From mailer@bialko.llnl.gov Mon Aug 12 20:45:08 2002 Date: Mon, 12 Aug 2002 20:45:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 12 20:17:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_297124_21209 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177SS007_1 Current information on models submitted in prediction T0177SS007 MODEL_INDEX PIN CODE DATE E-mail T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0177 MODEL_INDEX PIN CODE DATE E-mail T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 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: 240 # Number of residues with nonzero confidence: 240 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0177 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-22677.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-25036//target-align-25036.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 22.9471 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-22677.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc62.31992/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Aug 12 12:19:49 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-25036//target-align-25036.a2m METHOD METHOD guide seq name: seed-seqs-22677.a2m(1), 240 bases, 83170031 checksum. METHOD ###end 0 MODEL 1 M C 0.72 G C 0.631 R C 0.519 A H 0.482 F H 0.566 E H 0.602 Y H 0.596 R H 0.626 R H 0.624 A H 0.614 A H 0.602 K H 0.565 E C 0.478 K H 0.583 R H 0.592 W H 0.629 D H 0.676 K H 0.684 M H 0.69 S H 0.71 K H 0.729 V H 0.727 F H 0.733 P H 0.736 K H 0.75 L H 0.743 A H 0.735 K H 0.752 A H 0.742 I H 0.72 T H 0.704 L H 0.696 A H 0.69 A H 0.665 K H 0.644 D H 0.583 G C 0.618 G C 0.803 S C 0.784 E C 0.785 P C 0.468 D H 0.52 T H 0.575 N H 0.561 A H 0.693 K H 0.708 L H 0.748 R H 0.752 T H 0.753 A H 0.751 I H 0.757 L H 0.755 N H 0.754 A H 0.724 K H 0.687 A H 0.636 Q C 0.466 N C 0.704 M C 0.757 P C 0.758 K H 0.594 D H 0.632 N H 0.634 I H 0.692 D H 0.719 A H 0.731 A H 0.713 I H 0.7 K H 0.679 R H 0.628 A C 0.451 S C 0.552 S C 0.633 K C 0.684 E C 0.614 G C 0.568 N C 0.479 L E 0.391 S E 0.441 E E 0.502 I E 0.538 T E 0.54 Y E 0.524 E E 0.467 G E 0.426 K C 0.431 A C 0.637 N C 0.656 F C 0.65 G C 0.539 V E 0.534 L E 0.66 I E 0.744 I E 0.75 M E 0.715 E E 0.646 C E 0.546 M E 0.423 T C 0.543 D C 0.644 N C 0.667 P C 0.505 T H 0.483 R H 0.577 T H 0.59 I H 0.685 A H 0.699 N H 0.7 L H 0.711 K H 0.715 S H 0.709 Y H 0.698 F H 0.678 N H 0.649 K H 0.63 T H 0.579 Q C 0.522 G C 0.664 A C 0.556 S C 0.419 I E 0.44 V C 0.499 P C 0.597 N C 0.637 G C 0.616 S C 0.483 L E 0.395 E E 0.442 F E 0.495 M E 0.472 F E 0.477 N C 0.398 R C 0.446 K C 0.459 S C 0.423 V E 0.544 F E 0.653 E E 0.652 C E 0.577 L C 0.421 K C 0.581 N C 0.655 E H 0.457 V H 0.511 E H 0.533 N C 0.454 L C 0.447 K C 0.5 L C 0.556 S C 0.631 L H 0.735 E H 0.772 D H 0.79 L H 0.779 E H 0.775 F H 0.779 A H 0.768 L H 0.757 I H 0.74 D H 0.704 Y H 0.559 G C 0.641 L H 0.473 E H 0.513 E H 0.537 L H 0.466 E H 0.384 E C 0.429 V C 0.544 E C 0.612 D C 0.606 K C 0.384 I E 0.563 I E 0.629 I E 0.643 R E 0.605 G E 0.489 D C 0.572 Y H 0.451 N H 0.571 S H 0.619 F H 0.736 K H 0.745 L H 0.754 L H 0.766 N H 0.78 E H 0.786 G H 0.777 F H 0.776 E H 0.754 S H 0.742 L H 0.612 K C 0.643 L C 0.606 P C 0.43 I E 0.419 L E 0.408 K C 0.376 A C 0.377 S E 0.409 L E 0.469 Q E 0.5 R E 0.49 I C 0.482 A C 0.591 T C 0.583 T C 0.521 P C 0.414 I E 0.405 E E 0.382 L C 0.488 N C 0.652 D H 0.579 E H 0.659 Q H 0.691 M H 0.773 E H 0.797 L H 0.803 T H 0.824 E H 0.83 K H 0.827 L H 0.819 L H 0.819 D H 0.8 R H 0.778 I H 0.708 E H 0.561 D C 0.532 D H 0.625 D H 0.648 D H 0.656 V H 0.674 V H 0.663 A H 0.645 L H 0.612 Y H 0.562 T H 0.48 N C 0.491 I C 0.563 E C 0.641 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 10:45:29 2002 Date: Mon, 19 Aug 2002 10:45:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0177 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 10:17:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_317989_27508 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177TS007_1 Current information on models submitted in prediction T0177TS007 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 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 T0177 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 casp5@bialko.llnl.gov T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1LFP_A # Loading PARENT structure: 1lfp (chain: A) # Number of residues in PARENT structure: 241 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue R 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 A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue W 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # IMPORTANT NOTE! Not complete main chain atoms for residue S 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue F 23 # IMPORTANT NOTE! Not complete main chain atoms for residue P 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue I 30 # IMPORTANT NOTE! Not complete main chain atoms for residue T 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue D 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue N 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue F 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue C 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue N 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue P 123 # IMPORTANT NOTE! Not complete main chain atoms for residue N 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue N 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue S 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue C 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue E 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue N 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue F 182 # IMPORTANT NOTE! Not complete main chain atoms for residue K 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue L 185 # IMPORTANT NOTE! Not complete main chain atoms for residue N 186 # IMPORTANT NOTE! Not complete main chain atoms for residue E 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue S 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue S 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 202 # IMPORTANT NOTE! Not complete main chain atoms for residue R 203 # IMPORTANT NOTE! Not complete main chain atoms for residue I 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue T 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue E 210 # IMPORTANT NOTE! Not complete main chain atoms for residue L 211 # IMPORTANT NOTE! Not complete main chain atoms for residue N 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 215 # IMPORTANT NOTE! Not complete main chain atoms for residue M 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue D 224 # IMPORTANT NOTE! Not complete main chain atoms for residue R 225 # IMPORTANT NOTE! Not complete main chain atoms for residue I 226 # IMPORTANT NOTE! Not complete main chain atoms for residue E 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue V 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue N 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0177 # Total number of residues in target: 240 # Total number of residues in model: 230 # Total number of atoms in model: 230 # Number of atoms with 1.0 occupancy: 230 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 230 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0177 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1LFP_A ATOM 5 CA ARG 3 25.629 34.556 3.059 1.00 1.00 ATOM 6 CA ALA 4 22.107 35.050 4.391 1.00 1.00 ATOM 7 CA PHE 5 22.664 38.040 6.619 1.00 1.00 ATOM 8 CA GLU 6 26.301 38.841 7.192 1.00 1.00 ATOM 9 CA TYR 7 25.692 42.182 5.504 1.00 1.00 ATOM 10 CA ARG 8 27.818 44.977 6.927 1.00 1.00 ATOM 11 CA ARG 9 28.008 46.156 3.292 1.00 1.00 ATOM 12 CA ALA 10 31.769 45.612 3.168 1.00 1.00 ATOM 13 CA ALA 11 33.946 45.506 6.267 1.00 1.00 ATOM 14 CA LYS 12 31.821 47.341 8.876 1.00 1.00 ATOM 15 CA GLU 13 28.851 49.611 8.059 1.00 1.00 ATOM 16 CA LYS 14 30.613 52.987 8.503 1.00 1.00 ATOM 17 CA ARG 15 33.737 53.822 10.537 1.00 1.00 ATOM 18 CA TRP 16 32.764 57.485 10.804 1.00 1.00 ATOM 19 CA ASP 17 29.049 58.281 10.737 1.00 1.00 ATOM 20 CA LYS 18 28.103 55.066 12.511 1.00 1.00 ATOM 21 CA MET 19 30.626 55.047 15.372 1.00 1.00 ATOM 22 CA SER 20 28.470 56.550 18.133 1.00 1.00 ATOM 23 CA LYS 21 25.885 53.863 17.517 1.00 1.00 ATOM 24 CA VAL 22 28.467 51.096 17.436 1.00 1.00 ATOM 25 CA PHE 23 30.198 52.348 20.606 1.00 1.00 ATOM 26 CA PRO 24 26.888 52.663 22.354 1.00 1.00 ATOM 27 CA LYS 25 26.345 48.942 21.749 1.00 1.00 ATOM 28 CA LEU 26 29.893 48.060 22.759 1.00 1.00 ATOM 29 CA ALA 27 29.418 50.033 25.994 1.00 1.00 ATOM 30 CA LYS 28 26.196 48.066 26.696 1.00 1.00 ATOM 31 CA ALA 29 27.993 44.730 26.171 1.00 1.00 ATOM 32 CA ILE 30 30.732 45.713 28.619 1.00 1.00 ATOM 33 CA THR 31 28.110 46.874 31.187 1.00 1.00 ATOM 34 CA LEU 32 26.083 43.644 30.990 1.00 1.00 ATOM 35 CA ALA 33 29.166 41.416 30.855 1.00 1.00 ATOM 36 CA ALA 34 30.260 43.216 34.009 1.00 1.00 ATOM 37 CA LYS 35 26.939 42.950 35.804 1.00 1.00 ATOM 38 CA ASP 36 26.839 39.249 34.897 1.00 1.00 ATOM 39 CA GLY 37 30.333 38.056 35.813 1.00 1.00 ATOM 40 CA GLY 38 32.023 40.840 37.747 1.00 1.00 ATOM 41 CA SER 39 34.285 43.843 36.831 1.00 1.00 ATOM 42 CA GLU 40 37.442 41.748 37.164 1.00 1.00 ATOM 43 CA PRO 41 38.185 40.343 33.688 1.00 1.00 ATOM 44 CA ASP 42 40.289 37.564 35.142 1.00 1.00 ATOM 45 CA THR 43 37.119 35.786 36.311 1.00 1.00 ATOM 46 CA ASN 44 35.050 37.017 33.350 1.00 1.00 ATOM 47 CA ALA 45 35.801 35.714 29.821 1.00 1.00 ATOM 48 CA LYS 46 32.866 37.601 28.314 1.00 1.00 ATOM 49 CA LEU 47 34.187 40.902 29.693 1.00 1.00 ATOM 50 CA ARG 48 37.668 40.078 28.482 1.00 1.00 ATOM 51 CA THR 49 36.234 39.741 24.996 1.00 1.00 ATOM 52 CA ALA 50 34.053 42.838 25.169 1.00 1.00 ATOM 53 CA ILE 51 37.064 44.861 26.226 1.00 1.00 ATOM 54 CA LEU 52 39.096 43.473 23.331 1.00 1.00 ATOM 55 CA ASN 53 36.432 44.261 20.729 1.00 1.00 ATOM 56 CA ALA 54 36.099 47.748 22.063 1.00 1.00 ATOM 57 CA LYS 55 39.822 48.274 21.762 1.00 1.00 ATOM 58 CA ALA 56 39.767 46.910 18.247 1.00 1.00 ATOM 59 CA GLN 57 37.091 49.386 17.224 1.00 1.00 ATOM 60 CA ASN 58 39.152 52.293 18.494 1.00 1.00 ATOM 62 CA PRO 60 38.633 55.406 23.854 1.00 1.00 ATOM 63 CA LYS 61 39.967 53.371 26.726 1.00 1.00 ATOM 64 CA ASP 62 38.387 55.874 29.097 1.00 1.00 ATOM 65 CA ASN 63 34.986 54.764 27.789 1.00 1.00 ATOM 66 CA ILE 64 35.787 51.143 28.352 1.00 1.00 ATOM 67 CA ASP 65 36.731 51.869 31.987 1.00 1.00 ATOM 68 CA ALA 66 33.630 53.990 32.541 1.00 1.00 ATOM 69 CA ALA 67 31.441 51.157 31.218 1.00 1.00 ATOM 70 CA ILE 68 32.913 48.623 33.647 1.00 1.00 ATOM 71 CA LYS 69 32.284 50.901 36.616 1.00 1.00 ATOM 72 CA ARG 70 28.722 51.367 35.505 1.00 1.00 ATOM 73 CA ALA 71 28.020 47.654 35.271 1.00 1.00 ATOM 74 CA SER 72 29.637 46.918 38.661 1.00 1.00 ATOM 75 CA SER 73 28.961 50.110 40.570 1.00 1.00 ATOM 78 CA LYS 74 20.528 51.478 41.686 1.00 1.00 ATOM 79 CA GLU 75 21.067 54.134 39.027 1.00 1.00 ATOM 80 CA GLY 76 21.201 52.099 35.788 1.00 1.00 ATOM 81 CA ASN 77 19.479 48.720 35.478 1.00 1.00 ATOM 82 CA LEU 78 20.697 47.335 32.140 1.00 1.00 ATOM 83 CA SER 79 19.372 43.822 31.431 1.00 1.00 ATOM 84 CA GLU 80 19.241 41.507 28.379 1.00 1.00 ATOM 85 CA ILE 81 15.776 40.800 26.977 1.00 1.00 ATOM 86 CA THR 82 14.884 38.489 24.112 1.00 1.00 ATOM 87 CA TYR 83 12.065 39.518 21.845 1.00 1.00 ATOM 88 CA GLU 84 10.405 37.076 19.491 1.00 1.00 ATOM 89 CA GLY 85 8.034 37.767 16.612 1.00 1.00 ATOM 90 CA LYS 86 7.213 37.337 12.960 1.00 1.00 ATOM 91 CA ALA 87 7.968 39.415 9.889 1.00 1.00 ATOM 92 CA ASN 88 5.935 39.226 6.686 1.00 1.00 ATOM 93 CA PHE 89 6.095 35.955 4.788 1.00 1.00 ATOM 94 CA GLY 90 6.093 33.925 7.992 1.00 1.00 ATOM 95 CA VAL 91 9.727 34.746 8.756 1.00 1.00 ATOM 96 CA LEU 92 10.696 34.148 12.398 1.00 1.00 ATOM 97 CA ILE 93 12.716 36.850 14.179 1.00 1.00 ATOM 99 CA MET 95 15.840 40.218 18.843 1.00 1.00 ATOM 100 CA GLU 96 18.499 40.383 21.539 1.00 1.00 ATOM 101 CA CYS 97 18.244 43.693 23.382 1.00 1.00 ATOM 102 CA MET 98 20.056 45.267 26.359 1.00 1.00 ATOM 103 CA THR 99 17.850 47.955 27.869 1.00 1.00 ATOM 104 CA ASP 100 17.348 49.931 31.064 1.00 1.00 ATOM 105 CA ASN 101 13.597 50.194 30.486 1.00 1.00 ATOM 106 CA PRO 102 11.963 47.030 29.142 1.00 1.00 ATOM 107 CA THR 103 8.482 48.553 28.713 1.00 1.00 ATOM 108 CA ARG 104 9.995 51.327 26.605 1.00 1.00 ATOM 109 CA THR 105 12.004 48.967 24.426 1.00 1.00 ATOM 110 CA ILE 106 9.067 46.600 24.002 1.00 1.00 ATOM 111 CA ALA 107 6.946 49.372 22.632 1.00 1.00 ATOM 112 CA ASN 108 9.690 50.568 20.277 1.00 1.00 ATOM 113 CA LEU 109 10.105 47.014 19.012 1.00 1.00 ATOM 114 CA LYS 110 6.391 46.396 18.729 1.00 1.00 ATOM 115 CA SER 111 6.072 49.621 16.713 1.00 1.00 ATOM 116 CA TYR 112 8.861 48.563 14.381 1.00 1.00 ATOM 117 CA PHE 113 7.277 45.160 13.784 1.00 1.00 ATOM 118 CA ASN 114 3.815 46.608 13.095 1.00 1.00 ATOM 119 CA LYS 115 5.012 49.402 10.813 1.00 1.00 ATOM 120 CA GLN 117 6.639 46.845 8.563 1.00 1.00 ATOM 121 CA GLY 118 3.754 44.371 8.485 1.00 1.00 ATOM 122 CA ALA 119 5.177 42.090 11.126 1.00 1.00 ATOM 123 CA SER 120 4.009 41.262 14.620 1.00 1.00 ATOM 124 CA ILE 121 5.827 41.107 17.919 1.00 1.00 ATOM 125 CA VAL 122 4.769 37.963 19.751 1.00 1.00 ATOM 126 CA PRO 123 5.179 36.526 23.218 1.00 1.00 ATOM 127 CA ASN 124 8.172 34.855 24.785 1.00 1.00 ATOM 128 CA GLY 125 8.584 31.494 23.143 1.00 1.00 ATOM 129 CA SER 126 6.685 32.037 19.869 1.00 1.00 ATOM 130 CA LEU 127 9.743 31.435 17.749 1.00 1.00 ATOM 131 CA GLU 128 12.653 30.165 19.846 1.00 1.00 ATOM 132 CA PHE 129 11.964 26.515 19.118 1.00 1.00 ATOM 133 CA MET 130 12.980 27.392 15.500 1.00 1.00 ATOM 134 CA PHE 131 16.516 28.359 16.549 1.00 1.00 ATOM 135 CA ASN 132 19.436 27.045 18.618 1.00 1.00 ATOM 136 CA ARG 133 21.790 29.028 20.893 1.00 1.00 ATOM 137 CA LYS 134 25.304 28.957 19.430 1.00 1.00 ATOM 138 CA SER 135 28.679 30.613 19.727 1.00 1.00 ATOM 139 CA VAL 136 29.335 32.903 16.770 1.00 1.00 ATOM 140 CA PHE 137 32.741 34.005 15.489 1.00 1.00 ATOM 141 CA GLU 138 33.453 36.464 12.693 1.00 1.00 ATOM 142 CA CYS 139 36.769 36.527 10.819 1.00 1.00 ATOM 143 CA LEU 140 37.748 39.086 8.172 1.00 1.00 ATOM 144 CA LYS 141 37.753 37.627 4.660 1.00 1.00 ATOM 145 CA ASN 142 40.249 40.225 3.449 1.00 1.00 ATOM 146 CA LYS 148 42.826 38.959 5.894 1.00 1.00 ATOM 147 CA LEU 149 42.527 35.202 5.350 1.00 1.00 ATOM 148 CA SER 150 41.400 32.757 2.684 1.00 1.00 ATOM 149 CA LEU 151 38.392 30.573 2.008 1.00 1.00 ATOM 150 CA GLU 152 40.643 27.519 1.940 1.00 1.00 ATOM 151 CA ASP 153 42.958 28.151 4.899 1.00 1.00 ATOM 152 CA LEU 154 40.115 29.245 7.097 1.00 1.00 ATOM 153 CA GLU 155 37.808 26.401 6.106 1.00 1.00 ATOM 154 CA PHE 156 40.579 24.018 7.171 1.00 1.00 ATOM 155 CA ALA 157 41.327 25.786 10.433 1.00 1.00 ATOM 156 CA LEU 158 37.659 25.863 11.428 1.00 1.00 ATOM 157 CA ILE 159 37.545 22.076 11.006 1.00 1.00 ATOM 158 CA ASP 160 40.896 21.716 12.718 1.00 1.00 ATOM 159 CA TYR 161 39.628 23.498 15.846 1.00 1.00 ATOM 160 CA GLY 162 36.380 21.548 15.721 1.00 1.00 ATOM 161 CA LEU 163 33.547 23.928 14.757 1.00 1.00 ATOM 162 CA GLU 164 29.814 23.323 14.579 1.00 1.00 ATOM 163 CA GLU 165 29.288 25.028 11.189 1.00 1.00 ATOM 164 CA LEU 166 31.171 27.289 8.773 1.00 1.00 ATOM 165 CA GLU 167 30.042 29.646 6.064 1.00 1.00 ATOM 166 CA GLU 168 32.419 31.711 3.889 1.00 1.00 ATOM 167 CA VAL 169 31.633 35.362 3.252 1.00 1.00 ATOM 168 CA GLU 170 32.529 38.087 0.766 1.00 1.00 ATOM 169 CA ASP 171 33.530 40.319 3.639 1.00 1.00 ATOM 170 CA LYS 172 33.398 38.027 6.615 1.00 1.00 ATOM 171 CA ILE 173 33.566 34.342 7.327 1.00 1.00 ATOM 172 CA ILE 174 31.287 32.992 10.008 1.00 1.00 ATOM 173 CA ILE 175 32.059 30.181 12.402 1.00 1.00 ATOM 174 CA ARG 176 29.496 28.669 14.727 1.00 1.00 ATOM 175 CA GLY 177 30.335 26.778 17.873 1.00 1.00 ATOM 176 CA ASP 178 28.738 24.912 20.806 1.00 1.00 ATOM 177 CA TYR 179 27.802 27.859 23.015 1.00 1.00 ATOM 178 CA ASN 180 29.769 26.666 26.031 1.00 1.00 ATOM 179 CA SER 181 32.874 26.374 23.803 1.00 1.00 ATOM 180 CA PHE 182 32.803 29.768 22.222 1.00 1.00 ATOM 181 CA LYS 183 35.874 31.180 23.976 1.00 1.00 ATOM 182 CA LEU 184 37.781 27.949 23.731 1.00 1.00 ATOM 183 CA LEU 185 37.319 27.902 19.984 1.00 1.00 ATOM 184 CA ASN 186 38.151 31.609 19.689 1.00 1.00 ATOM 185 CA GLU 187 41.371 30.989 21.642 1.00 1.00 ATOM 186 CA GLY 188 42.363 28.010 19.508 1.00 1.00 ATOM 187 CA PHE 189 41.714 29.946 16.310 1.00 1.00 ATOM 188 CA GLU 190 43.806 32.930 17.355 1.00 1.00 ATOM 189 CA SER 191 46.535 30.482 18.506 1.00 1.00 ATOM 190 CA LEU 192 46.606 29.353 14.836 1.00 1.00 ATOM 191 CA LYS 193 46.903 32.897 13.506 1.00 1.00 ATOM 192 CA LEU 194 43.270 33.591 12.630 1.00 1.00 ATOM 193 CA PRO 195 42.128 37.184 13.356 1.00 1.00 ATOM 194 CA ILE 196 38.811 37.477 15.223 1.00 1.00 ATOM 195 CA LEU 197 36.450 40.335 14.410 1.00 1.00 ATOM 196 CA LYS 198 33.635 39.234 16.730 1.00 1.00 ATOM 197 CA ALA 199 32.950 36.404 19.188 1.00 1.00 ATOM 198 CA SER 200 29.559 36.245 20.875 1.00 1.00 ATOM 199 CA LEU 201 26.620 34.032 21.743 1.00 1.00 ATOM 200 CA GLN 202 23.823 34.198 19.167 1.00 1.00 ATOM 201 CA ARG 203 20.848 32.117 17.966 1.00 1.00 ATOM 202 CA ILE 204 20.964 30.183 14.677 1.00 1.00 ATOM 203 CA ALA 205 17.896 29.077 12.707 1.00 1.00 ATOM 204 CA THR 206 17.439 25.304 12.567 1.00 1.00 ATOM 205 CA THR 207 15.751 25.752 9.204 1.00 1.00 ATOM 206 CA PRO 208 14.857 28.594 6.851 1.00 1.00 ATOM 207 CA ILE 209 11.745 30.039 5.223 1.00 1.00 ATOM 208 CA GLU 210 12.078 30.532 1.462 1.00 1.00 ATOM 209 CA LEU 211 10.671 33.915 0.451 1.00 1.00 ATOM 210 CA ASN 212 10.372 34.501 -3.299 1.00 1.00 ATOM 211 CA ASP 213 8.003 37.490 -3.370 1.00 1.00 ATOM 213 CA GLU 214 7.613 42.632 -2.272 1.00 1.00 ATOM 214 CA GLN 215 7.621 40.550 0.880 1.00 1.00 ATOM 215 CA MET 216 11.429 40.263 0.876 1.00 1.00 ATOM 216 CA GLU 217 11.789 44.032 1.015 1.00 1.00 ATOM 217 CA LEU 218 9.412 44.375 3.951 1.00 1.00 ATOM 218 CA THR 219 11.290 41.710 5.887 1.00 1.00 ATOM 219 CA GLU 220 14.623 43.448 5.269 1.00 1.00 ATOM 220 CA LYS 221 13.303 46.875 6.213 1.00 1.00 ATOM 221 CA LEU 222 11.911 45.466 9.421 1.00 1.00 ATOM 222 CA LEU 223 15.229 43.876 10.365 1.00 1.00 ATOM 223 CA ASP 224 17.121 47.058 9.432 1.00 1.00 ATOM 224 CA ARG 225 14.687 49.092 11.533 1.00 1.00 ATOM 225 CA ILE 226 15.280 46.853 14.555 1.00 1.00 ATOM 226 CA GLU 227 19.032 47.282 14.099 1.00 1.00 ATOM 227 CA ASP 228 18.593 51.052 14.302 1.00 1.00 ATOM 228 CA ASP 229 17.467 50.834 17.908 1.00 1.00 ATOM 229 CA ASP 230 20.155 51.614 20.446 1.00 1.00 ATOM 230 CA ASP 231 18.609 48.962 22.670 1.00 1.00 ATOM 231 CA VAL 232 19.139 46.266 20.043 1.00 1.00 ATOM 232 CA VAL 233 22.386 44.205 20.034 1.00 1.00 ATOM 233 CA ALA 234 21.463 41.445 17.634 1.00 1.00 ATOM 234 CA LEU 235 18.704 40.608 15.210 1.00 1.00 ATOM 235 CA TYR 236 18.337 37.029 13.863 1.00 1.00 ATOM 236 CA THR 237 15.845 35.770 11.300 1.00 1.00 ATOM 237 CA ASN 238 15.245 32.516 9.468 1.00 1.00 ATOM 238 CA ILE 239 14.371 33.866 6.023 1.00 1.00 ATOM 239 CA GLU 240 15.669 32.462 2.765 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 10:47:29 2002 Date: Mon, 19 Aug 2002 10:47:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0177 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 10:19:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_336226_27514 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177TS007_2 Current information on models submitted in prediction T0177TS007 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_2 PIN_336226_27514 6269-7633-6117 08/19/02 10:19:32 casp5@bialko.llnl.gov T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 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 T0177 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 casp5@bialko.llnl.gov T0177TS007_2 PIN_336226_27514 6269-7633-6117 08/19/02 10:19:32 casp5@bialko.llnl.gov T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1KON_A # Loading PARENT structure: 1kon (chain: A) # Number of residues in PARENT structure: 233 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue G 2 # IMPORTANT NOTE! Not complete main chain atoms for residue R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue W 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # IMPORTANT NOTE! Not complete main chain atoms for residue S 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue F 23 # IMPORTANT NOTE! Not complete main chain atoms for residue P 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue I 30 # IMPORTANT NOTE! Not complete main chain atoms for residue T 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue D 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue N 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue F 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue C 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue N 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue P 123 # IMPORTANT NOTE! Not complete main chain atoms for residue N 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue N 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue S 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue C 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue E 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 179 # IMPORTANT NOTE! Not complete main chain atoms for residue N 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue F 182 # IMPORTANT NOTE! Not complete main chain atoms for residue K 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue L 185 # IMPORTANT NOTE! Not complete main chain atoms for residue N 186 # IMPORTANT NOTE! Not complete main chain atoms for residue E 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue S 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue S 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 202 # IMPORTANT NOTE! Not complete main chain atoms for residue R 203 # IMPORTANT NOTE! Not complete main chain atoms for residue I 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue T 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue E 210 # IMPORTANT NOTE! Not complete main chain atoms for residue L 211 # IMPORTANT NOTE! Not complete main chain atoms for residue N 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 215 # IMPORTANT NOTE! Not complete main chain atoms for residue M 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue D 224 # IMPORTANT NOTE! Not complete main chain atoms for residue R 225 # IMPORTANT NOTE! Not complete main chain atoms for residue I 226 # IMPORTANT NOTE! Not complete main chain atoms for residue E 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue V 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue N 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0177 # Total number of residues in target: 240 # Total number of residues in model: 223 # Total number of atoms in model: 223 # Number of atoms with 1.0 occupancy: 223 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 223 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0177 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1KON_A ATOM 3 CA MET 1 27.642 10.568 9.589 1.00 1.00 ATOM 4 CA GLY 2 27.120 14.075 10.949 1.00 1.00 ATOM 5 CA ARG 3 23.790 15.379 12.212 1.00 1.00 ATOM 6 CA ALA 4 23.020 18.595 14.103 1.00 1.00 ATOM 7 CA PHE 5 21.787 17.043 17.371 1.00 1.00 ATOM 8 CA GLU 6 25.149 15.233 17.449 1.00 1.00 ATOM 9 CA TYR 7 26.973 18.481 18.188 1.00 1.00 ATOM 10 CA ARG 8 24.202 19.821 20.418 1.00 1.00 ATOM 11 CA ARG 9 22.700 16.811 22.242 1.00 1.00 ATOM 12 CA ALA 10 25.139 16.572 25.147 1.00 1.00 ATOM 13 CA ALA 11 25.721 19.734 27.213 1.00 1.00 ATOM 14 CA LYS 12 22.388 21.085 25.936 1.00 1.00 ATOM 15 CA GLU 13 20.935 18.296 28.082 1.00 1.00 ATOM 16 CA LYS 14 23.228 19.554 30.841 1.00 1.00 ATOM 17 CA ARG 15 22.648 23.299 30.456 1.00 1.00 ATOM 18 CA TRP 16 18.993 22.489 31.016 1.00 1.00 ATOM 19 CA ASP 17 19.962 21.396 34.540 1.00 1.00 ATOM 20 CA LYS 18 21.970 24.503 35.397 1.00 1.00 ATOM 21 CA MET 19 19.275 27.009 34.428 1.00 1.00 ATOM 22 CA SER 20 19.984 29.172 37.470 1.00 1.00 ATOM 23 CA LYS 21 23.581 29.692 36.408 1.00 1.00 ATOM 24 CA VAL 22 22.543 30.248 32.776 1.00 1.00 ATOM 25 CA PHE 23 19.770 32.665 33.748 1.00 1.00 ATOM 26 CA PRO 24 22.078 34.688 35.955 1.00 1.00 ATOM 27 CA LYS 25 24.949 34.852 33.447 1.00 1.00 ATOM 28 CA LEU 26 22.525 36.309 30.959 1.00 1.00 ATOM 29 CA ALA 27 21.297 38.780 33.571 1.00 1.00 ATOM 30 CA LYS 28 24.838 40.078 34.111 1.00 1.00 ATOM 31 CA ALA 29 25.426 40.457 30.375 1.00 1.00 ATOM 32 CA ILE 30 22.185 42.425 30.048 1.00 1.00 ATOM 33 CA THR 31 22.794 44.730 33.010 1.00 1.00 ATOM 34 CA LEU 32 26.420 45.395 32.054 1.00 1.00 ATOM 35 CA ALA 33 25.469 46.282 28.489 1.00 1.00 ATOM 36 CA ALA 34 22.693 48.582 29.725 1.00 1.00 ATOM 37 CA LYS 35 25.047 50.196 32.222 1.00 1.00 ATOM 38 CA ASP 36 27.514 50.778 29.355 1.00 1.00 ATOM 44 CA ASP 42 23.910 52.170 27.963 1.00 1.00 ATOM 45 CA THR 43 25.803 50.979 24.853 1.00 1.00 ATOM 46 CA ASN 44 23.407 49.771 22.136 1.00 1.00 ATOM 47 CA ALA 45 24.917 47.042 19.880 1.00 1.00 ATOM 48 CA LYS 46 25.951 45.061 22.977 1.00 1.00 ATOM 49 CA LEU 47 22.513 45.032 24.563 1.00 1.00 ATOM 50 CA ARG 48 20.969 43.636 21.400 1.00 1.00 ATOM 51 CA THR 49 23.016 40.422 21.560 1.00 1.00 ATOM 52 CA ALA 50 22.176 39.836 25.226 1.00 1.00 ATOM 53 CA ILE 51 18.468 40.427 24.620 1.00 1.00 ATOM 54 CA LEU 52 18.398 37.854 21.827 1.00 1.00 ATOM 55 CA ASN 53 20.235 35.336 24.014 1.00 1.00 ATOM 56 CA ALA 54 17.706 35.990 26.778 1.00 1.00 ATOM 57 CA LYS 55 14.772 35.295 24.457 1.00 1.00 ATOM 58 CA ALA 56 16.236 32.092 22.987 1.00 1.00 ATOM 59 CA GLN 57 16.601 30.904 26.612 1.00 1.00 ATOM 60 CA ASN 58 12.977 31.648 27.623 1.00 1.00 ATOM 61 CA MET 59 13.641 34.702 29.763 1.00 1.00 ATOM 62 CA PRO 60 10.413 36.717 29.948 1.00 1.00 ATOM 63 CA LYS 61 10.308 40.264 28.574 1.00 1.00 ATOM 64 CA ASP 62 9.567 42.025 31.828 1.00 1.00 ATOM 65 CA ASN 63 12.586 40.250 33.342 1.00 1.00 ATOM 66 CA ILE 64 14.942 41.438 30.609 1.00 1.00 ATOM 67 CA ASP 65 13.508 44.950 30.646 1.00 1.00 ATOM 68 CA ALA 66 14.046 45.144 34.415 1.00 1.00 ATOM 69 CA ALA 67 17.619 43.931 33.918 1.00 1.00 ATOM 70 CA ILE 68 18.347 46.602 31.293 1.00 1.00 ATOM 71 CA LYS 69 16.367 49.022 33.441 1.00 1.00 ATOM 72 CA ARG 70 19.529 48.848 35.553 1.00 1.00 ATOM 73 CA ALA 71 21.000 51.588 33.378 1.00 1.00 ATOM 80 CA GLY 76 30.000 46.910 40.333 1.00 1.00 ATOM 81 CA ASN 77 32.698 47.319 37.652 1.00 1.00 ATOM 82 CA LEU 78 32.843 44.082 35.628 1.00 1.00 ATOM 83 CA SER 79 34.975 43.717 32.503 1.00 1.00 ATOM 84 CA GLU 80 34.991 41.329 29.528 1.00 1.00 ATOM 85 CA ILE 81 37.935 38.935 29.055 1.00 1.00 ATOM 86 CA THR 82 38.646 36.148 26.579 1.00 1.00 ATOM 87 CA TYR 83 40.881 33.109 27.044 1.00 1.00 ATOM 88 CA GLU 84 42.083 30.350 24.706 1.00 1.00 ATOM 89 CA GLY 85 43.492 26.844 25.111 1.00 1.00 ATOM 90 CA LYS 86 43.431 23.225 23.971 1.00 1.00 ATOM 91 CA ALA 87 41.642 20.164 25.328 1.00 1.00 ATOM 92 CA ASN 88 40.699 16.451 24.858 1.00 1.00 ATOM 93 CA PHE 89 41.652 15.202 21.415 1.00 1.00 ATOM 94 CA GLY 90 43.690 18.339 20.832 1.00 1.00 ATOM 95 CA VAL 91 40.488 20.376 20.493 1.00 1.00 ATOM 96 CA LEU 92 40.644 24.175 20.137 1.00 1.00 ATOM 97 CA ILE 93 38.751 26.243 22.708 1.00 1.00 ATOM 98 CA ILE 94 37.696 29.826 23.374 1.00 1.00 ATOM 99 CA MET 95 36.270 31.159 26.624 1.00 1.00 ATOM 100 CA GLU 96 34.444 34.467 27.023 1.00 1.00 ATOM 101 CA CYS 97 34.075 35.880 30.522 1.00 1.00 ATOM 102 CA MET 98 32.692 38.813 32.468 1.00 1.00 ATOM 103 CA THR 99 34.109 39.609 35.894 1.00 1.00 ATOM 104 CA ASP 100 35.243 42.113 38.478 1.00 1.00 ATOM 105 CA ASN 101 38.213 39.888 39.379 1.00 1.00 ATOM 106 CA PRO 102 40.585 38.970 36.527 1.00 1.00 ATOM 107 CA THR 103 42.966 36.833 38.626 1.00 1.00 ATOM 108 CA ARG 104 40.246 34.729 40.255 1.00 1.00 ATOM 109 CA THR 105 38.711 34.220 36.827 1.00 1.00 ATOM 110 CA ILE 106 41.881 33.056 35.175 1.00 1.00 ATOM 111 CA ALA 107 42.616 30.661 38.048 1.00 1.00 ATOM 112 CA ASN 108 39.205 28.954 37.824 1.00 1.00 ATOM 113 CA LEU 109 39.568 28.671 34.081 1.00 1.00 ATOM 114 CA LYS 110 43.132 27.428 34.519 1.00 1.00 ATOM 115 CA SER 111 41.896 24.898 37.106 1.00 1.00 ATOM 116 CA TYR 112 39.417 23.363 34.643 1.00 1.00 ATOM 117 CA PHE 113 42.096 22.521 32.097 1.00 1.00 ATOM 118 CA ASN 114 44.422 21.053 34.717 1.00 1.00 ATOM 119 CA LYS 115 41.593 18.730 35.786 1.00 1.00 ATOM 120 CA GLN 117 41.062 17.866 32.108 1.00 1.00 ATOM 121 CA GLY 118 44.597 17.855 30.755 1.00 1.00 ATOM 122 CA ALA 119 44.709 21.122 28.847 1.00 1.00 ATOM 123 CA SER 120 46.456 24.485 28.616 1.00 1.00 ATOM 124 CA ILE 121 45.550 28.130 28.032 1.00 1.00 ATOM 125 CA VAL 122 47.608 30.079 25.495 1.00 1.00 ATOM 126 CA PRO 123 48.592 33.389 23.916 1.00 1.00 ATOM 127 CA ASN 124 45.734 35.624 22.869 1.00 1.00 ATOM 128 CA GLY 125 45.842 34.754 19.179 1.00 1.00 ATOM 129 CA SER 126 46.365 30.999 19.324 1.00 1.00 ATOM 130 CA LEU 127 43.210 29.176 18.229 1.00 1.00 ATOM 131 CA GLU 128 41.214 32.396 17.964 1.00 1.00 ATOM 132 CA PHE 129 42.030 32.852 14.263 1.00 1.00 ATOM 133 CA MET 130 40.394 29.450 13.865 1.00 1.00 ATOM 134 CA PHE 131 37.093 31.013 14.974 1.00 1.00 ATOM 135 CA ASN 132 34.768 33.370 13.092 1.00 1.00 ATOM 136 CA ARG 133 32.003 35.253 14.899 1.00 1.00 ATOM 137 CA LYS 134 28.781 34.932 12.921 1.00 1.00 ATOM 138 CA SER 135 25.029 34.791 13.325 1.00 1.00 ATOM 139 CA VAL 136 23.469 31.328 13.000 1.00 1.00 ATOM 140 CA PHE 137 19.753 30.795 12.287 1.00 1.00 ATOM 141 CA GLU 138 18.794 27.154 12.776 1.00 1.00 ATOM 142 CA CYS 139 15.952 25.075 11.420 1.00 1.00 ATOM 143 CA LEU 140 15.425 21.623 12.913 1.00 1.00 ATOM 144 CA LYS 141 13.363 20.789 9.827 1.00 1.00 ATOM 145 CA ASN 142 11.917 22.193 6.611 1.00 1.00 ATOM 146 CA SER 150 12.227 22.503 2.829 1.00 1.00 ATOM 147 CA LEU 151 15.940 22.934 2.065 1.00 1.00 ATOM 148 CA GLU 152 15.892 24.651 -1.321 1.00 1.00 ATOM 149 CA ASP 153 13.110 27.006 -0.277 1.00 1.00 ATOM 150 CA LEU 154 14.811 28.025 2.975 1.00 1.00 ATOM 151 CA GLU 155 18.212 28.317 1.294 1.00 1.00 ATOM 152 CA PHE 156 17.003 30.717 -1.403 1.00 1.00 ATOM 153 CA ALA 157 15.002 32.859 1.008 1.00 1.00 ATOM 154 CA LEU 158 18.110 32.967 3.220 1.00 1.00 ATOM 155 CA ILE 159 20.665 33.873 0.510 1.00 1.00 ATOM 156 CA ASP 160 18.059 36.291 -0.837 1.00 1.00 ATOM 157 CA TYR 161 17.891 37.993 2.558 1.00 1.00 ATOM 158 CA GLY 162 21.681 38.342 2.545 1.00 1.00 ATOM 159 CA LEU 163 22.853 35.138 4.250 1.00 1.00 ATOM 160 CA GLU 164 26.523 34.186 3.849 1.00 1.00 ATOM 161 CA GLU 165 26.018 30.434 3.601 1.00 1.00 ATOM 162 CA LEU 166 23.609 27.584 4.371 1.00 1.00 ATOM 163 CA GLU 167 24.401 24.171 5.861 1.00 1.00 ATOM 165 CA GLU 168 22.980 18.225 7.928 1.00 1.00 ATOM 166 CA VAL 169 22.208 14.492 7.671 1.00 1.00 ATOM 167 CA GLU 170 19.229 14.921 9.987 1.00 1.00 ATOM 168 CA ASP 171 17.625 17.525 7.738 1.00 1.00 ATOM 169 CA LYS 172 18.496 20.301 10.200 1.00 1.00 ATOM 170 CA ILE 173 19.430 23.570 8.506 1.00 1.00 ATOM 171 CA ILE 174 21.884 26.246 9.641 1.00 1.00 ATOM 172 CA ILE 175 21.927 29.722 8.073 1.00 1.00 ATOM 173 CA ARG 176 25.075 31.725 8.635 1.00 1.00 ATOM 174 CA GLY 177 25.041 35.503 8.402 1.00 1.00 ATOM 175 CA ASP 178 27.469 38.278 9.234 1.00 1.00 ATOM 176 CA TYR 179 27.229 38.205 13.050 1.00 1.00 ATOM 177 CA ASN 180 25.581 41.651 12.968 1.00 1.00 ATOM 178 CA SER 181 22.844 40.814 10.446 1.00 1.00 ATOM 179 CA PHE 182 21.512 37.639 12.010 1.00 1.00 ATOM 180 CA LYS 183 18.559 39.853 12.954 1.00 1.00 ATOM 181 CA LEU 184 17.642 41.191 9.507 1.00 1.00 ATOM 182 CA LEU 185 17.945 37.691 8.026 1.00 1.00 ATOM 183 CA ASN 186 15.987 36.044 10.833 1.00 1.00 ATOM 184 CA GLU 187 13.223 38.543 10.375 1.00 1.00 ATOM 185 CA GLY 188 13.223 38.120 6.576 1.00 1.00 ATOM 186 CA PHE 189 12.733 34.395 6.853 1.00 1.00 ATOM 187 CA GLU 190 9.823 34.982 9.299 1.00 1.00 ATOM 188 CA SER 191 8.020 37.653 7.263 1.00 1.00 ATOM 189 CA LEU 192 8.446 35.115 4.500 1.00 1.00 ATOM 190 CA LYS 193 6.595 32.384 6.385 1.00 1.00 ATOM 191 CA LEU 194 9.932 30.675 7.155 1.00 1.00 ATOM 192 CA PRO 195 10.299 30.791 10.933 1.00 1.00 ATOM 193 CA ILE 196 13.623 29.627 12.353 1.00 1.00 ATOM 194 CA LEU 197 13.601 27.439 15.438 1.00 1.00 ATOM 195 CA LYS 198 16.565 29.345 16.880 1.00 1.00 ATOM 196 CA ALA 199 18.722 32.293 15.838 1.00 1.00 ATOM 197 CA SER 200 21.852 33.033 17.881 1.00 1.00 ATOM 198 CA LEU 201 25.348 34.498 17.491 1.00 1.00 ATOM 199 CA GLN 202 28.277 32.154 18.119 1.00 1.00 ATOM 200 CA ARG 203 31.918 31.569 17.193 1.00 1.00 ATOM 201 CA ILE 204 32.228 29.114 14.310 1.00 1.00 ATOM 202 CA ALA 205 35.350 26.967 13.827 1.00 1.00 ATOM 203 CA THR 206 36.840 26.648 10.335 1.00 1.00 ATOM 204 CA THR 207 38.296 23.246 11.223 1.00 1.00 ATOM 205 CA PRO 208 37.244 19.857 12.589 1.00 1.00 ATOM 206 CA ILE 209 38.445 18.074 15.699 1.00 1.00 ATOM 207 CA GLU 210 37.577 14.384 15.317 1.00 1.00 ATOM 208 CA LEU 211 36.519 12.787 18.623 1.00 1.00 ATOM 209 CA ASN 212 36.201 9.236 19.972 1.00 1.00 ATOM 210 CA ASP 213 34.340 7.713 22.943 1.00 1.00 ATOM 211 CA GLU 214 37.500 8.512 24.874 1.00 1.00 ATOM 212 CA GLN 215 38.347 12.118 24.057 1.00 1.00 ATOM 213 CA MET 216 34.720 13.276 23.956 1.00 1.00 ATOM 214 CA GLU 217 33.177 12.712 27.406 1.00 1.00 ATOM 215 CA LEU 218 36.546 14.039 28.591 1.00 1.00 ATOM 216 CA THR 219 36.127 17.218 26.554 1.00 1.00 ATOM 217 CA GLU 220 32.479 17.377 27.619 1.00 1.00 ATOM 218 CA LYS 221 33.698 17.355 31.230 1.00 1.00 ATOM 219 CA LEU 222 35.865 20.342 30.499 1.00 1.00 ATOM 220 CA LEU 223 33.043 22.328 28.954 1.00 1.00 ATOM 221 CA ASP 224 31.049 21.388 32.044 1.00 1.00 ATOM 222 CA ARG 225 33.633 22.618 34.535 1.00 1.00 ATOM 223 CA ILE 226 34.326 25.782 32.550 1.00 1.00 ATOM 224 CA GLU 227 30.581 26.545 32.209 1.00 1.00 ATOM 225 CA ASP 228 30.254 25.818 35.913 1.00 1.00 ATOM 226 CA ASP 229 32.308 28.934 36.658 1.00 1.00 ATOM 227 CA ASP 230 30.116 32.007 37.122 1.00 1.00 ATOM 228 CA ASP 231 32.587 34.150 35.208 1.00 1.00 ATOM 229 CA VAL 232 32.354 31.996 32.102 1.00 1.00 ATOM 230 CA VAL 233 29.884 33.679 29.715 1.00 1.00 ATOM 231 CA ALA 234 30.644 31.616 26.595 1.00 1.00 ATOM 232 CA LEU 235 32.526 28.405 25.658 1.00 1.00 ATOM 233 CA TYR 236 33.181 27.441 21.978 1.00 1.00 ATOM 234 CA THR 237 35.027 24.439 20.474 1.00 1.00 ATOM 235 CA ASN 238 35.763 22.530 17.248 1.00 1.00 ATOM 236 CA ILE 239 35.384 19.036 18.704 1.00 1.00 ATOM 237 CA GLU 240 33.213 17.734 15.894 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 10:46:29 2002 Date: Mon, 19 Aug 2002 10:46:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0177 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 10:18:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_321529_27511 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177TS007_3 Current information on models submitted in prediction T0177TS007 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 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 T0177 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 casp5@bialko.llnl.gov T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1FFK_J # Loading PARENT structure: 1ffk (chain: J) # Number of residues in PARENT structure: 143 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue E 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue W 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # IMPORTANT NOTE! Not complete main chain atoms for residue S 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue F 23 # IMPORTANT NOTE! Not complete main chain atoms for residue P 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue I 30 # IMPORTANT NOTE! Not complete main chain atoms for residue T 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue K 35 # IMPORTANT NOTE! Not complete main chain atoms for residue D 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue N 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue F 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue C 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue N 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue P 123 # IMPORTANT NOTE! Not complete main chain atoms for residue N 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue N 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue S 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue C 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0177 # Total number of residues in target: 240 # Total number of residues in model: 141 # Total number of atoms in model: 141 # Number of atoms with 1.0 occupancy: 141 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 141 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0177 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1FFK_J ATOM 1 CA ALA 10 28.119 103.251 62.573 1.00 1.00 ATOM 2 CA ALA 11 31.672 101.826 62.713 1.00 1.00 ATOM 3 CA LYS 12 34.301 101.635 65.428 1.00 1.00 ATOM 4 CA GLU 13 36.140 104.754 64.315 1.00 1.00 ATOM 5 CA LYS 14 32.946 106.788 64.363 1.00 1.00 ATOM 6 CA ARG 15 32.460 106.071 68.054 1.00 1.00 ATOM 7 CA TRP 16 35.924 106.939 69.308 1.00 1.00 ATOM 8 CA ASP 17 35.135 110.607 69.945 1.00 1.00 ATOM 9 CA LYS 18 34.766 110.937 73.692 1.00 1.00 ATOM 10 CA MET 19 36.983 107.996 74.604 1.00 1.00 ATOM 11 CA SER 20 40.208 109.953 74.800 1.00 1.00 ATOM 12 CA LYS 21 42.173 106.715 74.635 1.00 1.00 ATOM 13 CA VAL 22 40.598 105.530 71.364 1.00 1.00 ATOM 14 CA PHE 23 42.086 102.136 70.711 1.00 1.00 ATOM 15 CA PRO 24 44.515 101.057 73.442 1.00 1.00 ATOM 16 CA LYS 25 44.291 102.245 77.035 1.00 1.00 ATOM 17 CA LEU 26 46.708 104.458 78.935 1.00 1.00 ATOM 18 CA ALA 27 47.621 107.512 76.951 1.00 1.00 ATOM 19 CA LYS 28 51.173 106.398 77.663 1.00 1.00 ATOM 20 CA ALA 29 50.684 103.890 74.883 1.00 1.00 ATOM 21 CA ILE 30 50.558 104.584 71.157 1.00 1.00 ATOM 22 CA THR 31 53.680 106.691 71.049 1.00 1.00 ATOM 23 CA LEU 32 56.218 105.876 68.345 1.00 1.00 ATOM 24 CA ALA 33 57.869 102.530 67.596 1.00 1.00 ATOM 25 CA ALA 34 59.047 100.895 70.790 1.00 1.00 ATOM 26 CA LYS 35 55.323 100.368 71.176 1.00 1.00 ATOM 27 CA ASP 36 55.863 98.135 68.113 1.00 1.00 ATOM 28 CA GLY 37 59.098 96.683 69.444 1.00 1.00 ATOM 29 CA GLY 38 61.130 98.441 66.805 1.00 1.00 ATOM 30 CA SER 39 60.717 99.622 63.237 1.00 1.00 ATOM 31 CA GLU 40 59.542 96.900 60.829 1.00 1.00 ATOM 32 CA PRO 41 61.002 93.440 61.505 1.00 1.00 ATOM 33 CA ASP 42 63.217 94.730 64.296 1.00 1.00 ATOM 34 CA THR 43 64.061 92.008 66.791 1.00 1.00 ATOM 35 CA ASN 44 63.026 89.188 64.484 1.00 1.00 ATOM 36 CA ALA 45 65.868 87.311 66.234 1.00 1.00 ATOM 37 CA LYS 46 65.346 88.895 69.660 1.00 1.00 ATOM 38 CA LEU 47 62.196 89.578 71.724 1.00 1.00 ATOM 39 CA ARG 48 60.049 89.040 68.592 1.00 1.00 ATOM 40 CA THR 49 61.565 85.867 67.098 1.00 1.00 ATOM 41 CA ALA 50 58.229 84.095 67.574 1.00 1.00 ATOM 42 CA ILE 51 56.421 83.430 64.308 1.00 1.00 ATOM 43 CA LEU 52 59.295 84.422 62.043 1.00 1.00 ATOM 44 CA ASN 53 60.967 81.794 59.947 1.00 1.00 ATOM 45 CA ALA 54 64.542 81.100 61.108 1.00 1.00 ATOM 46 CA LYS 55 67.636 82.870 59.809 1.00 1.00 ATOM 47 CA ALA 56 69.931 81.204 57.289 1.00 1.00 ATOM 48 CA GLN 57 70.465 80.464 53.608 1.00 1.00 ATOM 49 CA ASN 58 69.051 77.429 51.867 1.00 1.00 ATOM 50 CA MET 59 69.436 75.759 48.492 1.00 1.00 ATOM 51 CA PRO 60 70.437 77.324 45.203 1.00 1.00 ATOM 52 CA LYS 61 68.676 78.631 42.118 1.00 1.00 ATOM 53 CA ASP 62 69.364 77.656 38.524 1.00 1.00 ATOM 54 CA ASN 63 69.460 80.466 35.982 1.00 1.00 ATOM 55 CA ILE 64 66.017 81.636 34.919 1.00 1.00 ATOM 56 CA ASP 65 66.740 80.937 31.238 1.00 1.00 ATOM 57 CA ALA 66 67.653 77.311 31.803 1.00 1.00 ATOM 58 CA ALA 67 64.463 76.136 33.397 1.00 1.00 ATOM 59 CA ILE 68 61.769 74.509 31.249 1.00 1.00 ATOM 60 CA LYS 69 58.079 75.214 31.852 1.00 1.00 ATOM 61 CA ARG 70 55.662 72.355 31.195 1.00 1.00 ATOM 62 CA ALA 71 52.060 73.042 30.237 1.00 1.00 ATOM 63 CA SER 72 50.100 70.683 32.520 1.00 1.00 ATOM 64 CA SER 73 46.709 68.978 31.968 1.00 1.00 ATOM 65 CA LYS 74 44.928 66.289 33.983 1.00 1.00 ATOM 66 CA GLU 75 42.904 63.489 32.440 1.00 1.00 ATOM 67 CA GLY 76 39.744 64.683 34.211 1.00 1.00 ATOM 68 CA ASN 77 39.257 67.914 32.276 1.00 1.00 ATOM 69 CA LEU 78 39.828 66.171 28.963 1.00 1.00 ATOM 70 CA SER 79 37.641 63.121 29.495 1.00 1.00 ATOM 71 CA GLU 80 35.201 65.411 31.288 1.00 1.00 ATOM 72 CA ASN 88 34.790 67.612 28.206 1.00 1.00 ATOM 73 CA PHE 89 35.346 65.135 25.374 1.00 1.00 ATOM 74 CA GLY 90 31.881 65.447 23.875 1.00 1.00 ATOM 75 CA VAL 91 31.840 69.184 24.558 1.00 1.00 ATOM 76 CA LEU 92 34.955 69.424 22.360 1.00 1.00 ATOM 77 CA ILE 93 32.810 68.951 19.243 1.00 1.00 ATOM 78 CA ILE 94 35.456 70.757 17.168 1.00 1.00 ATOM 79 CA MET 95 38.010 68.028 17.949 1.00 1.00 ATOM 80 CA GLU 96 37.927 64.943 15.702 1.00 1.00 ATOM 81 CA CYS 97 36.162 61.606 16.274 1.00 1.00 ATOM 82 CA MET 98 36.891 57.950 15.508 1.00 1.00 ATOM 83 CA THR 99 35.939 54.320 16.161 1.00 1.00 ATOM 94 CA PRO 102 44.172 64.947 21.279 1.00 1.00 ATOM 95 CA THR 103 46.104 68.232 20.923 1.00 1.00 ATOM 96 CA ARG 104 45.537 71.864 21.932 1.00 1.00 ATOM 97 CA THR 105 43.276 72.421 24.958 1.00 1.00 ATOM 98 CA ILE 106 45.941 73.903 27.260 1.00 1.00 ATOM 99 CA ALA 107 45.597 77.653 27.831 1.00 1.00 ATOM 100 CA ASN 108 49.377 78.233 27.664 1.00 1.00 ATOM 101 CA LEU 109 51.139 76.422 24.819 1.00 1.00 ATOM 102 CA LYS 110 53.869 79.074 25.180 1.00 1.00 ATOM 103 CA SER 111 55.539 76.535 27.449 1.00 1.00 ATOM 104 CA TYR 112 58.547 74.381 26.622 1.00 1.00 ATOM 105 CA PHE 113 56.135 71.472 26.202 1.00 1.00 ATOM 106 CA ASN 114 52.669 70.118 26.933 1.00 1.00 ATOM 107 CA LYS 115 52.253 67.217 29.348 1.00 1.00 ATOM 108 CA THR 116 49.243 65.100 30.284 1.00 1.00 ATOM 109 CA GLN 117 48.886 63.962 33.885 1.00 1.00 ATOM 110 CA GLY 118 46.869 61.067 35.236 1.00 1.00 ATOM 111 CA ALA 119 44.310 62.344 37.756 1.00 1.00 ATOM 112 CA SER 120 40.702 61.338 37.659 1.00 1.00 ATOM 113 CA ILE 121 39.089 58.628 35.565 1.00 1.00 ATOM 114 CA VAL 122 39.132 57.993 31.829 1.00 1.00 ATOM 115 CA PRO 123 35.592 57.093 30.818 1.00 1.00 ATOM 116 CA ASN 124 35.798 57.522 27.053 1.00 1.00 ATOM 117 CA GLU 128 38.132 55.758 24.605 1.00 1.00 ATOM 118 CA PHE 129 40.857 58.328 24.058 1.00 1.00 ATOM 119 CA MET 130 43.810 58.894 21.774 1.00 1.00 ATOM 120 CA PHE 131 46.106 61.619 23.051 1.00 1.00 ATOM 121 CA ASN 132 49.142 63.411 21.666 1.00 1.00 ATOM 122 CA ARG 133 51.403 65.533 23.795 1.00 1.00 ATOM 123 CA LYS 134 55.093 65.849 24.512 1.00 1.00 ATOM 124 CA SER 135 55.063 63.586 27.551 1.00 1.00 ATOM 125 CA VAL 136 52.883 61.442 29.792 1.00 1.00 ATOM 126 CA PHE 137 52.964 60.307 33.401 1.00 1.00 ATOM 127 CA GLU 138 52.865 56.528 33.879 1.00 1.00 ATOM 128 CA CYS 139 49.582 57.157 35.656 1.00 1.00 ATOM 129 CA LEU 140 48.113 58.913 32.622 1.00 1.00 ATOM 130 CA LYS 141 49.182 56.216 30.123 1.00 1.00 ATOM 131 CA ASN 142 47.672 53.448 32.205 1.00 1.00 ATOM 132 CA GLU 143 44.282 55.073 32.636 1.00 1.00 ATOM 133 CA VAL 144 44.159 55.995 28.920 1.00 1.00 ATOM 134 CA GLU 145 45.625 52.758 27.591 1.00 1.00 ATOM 135 CA ASN 146 43.165 50.998 29.893 1.00 1.00 ATOM 136 CA LEU 147 40.519 52.202 27.455 1.00 1.00 ATOM 137 CA LYS 148 42.493 52.779 24.254 1.00 1.00 ATOM 138 CA LEU 149 44.769 55.606 23.058 1.00 1.00 ATOM 139 CA SER 150 48.297 56.724 24.036 1.00 1.00 ATOM 140 CA LEU 151 50.384 58.312 21.186 1.00 1.00 ATOM 141 CA GLU 152 53.332 60.706 21.532 1.00 1.00 ATOM 142 CA LEU 158 54.001 64.106 19.900 1.00 1.00 ATOM 143 CA ILE 159 56.995 65.592 18.050 1.00 1.00 ATOM 144 CA ASP 160 59.169 64.863 21.044 1.00 1.00 ATOM 145 CA TYR 161 59.879 61.200 21.676 1.00 1.00 ATOM 146 CA GLY 162 63.208 62.476 20.414 1.00 1.00 ATOM 147 CA LEU 163 63.362 64.143 23.796 1.00 1.00 ATOM 148 CA GLU 164 62.423 60.799 25.318 1.00 1.00 ATOM 149 CA GLU 165 65.932 60.033 24.107 1.00 1.00 ATOM 150 CA LEU 166 68.631 60.051 26.774 1.00 1.00 ATOM 151 CA GLU 167 68.859 56.285 26.736 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 10:48:39 2002 Date: Mon, 19 Aug 2002 10:48:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0177 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 10:20:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_340564_27518 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177TS007_4 Current information on models submitted in prediction T0177TS007 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_4 PIN_340564_27518 6269-7633-6117 08/19/02 10:20:41 casp5@bialko.llnl.gov T0177TS007_2 PIN_336226_27514 6269-7633-6117 08/19/02 10:19:32 casp5@bialko.llnl.gov T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 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 T0177 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 casp5@bialko.llnl.gov T0177TS007_2 PIN_336226_27514 6269-7633-6117 08/19/02 10:19:32 casp5@bialko.llnl.gov T0177TS007_3 PIN_321529_27511 6269-7633-6117 08/19/02 10:18:40 casp5@bialko.llnl.gov T0177TS007_4 PIN_340564_27518 6269-7633-6117 08/19/02 10:20:41 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1QH4_A # Loading PARENT structure: 1qh4 (chain: A) # Number of residues in PARENT structure: 380 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue D 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue N 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue F 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue C 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue N 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue P 123 # IMPORTANT NOTE! Not complete main chain atoms for residue N 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue N 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue S 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue C 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0177 # Total number of residues in target: 240 # Total number of residues in model: 125 # Total number of atoms in model: 125 # Number of atoms with 1.0 occupancy: 125 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 125 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0177 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1QH4_A ATOM 116 CA ASP 36 4.838 -41.912 61.954 1.00 1.00 ATOM 117 CA GLY 37 3.003 -40.991 65.179 1.00 1.00 ATOM 118 CA GLY 38 1.969 -37.377 65.797 1.00 1.00 ATOM 119 CA SER 39 -1.590 -38.179 66.848 1.00 1.00 ATOM 120 CA GLU 40 -1.239 -37.078 70.449 1.00 1.00 ATOM 121 CA PRO 41 1.193 -34.225 71.010 1.00 1.00 ATOM 122 CA ASP 42 0.346 -33.273 74.661 1.00 1.00 ATOM 123 CA THR 43 -2.692 -30.963 74.450 1.00 1.00 ATOM 124 CA ASN 44 -1.738 -29.648 77.854 1.00 1.00 ATOM 125 CA ALA 45 1.059 -27.977 75.871 1.00 1.00 ATOM 126 CA LYS 46 0.021 -27.856 72.216 1.00 1.00 ATOM 127 CA LEU 47 -2.910 -25.466 71.892 1.00 1.00 ATOM 128 CA ARG 48 -3.264 -25.836 68.144 1.00 1.00 ATOM 129 CA THR 49 -1.667 -27.654 65.191 1.00 1.00 ATOM 130 CA ALA 50 -1.549 -26.515 61.549 1.00 1.00 ATOM 131 CA ILE 51 -0.122 -27.379 58.133 1.00 1.00 ATOM 132 CA LEU 52 0.002 -24.738 55.341 1.00 1.00 ATOM 133 CA ASN 53 1.210 -24.610 51.768 1.00 1.00 ATOM 134 CA ALA 56 0.811 -22.556 48.610 1.00 1.00 ATOM 135 CA GLN 57 -0.057 -23.543 45.052 1.00 1.00 ATOM 136 CA ASN 58 -0.007 -21.830 41.663 1.00 1.00 ATOM 137 CA MET 59 -2.316 -22.664 38.778 1.00 1.00 ATOM 138 CA PRO 60 -0.458 -23.290 35.524 1.00 1.00 ATOM 139 CA LYS 61 -1.359 -20.927 32.715 1.00 1.00 ATOM 140 CA ASP 62 -1.692 -17.794 34.810 1.00 1.00 ATOM 141 CA ASN 63 0.894 -15.287 35.892 1.00 1.00 ATOM 142 CA ILE 64 1.880 -15.029 39.570 1.00 1.00 ATOM 143 CA ASP 65 0.691 -12.246 41.883 1.00 1.00 ATOM 144 CA ALA 66 3.448 -9.673 41.118 1.00 1.00 ATOM 145 CA ALA 67 2.365 -9.668 37.509 1.00 1.00 ATOM 146 CA ILE 68 -1.097 -11.124 37.087 1.00 1.00 ATOM 147 CA LYS 69 -3.755 -9.011 35.457 1.00 1.00 ATOM 148 CA ARG 70 -7.199 -8.369 36.960 1.00 1.00 ATOM 149 CA ALA 71 -8.589 -10.782 34.349 1.00 1.00 ATOM 150 CA SER 72 -6.120 -13.548 35.285 1.00 1.00 ATOM 151 CA SER 73 -6.844 -13.016 38.942 1.00 1.00 ATOM 155 CA LYS 74 -10.838 -17.048 41.617 1.00 1.00 ATOM 156 CA GLU 75 -13.586 -18.511 39.461 1.00 1.00 ATOM 157 CA GLY 76 -11.866 -21.830 38.745 1.00 1.00 ATOM 158 CA ASN 77 -10.867 -22.127 42.432 1.00 1.00 ATOM 159 CA LEU 78 -14.359 -21.455 43.770 1.00 1.00 ATOM 160 CA SER 79 -15.762 -24.011 41.313 1.00 1.00 ATOM 161 CA GLU 80 -13.305 -26.720 42.447 1.00 1.00 ATOM 162 CA ILE 81 -13.820 -25.958 46.122 1.00 1.00 ATOM 163 CA THR 82 -17.609 -26.065 45.665 1.00 1.00 ATOM 164 CA TYR 83 -17.253 -29.684 44.562 1.00 1.00 ATOM 165 CA GLU 84 -15.698 -30.764 47.893 1.00 1.00 ATOM 166 CA GLY 85 -18.057 -32.698 50.110 1.00 1.00 ATOM 167 CA LYS 86 -18.448 -34.374 53.465 1.00 1.00 ATOM 168 CA ALA 87 -15.828 -33.206 55.997 1.00 1.00 ATOM 169 CA ASN 88 -14.623 -30.691 53.417 1.00 1.00 ATOM 170 CA PHE 89 -17.963 -29.188 52.405 1.00 1.00 ATOM 171 CA GLY 90 -17.573 -25.448 52.753 1.00 1.00 ATOM 172 CA VAL 91 -18.351 -21.984 51.552 1.00 1.00 ATOM 173 CA LEU 92 -16.584 -19.126 49.751 1.00 1.00 ATOM 174 CA ILE 93 -16.394 -15.590 51.162 1.00 1.00 ATOM 175 CA ILE 94 -15.146 -12.949 48.737 1.00 1.00 ATOM 176 CA MET 95 -13.440 -9.988 50.413 1.00 1.00 ATOM 177 CA GLU 96 -15.363 -7.421 48.351 1.00 1.00 ATOM 178 CA CYS 97 -18.634 -8.311 49.948 1.00 1.00 ATOM 179 CA MET 98 -17.794 -9.717 53.325 1.00 1.00 ATOM 180 CA THR 99 -20.373 -8.451 55.813 1.00 1.00 ATOM 181 CA ASP 100 -18.788 -6.938 58.931 1.00 1.00 ATOM 182 CA ASN 101 -20.085 -9.780 61.114 1.00 1.00 ATOM 183 CA PRO 102 -18.484 -12.272 58.779 1.00 1.00 ATOM 184 CA THR 103 -15.196 -10.526 58.970 1.00 1.00 ATOM 185 CA ARG 104 -15.331 -10.189 62.748 1.00 1.00 ATOM 186 CA THR 105 -15.954 -13.954 62.987 1.00 1.00 ATOM 187 CA ILE 106 -13.091 -14.646 60.588 1.00 1.00 ATOM 188 CA ALA 107 -11.116 -12.428 62.904 1.00 1.00 ATOM 189 CA ASN 108 -12.476 -14.507 65.789 1.00 1.00 ATOM 190 CA LEU 109 -10.980 -17.571 64.137 1.00 1.00 ATOM 191 CA LYS 110 -7.553 -16.314 62.915 1.00 1.00 ATOM 192 CA SER 111 -8.728 -17.028 59.290 1.00 1.00 ATOM 193 CA TYR 112 -8.774 -13.520 57.884 1.00 1.00 ATOM 194 CA PHE 113 -5.968 -12.119 55.783 1.00 1.00 ATOM 195 CA ASN 114 -5.664 -8.281 55.252 1.00 1.00 ATOM 196 CA LYS 115 -3.987 -6.233 52.414 1.00 1.00 ATOM 197 CA THR 116 -0.306 -6.916 52.794 1.00 1.00 ATOM 198 CA GLN 117 1.740 -4.284 54.491 1.00 1.00 ATOM 199 CA GLY 118 5.198 -5.817 54.002 1.00 1.00 ATOM 200 CA ALA 119 7.383 -3.547 51.853 1.00 1.00 ATOM 201 CA SER 120 8.949 -6.712 50.390 1.00 1.00 ATOM 202 CA ILE 121 5.544 -7.694 48.974 1.00 1.00 ATOM 203 CA VAL 122 4.314 -4.231 48.085 1.00 1.00 ATOM 204 CA PRO 123 7.438 -3.419 46.031 1.00 1.00 ATOM 205 CA ASN 124 6.724 -6.434 43.834 1.00 1.00 ATOM 206 CA GLY 125 3.324 -5.076 42.749 1.00 1.00 ATOM 207 CA SER 126 1.379 -7.995 44.202 1.00 1.00 ATOM 208 CA LEU 127 -1.122 -5.796 46.082 1.00 1.00 ATOM 209 CA GLU 128 -2.625 -4.196 42.968 1.00 1.00 ATOM 210 CA PHE 129 -6.408 -3.913 42.740 1.00 1.00 ATOM 211 CA MET 130 -6.932 -5.015 46.375 1.00 1.00 ATOM 212 CA PHE 131 -9.382 -6.554 47.279 1.00 1.00 ATOM 213 CA ASN 132 -10.584 -7.527 43.796 1.00 1.00 ATOM 214 CA ARG 133 -10.803 -11.345 43.327 1.00 1.00 ATOM 215 CA LYS 134 -9.409 -12.080 46.774 1.00 1.00 ATOM 216 CA SER 135 -11.383 -14.218 49.184 1.00 1.00 ATOM 217 CA VAL 136 -11.440 -17.034 51.676 1.00 1.00 ATOM 218 CA PHE 137 -12.950 -20.475 51.513 1.00 1.00 ATOM 219 CA GLU 138 -13.378 -22.725 54.501 1.00 1.00 ATOM 220 CA CYS 139 -15.203 -25.884 55.399 1.00 1.00 ATOM 221 CA LEU 140 -17.911 -25.750 58.069 1.00 1.00 ATOM 222 CA LYS 141 -15.667 -27.397 60.706 1.00 1.00 ATOM 223 CA ASN 142 -13.155 -24.553 60.585 1.00 1.00 ATOM 224 CA GLU 143 -10.371 -27.120 59.978 1.00 1.00 ATOM 225 CA VAL 144 -9.650 -26.696 56.197 1.00 1.00 ATOM 226 CA GLU 145 -9.016 -23.121 54.872 1.00 1.00 ATOM 227 CA ASN 146 -8.044 -21.765 51.453 1.00 1.00 ATOM 228 CA LEU 147 -6.949 -18.193 50.785 1.00 1.00 ATOM 229 CA LYS 148 -7.391 -17.072 47.187 1.00 1.00 ATOM 230 CA LEU 149 -5.151 -14.588 45.361 1.00 1.00 ATOM 231 CA SER 150 -3.216 -13.320 48.345 1.00 1.00 ATOM 232 CA LEU 151 0.579 -13.956 48.249 1.00 1.00 ATOM 233 CA GLU 152 0.154 -16.854 45.879 1.00 1.00 ATOM 234 CA ASP 153 -2.829 -18.113 43.856 1.00 1.00 ATOM 235 CA LEU 154 -3.852 -20.481 46.637 1.00 1.00 ATOM 236 CA GLU 155 -2.757 -20.909 50.220 1.00 1.00 ATOM 237 CA PHE 156 -4.124 -24.112 51.690 1.00 1.00 ATOM 238 CA ALA 157 -4.410 -24.528 55.426 1.00 1.00 ATOM 239 CA LEU 158 -5.395 -27.430 57.653 1.00 1.00 ATOM 240 CA ILE 159 -5.771 -26.634 61.368 1.00 1.00 ATOM 241 CA ASP 160 -7.124 -28.179 64.570 1.00 1.00 ATOM 242 CA TYR 161 -7.295 -27.234 68.237 1.00 1.00 ATOM 243 CA GLY 162 -5.025 -29.586 70.182 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 10:46:08 2002 Date: Mon, 19 Aug 2002 10:46:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0177 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 10:18:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_316755_27509 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0177TS007_5 Current information on models submitted in prediction T0177TS007 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 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 T0177 MODEL_INDEX PIN CODE DATE E-mail T0177TS007_1 PIN_317989_27508 6269-7633-6117 08/19/02 10:17:45 casp5@bialko.llnl.gov T0177TS007_5 PIN_316755_27509 6269-7633-6117 08/19/02 10:18:03 casp5@bialko.llnl.gov T0177SS007_1 PIN_297124_21209 6269-7633-6117 08/12/02 20:17:03 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 T0177 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1QH4_B # Loading PARENT structure: 1qh4 (chain: B) # Number of residues in PARENT structure: 380 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue N 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue F 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue C 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue N 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue G 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue P 123 # IMPORTANT NOTE! Not complete main chain atoms for residue N 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue N 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue S 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue C 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 161 # IMPORTANT NOTE! Not complete main chain atoms for residue G 162 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0177 # Total number of residues in target: 240 # Total number of residues in model: 125 # Total number of atoms in model: 125 # Number of atoms with 1.0 occupancy: 125 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 125 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0177 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1QH4_B ATOM 116 CA ASP 36 1.368 44.450 41.962 1.00 1.00 ATOM 117 CA GLY 37 2.448 45.146 45.543 1.00 1.00 ATOM 118 CA GLY 38 3.027 42.256 47.955 1.00 1.00 ATOM 119 CA SER 39 6.336 43.544 49.238 1.00 1.00 ATOM 120 CA GLU 40 4.678 44.415 52.478 1.00 1.00 ATOM 121 CA PRO 41 2.408 41.688 53.927 1.00 1.00 ATOM 122 CA ASP 42 2.110 42.586 57.628 1.00 1.00 ATOM 123 CA THR 43 4.910 40.587 59.312 1.00 1.00 ATOM 124 CA ASN 44 2.987 40.803 62.567 1.00 1.00 ATOM 125 CA ALA 45 0.776 38.190 60.886 1.00 1.00 ATOM 126 CA LYS 46 2.752 36.656 58.038 1.00 1.00 ATOM 127 CA LEU 47 5.607 34.578 59.431 1.00 1.00 ATOM 128 CA ARG 48 6.902 33.321 56.084 1.00 1.00 ATOM 129 CA THR 49 6.132 33.432 52.377 1.00 1.00 ATOM 130 CA ALA 50 6.746 30.763 49.757 1.00 1.00 ATOM 131 CA ILE 51 6.132 29.933 46.093 1.00 1.00 ATOM 132 CA LEU 52 6.552 26.382 44.811 1.00 1.00 ATOM 133 CA ASN 53 6.088 24.575 41.550 1.00 1.00 ATOM 134 CA ALA 56 7.097 21.412 39.699 1.00 1.00 ATOM 135 CA GLN 57 8.778 20.802 36.306 1.00 1.00 ATOM 136 CA ASN 58 9.318 17.864 33.973 1.00 1.00 ATOM 137 CA MET 59 12.231 17.500 31.555 1.00 1.00 ATOM 138 CA PRO 60 11.020 16.670 28.048 1.00 1.00 ATOM 139 CA LYS 61 12.176 13.371 26.578 1.00 1.00 ATOM 140 CA ASP 62 12.031 11.414 29.837 1.00 1.00 ATOM 141 CA ASN 63 9.235 9.396 31.422 1.00 1.00 ATOM 142 CA ILE 64 7.604 10.731 34.581 1.00 1.00 ATOM 143 CA ASP 65 8.284 9.157 38.028 1.00 1.00 ATOM 144 CA ALA 66 5.560 6.444 37.896 1.00 1.00 ATOM 145 CA ALA 67 7.311 4.947 34.883 1.00 1.00 ATOM 146 CA ILE 68 10.872 6.269 34.439 1.00 1.00 ATOM 147 CA LYS 69 13.710 3.795 34.390 1.00 1.00 ATOM 148 CA ARG 70 16.714 3.934 36.683 1.00 1.00 ATOM 149 CA ALA 71 18.638 5.140 33.646 1.00 1.00 ATOM 150 CA SER 72 16.219 7.914 32.843 1.00 1.00 ATOM 151 CA SER 73 16.136 9.014 36.497 1.00 1.00 ATOM 155 CA LYS 74 19.646 13.980 38.056 1.00 1.00 ATOM 156 CA GLU 75 22.881 14.520 36.146 1.00 1.00 ATOM 157 CA GLY 76 21.409 17.233 33.929 1.00 1.00 ATOM 158 CA ASN 77 19.737 18.918 36.870 1.00 1.00 ATOM 159 CA LEU 78 22.792 18.901 39.084 1.00 1.00 ATOM 160 CA SER 79 24.915 20.349 36.302 1.00 1.00 ATOM 161 CA GLU 80 22.433 23.181 35.635 1.00 1.00 ATOM 162 CA ILE 81 22.024 23.993 39.333 1.00 1.00 ATOM 163 CA THR 82 25.848 23.958 39.783 1.00 1.00 ATOM 164 CA TYR 83 25.947 26.764 37.200 1.00 1.00 ATOM 165 CA GLU 84 23.682 29.118 39.130 1.00 1.00 ATOM 166 CA GLY 85 25.597 31.995 40.738 1.00 1.00 ATOM 167 CA LYS 86 25.129 35.172 42.715 1.00 1.00 ATOM 168 CA ALA 87 22.163 34.996 45.017 1.00 1.00 ATOM 169 CA ASN 88 21.433 31.516 43.605 1.00 1.00 ATOM 170 CA PHE 89 24.836 29.945 44.193 1.00 1.00 ATOM 171 CA GLY 90 24.241 26.641 45.996 1.00 1.00 ATOM 172 CA VAL 91 25.066 23.008 46.735 1.00 1.00 ATOM 173 CA LEU 92 23.684 19.557 45.983 1.00 1.00 ATOM 174 CA ILE 93 22.978 16.840 48.547 1.00 1.00 ATOM 175 CA ILE 94 22.276 13.408 47.119 1.00 1.00 ATOM 176 CA MET 95 20.055 11.290 49.361 1.00 1.00 ATOM 177 CA GLU 96 22.220 8.196 48.671 1.00 1.00 ATOM 178 CA CYS 97 25.325 9.460 50.338 1.00 1.00 ATOM 179 CA MET 98 23.809 11.882 52.851 1.00 1.00 ATOM 180 CA THR 99 25.524 12.071 56.199 1.00 1.00 ATOM 181 CA ASP 100 23.586 12.134 59.476 1.00 1.00 ATOM 182 CA ASN 101 24.670 15.664 60.214 1.00 1.00 ATOM 183 CA PRO 102 23.634 16.791 56.713 1.00 1.00 ATOM 184 CA THR 103 20.255 15.079 57.120 1.00 1.00 ATOM 185 CA ARG 104 19.665 16.716 60.466 1.00 1.00 ATOM 186 CA THR 105 20.695 20.101 59.053 1.00 1.00 ATOM 187 CA ILE 106 18.277 19.794 56.095 1.00 1.00 ATOM 188 CA ALA 107 15.640 18.733 58.643 1.00 1.00 ATOM 189 CA ASN 108 16.436 21.834 60.710 1.00 1.00 ATOM 190 CA LEU 109 16.105 23.906 57.471 1.00 1.00 ATOM 191 CA LYS 110 12.754 22.239 56.514 1.00 1.00 ATOM 192 CA SER 111 14.409 21.126 53.285 1.00 1.00 ATOM 193 CA TYR 112 14.464 17.312 53.590 1.00 1.00 ATOM 194 CA PHE 113 12.156 14.939 51.817 1.00 1.00 ATOM 195 CA ASN 114 11.626 11.314 52.844 1.00 1.00 ATOM 196 CA LYS 115 10.658 8.143 50.881 1.00 1.00 ATOM 197 CA THR 116 6.932 8.671 50.167 1.00 1.00 ATOM 198 CA GLN 117 4.465 6.979 52.494 1.00 1.00 ATOM 199 CA GLY 118 1.263 8.003 50.693 1.00 1.00 ATOM 200 CA ALA 119 -0.517 4.965 49.282 1.00 1.00 ATOM 201 CA SER 120 -1.750 7.257 46.462 1.00 1.00 ATOM 202 CA ILE 121 1.913 7.759 45.409 1.00 1.00 ATOM 203 CA VAL 122 3.157 4.293 46.214 1.00 1.00 ATOM 204 CA PRO 123 0.445 2.594 44.119 1.00 1.00 ATOM 205 CA ASN 124 1.654 4.477 41.020 1.00 1.00 ATOM 206 CA GLY 125 5.142 2.908 41.106 1.00 1.00 ATOM 207 CA SER 126 6.945 6.236 41.653 1.00 1.00 ATOM 208 CA LEU 127 8.934 5.132 44.710 1.00 1.00 ATOM 209 CA GLU 128 10.965 2.490 42.916 1.00 1.00 ATOM 210 CA PHE 129 14.719 2.222 43.571 1.00 1.00 ATOM 211 CA MET 130 14.620 4.683 46.479 1.00 1.00 ATOM 212 CA PHE 131 16.848 6.620 47.082 1.00 1.00 ATOM 213 CA ASN 132 18.664 6.207 43.742 1.00 1.00 ATOM 214 CA ARG 133 19.059 9.505 41.828 1.00 1.00 ATOM 215 CA LYS 134 17.052 11.531 44.386 1.00 1.00 ATOM 216 CA SER 135 18.549 14.669 45.931 1.00 1.00 ATOM 217 CA VAL 136 18.189 18.118 47.409 1.00 1.00 ATOM 218 CA PHE 137 19.811 21.318 46.113 1.00 1.00 ATOM 219 CA GLU 138 19.596 24.696 47.847 1.00 1.00 ATOM 220 CA CYS 139 21.287 28.077 47.538 1.00 1.00 ATOM 221 CA LEU 140 23.692 29.214 50.240 1.00 1.00 ATOM 222 CA LYS 141 21.159 31.848 51.326 1.00 1.00 ATOM 223 CA ASN 142 18.524 29.153 51.947 1.00 1.00 ATOM 224 CA GLU 143 15.878 30.962 49.988 1.00 1.00 ATOM 225 CA VAL 144 15.755 28.703 46.876 1.00 1.00 ATOM 226 CA GLU 145 15.284 24.919 47.108 1.00 1.00 ATOM 227 CA ASN 146 15.110 22.201 44.466 1.00 1.00 ATOM 228 CA LEU 147 14.060 18.569 44.996 1.00 1.00 ATOM 229 CA LYS 148 15.156 16.151 42.283 1.00 1.00 ATOM 230 CA LEU 149 13.266 12.996 41.261 1.00 1.00 ATOM 231 CA SER 150 10.702 12.927 44.096 1.00 1.00 ATOM 232 CA LEU 151 7.056 13.337 42.910 1.00 1.00 ATOM 233 CA GLU 152 8.152 15.062 39.712 1.00 1.00 ATOM 234 CA ASP 153 11.523 15.498 38.027 1.00 1.00 ATOM 235 CA LEU 154 11.977 18.850 39.742 1.00 1.00 ATOM 236 CA GLU 155 10.190 20.644 42.579 1.00 1.00 ATOM 237 CA PHE 156 11.270 24.258 42.930 1.00 1.00 ATOM 238 CA ALA 157 10.579 26.388 45.961 1.00 1.00 ATOM 239 CA LEU 158 11.364 30.005 46.737 1.00 1.00 ATOM 240 CA ILE 159 10.905 31.149 50.344 1.00 1.00 ATOM 241 CA ASP 160 11.714 33.939 52.810 1.00 1.00 ATOM 242 CA TYR 161 10.859 34.601 56.454 1.00 1.00 ATOM 243 CA GLY 162 8.411 37.494 56.613 1.00 1.00 TER END ################################ # # # END # # # ################################