209 CA GLN 190 6.792 27.911 -37.332 1.00 1.00 ATOM 210 CA PRO 191 6.898 29.499 -33.875 1.00 1.00 ATOM 211 CA LEU 192 3.363 30.867 -34.155 1.00 1.00 ATOM 212 CA GLN 193 2.125 27.483 -35.431 1.00 1.00 ATOM 213 CA ASN 194 3.228 25.875 -32.127 1.00 1.00 ATOM 214 CA VAL 195 1.689 28.397 -29.731 1.00 1.00 ATOM 215 CA SER 196 -1.348 26.974 -27.963 1.00 1.00 ATOM 216 CA MET 197 -2.072 29.566 -25.260 1.00 1.00 ATOM 217 CA PRO 198 -4.371 32.511 -25.967 1.00 1.00 ATOM 218 CA PHE 199 -2.618 35.380 -27.736 1.00 1.00 ATOM 219 CA LEU 200 -3.775 38.960 -28.062 1.00 1.00 ATOM 220 CA ARG 201 -2.433 40.469 -31.304 1.00 1.00 ATOM 221 CA LEU 202 -2.610 44.268 -31.167 1.00 1.00 ATOM 222 CA TYR 203 -1.366 46.665 -33.837 1.00 1.00 ATOM 223 CA GLY 204 -1.922 50.232 -34.996 1.00 1.00 ATOM 224 CA TYR 205 -2.936 50.742 -38.636 1.00 1.00 ATOM 225 CA LEU 206 -0.640 53.718 -39.283 1.00 1.00 ATOM 226 CA ASP 207 2.509 51.866 -38.083 1.00 1.00 ATOM 227 CA GLY 208 5.404 53.295 -40.069 1.00 1.00 ATOM 228 CA LEU 209 7.976 50.798 -38.721 1.00 1.00 ATOM 229 CA VAL 210 6.276 47.397 -38.811 1.00 1.00 ATOM 230 CA PRO 211 3.636 47.626 -41.592 1.00 1.00 ATOM 232 CA ARG 212 -0.983 44.446 -43.158 1.00 1.00 ATOM 233 CA LYS 213 2.135 42.224 -43.382 1.00 1.00 ATOM 234 CA VAL 214 2.098 41.539 -39.640 1.00 1.00 ATOM 235 CA VAL 215 -0.990 41.576 -37.378 1.00 1.00 ATOM 236 CA PRO 216 -3.632 39.869 -39.583 1.00 1.00 ATOM 237 CA MET 217 -1.132 37.267 -40.756 1.00 1.00 ATOM 238 CA LEU 218 0.021 36.386 -37.245 1.00 1.00 ATOM 239 CA ASP 219 -3.586 36.121 -36.055 1.00 1.00 ATOM 240 CA LYS 220 -4.360 33.697 -38.908 1.00 1.00 ATOM 241 CA LEU 221 -1.441 31.466 -37.924 1.00 1.00 ATOM 242 CA TRP 222 -2.232 31.312 -34.221 1.00 1.00 ATOM 243 CA PRO 223 -4.692 28.749 -32.898 1.00 1.00 ATOM 244 CA HIS 224 -6.244 30.936 -30.184 1.00 1.00 ATOM 245 CA SER 225 -5.777 34.553 -31.219 1.00 1.00 ATOM 246 CA GLU 226 -7.724 37.744 -30.607 1.00 1.00 ATOM 247 CA SER 227 -6.883 40.490 -33.111 1.00 1.00 ATOM 248 CA TYR 228 -7.325 44.148 -32.132 1.00 1.00 ATOM 249 CA ILE 229 -6.684 46.893 -34.718 1.00 1.00 ATOM 250 CA PHE 230 -6.214 50.512 -33.653 1.00 1.00 ATOM 251 CA ALA 231 -7.037 52.927 -36.403 1.00 1.00 ATOM 252 CA LYS 232 -4.453 55.625 -37.000 1.00 1.00 ATOM 253 CA ALA 233 -2.036 54.668 -34.211 1.00 1.00 ATOM 254 CA ALA 234 1.712 54.470 -34.566 1.00 1.00 ATOM 255 CA HIS 235 4.408 51.978 -33.906 1.00 1.00 ATOM 256 CA ALA 236 5.010 53.336 -30.362 1.00 1.00 ATOM 257 CA PRO 237 1.357 53.565 -29.443 1.00 1.00 ATOM 258 CA PHE 238 1.954 52.060 -25.963 1.00 1.00 ATOM 259 CA ILE 239 3.601 55.416 -25.085 1.00 1.00 ATOM 260 CA SER 240 1.532 57.867 -27.206 1.00 1.00 ATOM 261 CA HIS 241 -1.871 56.319 -26.471 1.00 1.00 ATOM 262 CA PRO 242 -1.664 54.309 -23.232 1.00 1.00 ATOM 263 CA ALA 243 -5.201 55.330 -22.225 1.00 1.00 ATOM 264 CA GLU 244 -6.489 53.453 -25.308 1.00 1.00 ATOM 265 CA PHE 245 -4.288 50.371 -24.993 1.00 1.00 ATOM 266 CA CYS 246 -3.914 49.767 -21.248 1.00 1.00 ATOM 267 CA HIS 247 -7.587 48.906 -20.557 1.00 1.00 ATOM 268 CA LEU 248 -7.549 46.400 -23.482 1.00 1.00 ATOM 269 CA LEU 249 -4.415 44.784 -22.161 1.00 1.00 ATOM 270 CA VAL 250 -5.862 44.464 -18.610 1.00 1.00 ATOM 271 CA ALA 251 -9.132 43.006 -19.949 1.00 1.00 TER END ################################ # # # END # # # ################################