From mailer@bialko.llnl.gov Wed Jul 17 08:25:08 2002 Date: Wed, 17 Jul 2002 08:25:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 17 07:58:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_699441_12226 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149SS007_1 Current information on models submitted in prediction T0149SS007 MODEL_INDEX PIN CODE DATE E-mail T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0149 MODEL_INDEX PIN CODE DATE E-mail T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0149 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: 318 # Number of residues with nonzero confidence: 318 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0149 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-22206.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-15642//target-align-15642.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 83.2118 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-22206.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc62.22408/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Jul 10 14:54:42 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-15642//target-align-15642.a2m METHOD METHOD guide seq name: seed-seqs-22206.a2m(1), 318 bases, 74932AA2 checksum. METHOD ###end 0 MODEL 1 M C 0.738 N C 0.698 P C 0.591 I C 0.583 A C 0.5 V E 0.703 T E 0.743 L E 0.757 L E 0.699 T E 0.491 G C 0.591 F C 0.572 L C 0.505 G C 0.559 A C 0.528 G C 0.474 K H 0.571 T H 0.599 T H 0.634 L H 0.656 L H 0.689 R H 0.701 H H 0.705 I H 0.69 L H 0.679 N H 0.636 E H 0.549 Q C 0.461 H C 0.583 G C 0.675 Y C 0.635 K C 0.424 I E 0.628 A E 0.674 V E 0.725 I E 0.715 E E 0.639 N E 0.442 E C 0.481 F C 0.5 G C 0.532 E C 0.471 V C 0.476 S C 0.547 V C 0.554 D C 0.618 D H 0.619 Q H 0.625 L H 0.625 I H 0.6 G H 0.571 D H 0.549 R C 0.448 A C 0.622 T C 0.518 Q E 0.416 I E 0.548 K E 0.565 T E 0.552 L E 0.495 T C 0.467 N C 0.623 G C 0.634 C C 0.471 I E 0.444 C E 0.443 C C 0.409 S C 0.488 R C 0.529 S C 0.461 N H 0.528 E H 0.579 L H 0.669 E H 0.713 D H 0.73 A H 0.731 L H 0.764 L H 0.767 D H 0.766 L H 0.751 L H 0.727 D H 0.675 N H 0.659 L H 0.614 D H 0.6 K H 0.545 G C 0.463 N C 0.526 I C 0.6 Q C 0.674 F C 0.621 D C 0.55 R E 0.636 L E 0.717 V E 0.728 I E 0.696 E E 0.566 C C 0.471 T C 0.6 G C 0.667 M C 0.6 A C 0.662 D C 0.752 P C 0.562 G H 0.471 P H 0.523 I H 0.554 I H 0.592 Q H 0.605 T H 0.606 F H 0.548 F H 0.469 S H 0.419 H C 0.495 E C 0.446 V H 0.455 L H 0.416 C C 0.489 Q C 0.481 R C 0.416 Y C 0.368 L E 0.363 L E 0.376 D C 0.45 G E 0.473 V E 0.625 I E 0.678 A E 0.692 L E 0.682 V E 0.564 D C 0.456 A C 0.424 V H 0.485 H H 0.513 A C 0.435 D C 0.459 E H 0.453 Q H 0.443 M H 0.466 N H 0.458 Q H 0.557 F H 0.597 T H 0.652 I H 0.666 A H 0.662 Q H 0.681 S H 0.69 Q H 0.681 V H 0.661 G H 0.63 Y H 0.586 A C 0.461 D C 0.473 R E 0.589 I E 0.663 L E 0.67 L E 0.615 T E 0.404 K C 0.507 T C 0.522 D C 0.506 V C 0.452 A C 0.462 G C 0.483 E H 0.607 A H 0.74 E H 0.766 K H 0.775 L H 0.777 H H 0.783 E H 0.781 R H 0.769 L H 0.767 A H 0.738 R H 0.701 I H 0.609 N C 0.615 A C 0.594 R C 0.581 A C 0.524 P C 0.395 V E 0.543 Y E 0.552 T E 0.521 V E 0.453 T C 0.464 H C 0.561 G C 0.6 D C 0.539 I C 0.535 D C 0.598 L H 0.596 G H 0.624 L H 0.628 L H 0.579 F H 0.524 N C 0.437 T C 0.505 N C 0.573 G C 0.508 F C 0.486 M C 0.489 L H 0.481 E H 0.488 E H 0.48 N H 0.438 V H 0.417 V C 0.441 S C 0.478 T C 0.513 K C 0.539 P C 0.512 R C 0.491 F C 0.515 H C 0.551 F C 0.531 I C 0.499 A C 0.461 D C 0.427 K C 0.447 Q C 0.488 N C 0.55 D C 0.609 I C 0.537 S C 0.463 S E 0.455 I E 0.539 V E 0.574 V E 0.561 E E 0.483 L C 0.455 D C 0.604 Y C 0.605 P C 0.598 V C 0.594 D C 0.647 I H 0.662 S H 0.694 E H 0.707 V H 0.711 S H 0.716 R H 0.72 V H 0.722 M H 0.723 E H 0.706 N H 0.694 L H 0.659 L H 0.66 L H 0.639 E H 0.553 S C 0.469 A C 0.502 D C 0.467 K C 0.415 L H 0.394 L E 0.438 R E 0.458 Y E 0.464 K E 0.458 G E 0.479 M E 0.531 L E 0.562 W E 0.523 I E 0.414 D C 0.573 G C 0.651 E C 0.65 P C 0.571 N C 0.406 R E 0.475 L E 0.571 L E 0.568 F E 0.549 Q E 0.491 G E 0.425 V E 0.387 Q C 0.406 R C 0.423 L C 0.366 Y C 0.381 S C 0.433 A C 0.46 D C 0.524 W C 0.531 D C 0.526 R C 0.53 P C 0.545 W C 0.57 G C 0.612 D C 0.62 E C 0.639 K C 0.625 P C 0.6 H C 0.557 S C 0.435 T E 0.52 M E 0.632 V E 0.672 F E 0.678 I E 0.62 G E 0.46 I C 0.537 Q C 0.63 L C 0.643 P C 0.683 E H 0.717 E H 0.751 E H 0.764 I H 0.77 R H 0.786 A H 0.789 A H 0.767 F H 0.756 A H 0.721 G H 0.693 L H 0.616 R H 0.5 K C 0.753 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:37:39 2002 Date: Tue, 30 Jul 2002 04:37:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:10:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_227573_17133 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS007_1 Current information on models submitted in prediction T0149TS007 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 casp5@bialko.llnl.gov T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1HQC_A # Loading PARENT structure: 1hqc (chain: A) # Number of residues in PARENT structure: 314 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 2 # IMPORTANT NOTE! Not complete main chain atoms for residue P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue H 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue F 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue M 202 # IMPORTANT NOTE! Not complete main chain atoms for residue L 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue E 205 # IMPORTANT NOTE! Not complete main chain atoms for residue N 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue R 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue H 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue N 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue I 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # IMPORTANT NOTE! Not complete main chain atoms for residue R 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue M 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0149 # Total number of residues in target: 318 # 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 T0149 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1HQC_A ATOM 5 CA MET 1 49.963 74.546 177.528 1.00 1.00 ATOM 6 CA ASN 2 47.933 77.705 178.209 1.00 1.00 ATOM 7 CA PRO 3 49.294 80.303 180.653 1.00 1.00 ATOM 8 CA ILE 4 48.496 83.864 181.781 1.00 1.00 ATOM 39 CA ALA 5 65.083 99.006 178.596 1.00 1.00 ATOM 40 CA VAL 6 67.078 95.852 178.804 1.00 1.00 ATOM 41 CA THR 7 65.458 94.152 181.792 1.00 1.00 ATOM 42 CA LEU 8 67.341 91.530 183.806 1.00 1.00 ATOM 43 CA LEU 9 65.356 89.254 186.068 1.00 1.00 ATOM 44 CA THR 10 67.245 87.648 188.953 1.00 1.00 ATOM 45 CA GLY 11 65.539 84.708 190.611 1.00 1.00 ATOM 46 CA PHE 12 66.203 81.991 193.181 1.00 1.00 ATOM 47 CA LEU 13 67.169 78.755 191.499 1.00 1.00 ATOM 48 CA GLY 14 64.216 77.007 189.928 1.00 1.00 ATOM 49 CA ALA 15 61.919 79.968 189.391 1.00 1.00 ATOM 50 CA GLY 16 59.686 80.377 186.333 1.00 1.00 ATOM 51 CA LYS 17 60.757 83.556 184.551 1.00 1.00 ATOM 52 CA THR 18 59.785 82.756 180.967 1.00 1.00 ATOM 53 CA THR 19 56.064 83.134 181.633 1.00 1.00 ATOM 54 CA LEU 20 56.557 86.604 183.018 1.00 1.00 ATOM 55 CA LEU 21 58.513 87.366 179.837 1.00 1.00 ATOM 56 CA ARG 22 55.614 86.268 177.719 1.00 1.00 ATOM 57 CA HIS 23 53.540 88.664 179.781 1.00 1.00 ATOM 58 CA ILE 24 55.979 91.578 179.647 1.00 1.00 ATOM 59 CA LEU 25 55.873 90.797 175.956 1.00 1.00 ATOM 60 CA ASN 26 52.109 90.650 175.702 1.00 1.00 ATOM 61 CA GLU 27 51.753 93.816 177.766 1.00 1.00 ATOM 62 CA GLN 28 54.152 95.705 175.510 1.00 1.00 ATOM 63 CA HIS 29 52.243 94.139 172.636 1.00 1.00 ATOM 64 CA TYR 31 55.241 92.677 170.773 1.00 1.00 ATOM 65 CA LYS 32 56.725 89.298 169.869 1.00 1.00 ATOM 66 CA ILE 33 58.902 87.184 172.099 1.00 1.00 ATOM 67 CA ALA 34 61.834 85.076 170.942 1.00 1.00 ATOM 68 CA VAL 35 62.739 82.776 173.882 1.00 1.00 ATOM 69 CA ILE 36 66.149 81.078 174.201 1.00 1.00 ATOM 70 CA GLU 37 68.554 79.653 176.791 1.00 1.00 ATOM 71 CA ASN 38 72.103 80.674 177.541 1.00 1.00 ATOM 72 CA GLU 39 73.309 77.279 176.371 1.00 1.00 ATOM 73 CA VAL 162 70.957 77.334 173.415 1.00 1.00 ATOM 74 CA ALA 163 73.062 80.174 171.952 1.00 1.00 ATOM 75 CA GLY 164 75.673 77.670 170.600 1.00 1.00 ATOM 76 CA GLU 165 77.731 79.954 168.357 1.00 1.00 ATOM 77 CA ALA 166 77.635 83.664 167.618 1.00 1.00 ATOM 78 CA GLU 167 75.892 82.943 164.357 1.00 1.00 ATOM 79 CA LYS 168 72.825 81.778 166.255 1.00 1.00 ATOM 80 CA LEU 169 72.698 85.049 168.175 1.00 1.00 ATOM 81 CA HIS 170 73.222 87.145 165.061 1.00 1.00 ATOM 82 CA GLU 171 70.748 85.150 163.023 1.00 1.00 ATOM 83 CA ARG 172 68.173 85.931 165.725 1.00 1.00 ATOM 84 CA LEU 173 68.738 89.576 166.362 1.00 1.00 ATOM 85 CA ALA 174 69.186 90.263 162.655 1.00 1.00 ATOM 86 CA ARG 175 66.335 88.204 161.219 1.00 1.00 ATOM 87 CA ILE 176 63.845 86.646 163.639 1.00 1.00 ATOM 88 CA ASN 177 63.501 90.066 165.352 1.00 1.00 ATOM 89 CA ALA 178 61.798 93.211 164.188 1.00 1.00 ATOM 90 CA ARG 179 61.941 96.494 166.097 1.00 1.00 ATOM 91 CA ALA 180 60.345 96.337 169.511 1.00 1.00 ATOM 92 CA PRO 181 60.466 92.594 169.966 1.00 1.00 ATOM 93 CA VAL 182 61.882 90.765 172.960 1.00 1.00 ATOM 94 CA TYR 183 64.802 88.344 172.844 1.00 1.00 ATOM 95 CA THR 184 64.652 86.361 176.060 1.00 1.00 ATOM 96 CA VAL 185 68.062 84.908 176.960 1.00 1.00 ATOM 97 CA THR 186 67.134 82.677 179.915 1.00 1.00 ATOM 98 CA HIS 187 70.042 81.410 182.083 1.00 1.00 ATOM 99 CA GLY 188 71.951 84.322 180.506 1.00 1.00 ATOM 100 CA ASP 189 74.723 83.755 183.017 1.00 1.00 ATOM 101 CA ILE 190 76.010 80.880 180.899 1.00 1.00 ATOM 102 CA ASP 191 76.616 82.189 177.403 1.00 1.00 ATOM 103 CA LEU 192 79.473 81.457 175.032 1.00 1.00 ATOM 104 CA GLY 193 82.468 83.691 175.794 1.00 1.00 ATOM 105 CA LEU 194 82.108 84.971 172.244 1.00 1.00 ATOM 106 CA LEU 195 78.344 84.810 172.067 1.00 1.00 ATOM 107 CA PHE 196 78.405 87.148 175.049 1.00 1.00 ATOM 108 CA ASN 197 80.939 89.480 173.452 1.00 1.00 ATOM 109 CA THR 198 78.429 89.778 170.609 1.00 1.00 ATOM 110 CA ASN 199 75.494 90.539 172.884 1.00 1.00 ATOM 111 CA GLY 200 77.334 93.563 174.280 1.00 1.00 ATOM 112 CA PHE 201 77.305 95.642 171.058 1.00 1.00 ATOM 113 CA MET 202 73.771 94.645 170.097 1.00 1.00 ATOM 114 CA LEU 203 72.413 95.587 173.512 1.00 1.00 ATOM 115 CA GLU 204 74.343 98.844 173.612 1.00 1.00 ATOM 116 CA GLU 205 74.187 100.337 170.120 1.00 1.00 ATOM 117 CA ASN 206 72.134 97.816 168.136 1.00 1.00 ATOM 118 CA VAL 207 74.943 96.829 165.808 1.00 1.00 ATOM 119 CA VAL 208 76.731 93.470 165.809 1.00 1.00 ATOM 120 CA SER 209 79.872 92.591 163.839 1.00 1.00 ATOM 136 CA LYS 211 70.144 95.556 164.357 1.00 1.00 ATOM 137 CA PRO 212 66.612 97.000 164.890 1.00 1.00 ATOM 138 CA ARG 213 65.680 98.257 168.334 1.00 1.00 ATOM 139 CA PHE 214 64.672 95.296 170.475 1.00 1.00 ATOM 140 CA HIS 215 64.614 94.783 174.186 1.00 1.00 ATOM 141 CA PHE 216 66.504 91.916 175.736 1.00 1.00 ATOM 142 CA ILE 217 65.305 90.247 178.905 1.00 1.00 ATOM 143 CA ALA 218 67.953 88.252 180.696 1.00 1.00 ATOM 144 CA ASP 219 67.008 85.770 183.412 1.00 1.00 ATOM 145 CA LYS 220 69.293 84.133 185.976 1.00 1.00 ATOM 146 CA GLN 221 69.272 81.268 188.397 1.00 1.00 ATOM 156 CA ASN 222 75.270 93.666 183.831 1.00 1.00 ATOM 157 CA ASP 223 76.303 97.189 182.950 1.00 1.00 ATOM 158 CA ILE 224 74.243 97.098 179.747 1.00 1.00 ATOM 159 CA SER 225 70.961 96.499 181.516 1.00 1.00 ATOM 160 CA SER 226 68.170 98.948 182.170 1.00 1.00 ATOM 161 CA ILE 227 65.839 97.276 184.610 1.00 1.00 ATOM 162 CA VAL 228 67.180 94.758 187.070 1.00 1.00 ATOM 163 CA VAL 229 64.642 93.111 189.337 1.00 1.00 ATOM 164 CA GLU 230 64.376 90.001 191.521 1.00 1.00 ATOM 165 CA LEU 231 61.649 87.409 192.036 1.00 1.00 ATOM 166 CA ASP 232 60.866 86.003 195.475 1.00 1.00 ATOM 167 CA TYR 233 59.511 82.564 196.082 1.00 1.00 ATOM 168 CA PRO 234 55.753 82.121 195.810 1.00 1.00 ATOM 276 CA VAL 235 74.584 58.797 196.271 1.00 1.00 ATOM 277 CA ASP 236 76.378 61.259 194.002 1.00 1.00 ATOM 278 CA ILE 237 78.095 64.086 195.983 1.00 1.00 ATOM 279 CA SER 238 77.147 66.585 193.341 1.00 1.00 ATOM 280 CA GLU 239 73.591 65.183 193.361 1.00 1.00 ATOM 281 CA VAL 240 73.488 65.397 197.111 1.00 1.00 ATOM 282 CA SER 241 75.075 68.869 197.179 1.00 1.00 ATOM 283 CA ARG 242 73.297 70.187 194.083 1.00 1.00 ATOM 284 CA VAL 243 69.866 68.681 194.428 1.00 1.00 ATOM 285 CA MET 244 68.897 67.884 197.952 1.00 1.00 ATOM 286 CA GLU 245 71.117 69.958 200.217 1.00 1.00 ATOM 287 CA ASN 246 69.678 73.245 198.935 1.00 1.00 ATOM 288 CA LEU 247 66.115 73.059 200.231 1.00 1.00 ATOM 289 CA LEU 248 67.560 71.363 203.295 1.00 1.00 ATOM 290 CA LEU 249 69.786 74.316 204.077 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:41:18 2002 Date: Tue, 30 Jul 2002 04:41:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:13:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_264369_17145 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS007_2 Current information on models submitted in prediction T0149TS007 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_2 PIN_264369_17145 6269-7633-6117 07/30/02 04:13:48 casp5@bialko.llnl.gov T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_2 PIN_264369_17145 6269-7633-6117 07/30/02 04:13:48 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 casp5@bialko.llnl.gov T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1D2N_A # Loading PARENT structure: 1d2n (chain: A) # Number of residues in PARENT structure: 246 # 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 N 2 # IMPORTANT NOTE! Not complete main chain atoms for residue P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue H 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue D 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue C 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue F 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue E 205 # IMPORTANT NOTE! Not complete main chain atoms for residue N 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue T 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue R 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue H 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue N 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue I 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # IMPORTANT NOTE! Not complete main chain atoms for residue R 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue M 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue D 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 258 # IMPORTANT NOTE! Not complete main chain atoms for residue K 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue W 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 177 # Total number of atoms in model: 177 # Number of atoms with 1.0 occupancy: 177 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 177 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1D2N_A ATOM 513 CA MET 1 -18.855 39.086 8.851 1.00 1.00 ATOM 514 CA ASN 2 -16.169 41.752 9.151 1.00 1.00 ATOM 515 CA PRO 3 -13.722 42.433 11.975 1.00 1.00 ATOM 516 CA ILE 4 -15.587 44.156 14.811 1.00 1.00 ATOM 545 CA ALA 5 9.077 35.592 9.694 1.00 1.00 ATOM 546 CA VAL 6 6.364 33.216 10.886 1.00 1.00 ATOM 547 CA THR 7 3.538 33.661 13.362 1.00 1.00 ATOM 548 CA LEU 8 0.909 31.313 14.737 1.00 1.00 ATOM 549 CA LEU 9 -2.475 32.781 15.595 1.00 1.00 ATOM 550 CA THR 10 -3.946 30.426 18.172 1.00 1.00 ATOM 551 CA GLY 11 -6.929 30.321 20.477 1.00 1.00 ATOM 552 CA PHE 12 -10.150 28.478 21.347 1.00 1.00 ATOM 553 CA LEU 13 -12.363 27.168 18.533 1.00 1.00 ATOM 554 CA GLY 14 -14.468 29.906 16.906 1.00 1.00 ATOM 555 CA ALA 15 -12.440 32.770 18.414 1.00 1.00 ATOM 556 CA GLY 16 -11.889 34.394 15.002 1.00 1.00 ATOM 557 CA LYS 17 -8.409 33.195 14.051 1.00 1.00 ATOM 558 CA THR 18 -8.905 32.708 10.299 1.00 1.00 ATOM 559 CA THR 19 -10.602 36.057 9.767 1.00 1.00 ATOM 560 CA LEU 20 -7.886 37.878 11.710 1.00 1.00 ATOM 561 CA LEU 21 -5.126 36.080 9.808 1.00 1.00 ATOM 562 CA ARG 22 -6.782 37.058 6.538 1.00 1.00 ATOM 563 CA HIS 23 -7.085 40.643 7.792 1.00 1.00 ATOM 564 CA ILE 24 -3.397 40.860 8.768 1.00 1.00 ATOM 565 CA LEU 25 -2.479 39.466 5.349 1.00 1.00 ATOM 566 CA ASN 26 -4.815 41.902 3.595 1.00 1.00 ATOM 567 CA GLU 27 -3.389 44.883 5.478 1.00 1.00 ATOM 568 CA GLN 28 0.170 43.929 4.477 1.00 1.00 ATOM 569 CA HIS 29 -0.468 45.051 0.889 1.00 1.00 ATOM 570 CA GLY 30 2.110 42.463 -0.187 1.00 1.00 ATOM 571 CA TYR 31 2.323 41.771 -3.957 1.00 1.00 ATOM 572 CA LYS 32 1.859 38.056 -3.268 1.00 1.00 ATOM 573 CA ILE 33 -0.755 36.819 -0.801 1.00 1.00 ATOM 574 CA ALA 34 -2.065 33.267 -0.743 1.00 1.00 ATOM 575 CA VAL 35 -4.184 31.372 1.748 1.00 1.00 ATOM 576 CA ILE 36 -3.569 27.628 2.037 1.00 1.00 ATOM 577 CA GLU 37 -6.805 25.997 3.200 1.00 1.00 ATOM 578 CA ASN 38 -8.071 22.438 3.858 1.00 1.00 ATOM 579 CA GLU 39 -11.154 23.319 1.763 1.00 1.00 ATOM 580 CA PHE 40 -9.720 22.293 -1.599 1.00 1.00 ATOM 581 CA GLY 41 -7.806 19.259 -0.382 1.00 1.00 ATOM 582 CA GLU 42 -10.606 17.083 0.970 1.00 1.00 ATOM 583 CA VAL 43 -9.760 13.419 0.416 1.00 1.00 ATOM 584 CA SER 44 -6.196 14.334 -0.595 1.00 1.00 ATOM 589 CA LEU 73 -1.300 17.786 0.205 1.00 1.00 ATOM 590 CA GLU 74 2.471 18.180 0.351 1.00 1.00 ATOM 591 CA ASP 75 2.571 18.873 -3.374 1.00 1.00 ATOM 592 CA ALA 76 -0.220 21.447 -3.104 1.00 1.00 ATOM 593 CA LEU 77 1.704 23.181 -0.320 1.00 1.00 ATOM 594 CA LEU 78 5.048 23.096 -2.133 1.00 1.00 ATOM 595 CA ASP 79 3.314 24.751 -5.084 1.00 1.00 ATOM 596 CA LEU 80 2.071 27.650 -2.965 1.00 1.00 ATOM 597 CA LEU 81 5.449 28.258 -1.337 1.00 1.00 ATOM 598 CA ASP 82 7.292 27.886 -4.632 1.00 1.00 ATOM 599 CA ASN 83 5.095 30.620 -6.115 1.00 1.00 ATOM 600 CA LEU 84 5.660 32.770 -3.026 1.00 1.00 ATOM 601 CA ASP 85 9.437 32.417 -3.427 1.00 1.00 ATOM 602 CA LYS 86 9.148 34.070 -6.840 1.00 1.00 ATOM 603 CA GLY 87 7.852 37.255 -5.221 1.00 1.00 ATOM 604 CA GLN 90 10.045 39.831 -3.482 1.00 1.00 ATOM 605 CA PHE 91 7.532 40.229 -0.661 1.00 1.00 ATOM 606 CA ASP 92 5.005 37.506 0.110 1.00 1.00 ATOM 607 CA ARG 93 2.532 36.373 2.745 1.00 1.00 ATOM 608 CA LEU 94 1.230 32.824 2.993 1.00 1.00 ATOM 609 CA VAL 95 -1.515 31.906 5.441 1.00 1.00 ATOM 610 CA ILE 96 -1.482 28.248 6.509 1.00 1.00 ATOM 611 CA GLU 97 -5.017 27.958 7.855 1.00 1.00 ATOM 612 CA CYS 98 -6.413 25.378 10.292 1.00 1.00 ATOM 613 CA THR 99 -3.170 23.448 10.766 1.00 1.00 ATOM 614 CA GLY 100 -4.823 20.609 12.720 1.00 1.00 ATOM 615 CA MET 101 -7.065 19.981 9.694 1.00 1.00 ATOM 616 CA ALA 102 -4.207 20.272 7.195 1.00 1.00 ATOM 617 CA ASP 103 -2.429 17.617 9.293 1.00 1.00 ATOM 618 CA PRO 104 -5.505 15.349 9.441 1.00 1.00 ATOM 629 CA ASP 161 4.404 13.606 5.954 1.00 1.00 ATOM 630 CA VAL 162 2.386 16.846 5.972 1.00 1.00 ATOM 631 CA ALA 163 3.680 17.781 9.422 1.00 1.00 ATOM 632 CA GLY 164 7.245 17.264 8.218 1.00 1.00 ATOM 633 CA GLU 165 6.588 19.364 5.113 1.00 1.00 ATOM 634 CA ALA 166 5.368 22.224 7.305 1.00 1.00 ATOM 635 CA GLU 167 8.292 21.962 9.712 1.00 1.00 ATOM 636 CA LYS 168 10.671 22.396 6.776 1.00 1.00 ATOM 637 CA LEU 169 8.681 25.143 5.038 1.00 1.00 ATOM 638 CA HIS 170 8.388 27.144 8.258 1.00 1.00 ATOM 639 CA GLU 171 12.175 27.339 8.474 1.00 1.00 ATOM 640 CA ARG 172 13.034 27.772 4.799 1.00 1.00 ATOM 641 CA LEU 173 14.164 31.252 3.838 1.00 1.00 ATOM 642 CA ALA 174 13.044 32.518 0.407 1.00 1.00 ATOM 643 CA ARG 175 15.713 33.142 -2.240 1.00 1.00 ATOM 644 CA ILE 176 18.318 35.629 -0.975 1.00 1.00 ATOM 645 CA ASN 177 16.830 39.109 -0.695 1.00 1.00 ATOM 646 CA ALA 178 13.204 38.010 -0.944 1.00 1.00 ATOM 647 CA ARG 179 10.844 38.134 2.001 1.00 1.00 ATOM 648 CA ALA 180 8.083 35.929 3.338 1.00 1.00 ATOM 649 CA PRO 181 5.649 36.183 6.238 1.00 1.00 ATOM 650 CA VAL 182 3.904 32.933 7.147 1.00 1.00 ATOM 651 CA TYR 183 0.741 33.169 9.237 1.00 1.00 ATOM 652 CA THR 184 -0.643 29.938 10.638 1.00 1.00 ATOM 653 CA VAL 185 -3.886 29.427 12.570 1.00 1.00 ATOM 654 CA THR 186 -4.946 26.696 14.982 1.00 1.00 ATOM 655 CA HIS 187 -7.354 25.932 17.812 1.00 1.00 ATOM 656 CA GLY 188 -4.889 23.312 19.101 1.00 1.00 ATOM 657 CA ASP 189 -1.698 25.041 20.262 1.00 1.00 ATOM 658 CA ILE 190 -1.101 22.173 22.693 1.00 1.00 ATOM 659 CA ASP 191 -0.953 19.609 19.894 1.00 1.00 ATOM 660 CA LEU 192 1.366 21.715 17.735 1.00 1.00 ATOM 661 CA GLY 193 3.664 22.140 20.730 1.00 1.00 ATOM 664 CA LEU 194 7.500 20.516 18.034 1.00 1.00 ATOM 665 CA LEU 195 6.009 22.938 15.519 1.00 1.00 ATOM 666 CA PHE 196 5.313 25.695 18.028 1.00 1.00 ATOM 667 CA ASN 197 9.087 26.025 18.263 1.00 1.00 ATOM 668 CA THR 198 9.273 26.449 14.472 1.00 1.00 ATOM 669 CA ASN 199 7.200 29.644 14.503 1.00 1.00 ATOM 670 CA GLY 200 8.983 32.935 15.184 1.00 1.00 ATOM 671 CA LEU 203 6.236 33.852 17.632 1.00 1.00 ATOM 672 CA GLU 204 2.582 33.233 18.437 1.00 1.00 ATOM 673 CA GLU 205 -0.384 35.543 18.935 1.00 1.00 ATOM 674 CA ASN 206 -3.222 34.517 21.235 1.00 1.00 ATOM 675 CA VAL 207 -6.723 35.074 19.816 1.00 1.00 ATOM 676 CA VAL 208 -9.025 34.837 22.880 1.00 1.00 ATOM 677 CA SER 209 -12.768 34.325 23.038 1.00 1.00 ATOM 678 CA THR 210 -14.870 37.260 24.201 1.00 1.00 ATOM 679 CA LYS 211 -14.228 37.066 27.954 1.00 1.00 ATOM 680 CA PRO 212 -16.207 39.764 29.780 1.00 1.00 ATOM 691 CA ARG 213 -23.424 43.681 15.389 1.00 1.00 ATOM 692 CA PHE 214 -26.607 45.647 16.106 1.00 1.00 ATOM 693 CA HIS 215 -28.923 42.664 16.574 1.00 1.00 ATOM 694 CA PHE 216 -31.120 43.171 19.631 1.00 1.00 ATOM 695 CA ILE 217 -33.468 46.012 20.487 1.00 1.00 ATOM 696 CA ALA 218 -32.022 48.715 22.714 1.00 1.00 ATOM 697 CA ASP 219 -34.183 47.343 25.542 1.00 1.00 ATOM 698 CA LYS 220 -33.104 43.728 25.039 1.00 1.00 ATOM 699 CA GLN 221 -29.427 44.623 25.366 1.00 1.00 ATOM 700 CA ASN 222 -30.098 46.392 28.656 1.00 1.00 ATOM 701 CA ASP 223 -31.637 43.160 29.949 1.00 1.00 ATOM 702 CA ILE 224 -28.713 41.083 28.675 1.00 1.00 ATOM 703 CA SER 225 -26.293 43.552 30.253 1.00 1.00 ATOM 704 CA SER 226 -28.175 43.179 33.530 1.00 1.00 ATOM 705 CA ILE 227 -27.743 39.411 33.319 1.00 1.00 ATOM 706 CA VAL 228 -24.079 39.331 32.248 1.00 1.00 ATOM 707 CA VAL 229 -22.358 42.494 33.492 1.00 1.00 ATOM 708 CA GLU 230 -19.772 41.695 36.134 1.00 1.00 ATOM 709 CA LEU 231 -19.965 38.002 35.246 1.00 1.00 ATOM 710 CA ASP 232 -17.364 36.096 33.258 1.00 1.00 ATOM 711 CA TYR 233 -18.042 34.829 29.756 1.00 1.00 ATOM 712 CA PRO 234 -16.071 32.698 27.309 1.00 1.00 ATOM 713 CA VAL 235 -17.502 32.572 23.802 1.00 1.00 ATOM 714 CA ASP 236 -15.856 32.872 20.401 1.00 1.00 ATOM 715 CA ILE 237 -17.012 35.629 18.068 1.00 1.00 ATOM 716 CA SER 238 -17.963 33.083 15.409 1.00 1.00 ATOM 717 CA GLU 239 -19.963 31.076 17.947 1.00 1.00 ATOM 718 CA VAL 240 -21.645 34.278 19.166 1.00 1.00 ATOM 719 CA SER 241 -22.907 34.941 15.632 1.00 1.00 ATOM 720 CA ARG 242 -24.599 31.539 15.628 1.00 1.00 ATOM 721 CA VAL 243 -26.243 31.944 19.040 1.00 1.00 ATOM 722 CA MET 244 -27.590 35.337 17.997 1.00 1.00 ATOM 723 CA GLU 245 -29.200 33.965 14.824 1.00 1.00 ATOM 724 CA ASN 246 -30.729 31.054 16.730 1.00 1.00 ATOM 725 CA LEU 247 -32.211 33.432 19.293 1.00 1.00 ATOM 726 CA LEU 248 -33.716 35.620 16.567 1.00 1.00 ATOM 727 CA LEU 249 -35.852 32.728 15.322 1.00 1.00 ATOM 728 CA ALA 252 -37.873 32.990 18.551 1.00 1.00 ATOM 729 CA ASP 253 -40.915 35.216 19.050 1.00 1.00 ATOM 730 CA LYS 254 -39.949 38.748 20.179 1.00 1.00 ATOM 731 CA LEU 255 -40.901 38.029 23.790 1.00 1.00 ATOM 732 CA LEU 256 -38.635 34.970 23.913 1.00 1.00 ATOM 733 CA ARG 257 -35.507 36.102 22.040 1.00 1.00 ATOM 734 CA TYR 258 -33.556 37.287 25.077 1.00 1.00 ATOM 735 CA LYS 259 -34.515 34.250 27.152 1.00 1.00 ATOM 736 CA GLY 260 -33.324 31.984 24.342 1.00 1.00 ATOM 737 CA MET 261 -30.045 33.874 23.886 1.00 1.00 ATOM 738 CA LEU 262 -29.183 33.706 27.576 1.00 1.00 ATOM 739 CA TRP 263 -30.061 30.007 27.732 1.00 1.00 ATOM 740 CA ILE 264 -27.791 29.256 24.761 1.00 1.00 ATOM 741 CA ASP 265 -24.985 31.355 26.249 1.00 1.00 ATOM 742 CA GLY 266 -25.395 29.365 29.456 1.00 1.00 ATOM 743 CA GLU 267 -24.739 26.137 27.519 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:37:18 2002 Date: Tue, 30 Jul 2002 04:37:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:09:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_225900_17131 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS007_3 Current information on models submitted in prediction T0149TS007 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 casp5@bialko.llnl.gov T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1G7C_A # Loading PARENT structure: 1g7c (chain: A) # Number of residues in PARENT structure: 440 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue K 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue N 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue C 64 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue D 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue S 113 # IMPORTANT NOTE! Not complete main chain atoms for residue H 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue C 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue H 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue L 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue F 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue M 202 # IMPORTANT NOTE! Not complete main chain atoms for residue L 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue E 205 # IMPORTANT NOTE! Not complete main chain atoms for residue N 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue T 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue R 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue H 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue N 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue I 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # IMPORTANT NOTE! Not complete main chain atoms for residue R 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue M 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue S 251 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue D 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 258 # IMPORTANT NOTE! Not complete main chain atoms for residue K 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 212 # Total number of atoms in model: 212 # Number of atoms with 1.0 occupancy: 212 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 212 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1G7C_A ATOM 10 CA THR 7 23.361 28.665 33.920 1.00 1.00 ATOM 11 CA LEU 8 23.508 32.468 33.791 1.00 1.00 ATOM 12 CA LEU 9 25.929 34.288 36.105 1.00 1.00 ATOM 13 CA THR 10 24.929 37.817 37.105 1.00 1.00 ATOM 14 CA GLY 11 26.418 40.540 39.256 1.00 1.00 ATOM 15 CA PHE 12 27.744 44.083 39.490 1.00 1.00 ATOM 16 CA LEU 13 30.759 45.161 37.439 1.00 1.00 ATOM 17 CA GLY 14 33.100 44.985 40.464 1.00 1.00 ATOM 18 CA ALA 15 31.825 41.640 41.756 1.00 1.00 ATOM 19 CA GLY 16 34.486 39.642 39.958 1.00 1.00 ATOM 20 CA LYS 17 31.996 37.378 38.223 1.00 1.00 ATOM 21 CA THR 18 34.063 37.115 35.028 1.00 1.00 ATOM 22 CA THR 19 37.127 35.754 36.857 1.00 1.00 ATOM 23 CA LEU 20 34.795 33.479 38.824 1.00 1.00 ATOM 24 CA LEU 21 33.042 32.100 35.740 1.00 1.00 ATOM 25 CA ARG 22 36.353 31.964 33.868 1.00 1.00 ATOM 26 CA HIS 23 37.931 29.843 36.627 1.00 1.00 ATOM 27 CA ILE 24 35.143 27.249 36.371 1.00 1.00 ATOM 28 CA LEU 25 35.413 27.042 32.577 1.00 1.00 ATOM 29 CA ASN 26 39.214 26.951 32.779 1.00 1.00 ATOM 30 CA GLU 27 39.402 24.062 35.250 1.00 1.00 ATOM 31 CA GLN 28 36.205 22.181 34.339 1.00 1.00 ATOM 32 CA VAL 43 35.891 22.715 30.613 1.00 1.00 ATOM 33 CA SER 44 37.837 23.195 27.415 1.00 1.00 ATOM 34 CA VAL 45 37.403 26.653 25.901 1.00 1.00 ATOM 35 CA ASP 46 40.277 28.392 24.045 1.00 1.00 ATOM 36 CA ASP 47 42.654 25.847 25.569 1.00 1.00 ATOM 37 CA GLN 48 45.416 26.573 23.068 1.00 1.00 ATOM 38 CA LEU 49 45.422 30.172 24.289 1.00 1.00 ATOM 39 CA ILE 50 45.418 28.982 27.907 1.00 1.00 ATOM 40 CA GLY 51 48.347 26.650 27.137 1.00 1.00 ATOM 41 CA ASP 52 50.373 29.470 25.573 1.00 1.00 ATOM 42 CA ARG 53 50.022 31.622 28.702 1.00 1.00 ATOM 43 CA ALA 54 50.632 28.775 31.177 1.00 1.00 ATOM 44 CA THR 55 53.976 28.342 29.417 1.00 1.00 ATOM 45 CA GLN 56 54.746 32.068 29.252 1.00 1.00 ATOM 46 CA ILE 57 54.011 32.456 32.993 1.00 1.00 ATOM 47 CA LYS 58 57.347 30.711 33.615 1.00 1.00 ATOM 48 CA THR 59 58.799 34.231 33.219 1.00 1.00 ATOM 49 CA LEU 60 57.104 35.471 36.423 1.00 1.00 ATOM 50 CA THR 61 59.494 33.453 38.564 1.00 1.00 ATOM 51 CA ASN 62 60.665 29.866 38.223 1.00 1.00 ATOM 52 CA GLY 63 57.441 28.422 36.821 1.00 1.00 ATOM 53 CA CYS 64 54.566 28.800 39.288 1.00 1.00 ATOM 54 CA ASN 71 51.422 30.592 38.066 1.00 1.00 ATOM 55 CA GLU 72 48.019 31.693 39.356 1.00 1.00 ATOM 56 CA LEU 73 45.024 30.649 37.268 1.00 1.00 ATOM 57 CA GLU 74 43.703 34.219 37.615 1.00 1.00 ATOM 58 CA ASP 75 46.857 35.484 35.857 1.00 1.00 ATOM 59 CA ALA 76 46.209 33.185 32.896 1.00 1.00 ATOM 60 CA LEU 77 42.594 34.300 32.832 1.00 1.00 ATOM 61 CA LEU 78 43.729 37.915 32.693 1.00 1.00 ATOM 62 CA ASP 79 45.935 37.225 29.664 1.00 1.00 ATOM 63 CA LEU 80 43.190 35.269 27.906 1.00 1.00 ATOM 64 CA LEU 81 40.832 38.235 28.295 1.00 1.00 ATOM 65 CA ASP 82 43.294 40.608 26.621 1.00 1.00 ATOM 66 CA ASN 83 43.846 38.016 23.875 1.00 1.00 ATOM 67 CA LEU 84 40.092 37.799 23.290 1.00 1.00 ATOM 68 CA ASP 85 39.890 41.607 23.168 1.00 1.00 ATOM 69 CA LYS 86 42.444 41.541 20.320 1.00 1.00 ATOM 70 CA GLY 87 40.036 39.327 18.405 1.00 1.00 ATOM 71 CA PHE 111 42.614 36.610 17.796 1.00 1.00 ATOM 72 CA PHE 112 41.289 33.755 19.956 1.00 1.00 ATOM 73 CA SER 113 39.587 30.896 18.088 1.00 1.00 ATOM 74 CA HIS 114 36.552 29.634 20.043 1.00 1.00 ATOM 75 CA GLU 115 33.086 31.102 19.852 1.00 1.00 ATOM 76 CA VAL 116 31.184 32.668 22.770 1.00 1.00 ATOM 77 CA LEU 117 29.244 29.458 23.539 1.00 1.00 ATOM 78 CA CYS 118 30.919 28.354 26.783 1.00 1.00 ATOM 79 CA GLN 119 30.563 25.064 28.634 1.00 1.00 ATOM 80 CA ARG 120 32.103 23.220 31.582 1.00 1.00 ATOM 81 CA TYR 121 31.458 19.976 33.455 1.00 1.00 ATOM 82 CA LEU 122 30.415 18.925 36.936 1.00 1.00 ATOM 83 CA LEU 123 30.106 15.359 38.215 1.00 1.00 ATOM 84 CA ASP 124 26.457 15.248 37.059 1.00 1.00 ATOM 85 CA GLY 125 26.184 17.867 34.297 1.00 1.00 ATOM 86 CA VAL 126 27.503 19.478 31.170 1.00 1.00 ATOM 87 CA ILE 127 26.851 23.125 31.935 1.00 1.00 ATOM 88 CA ALA 128 26.272 25.754 29.264 1.00 1.00 ATOM 89 CA LEU 129 27.122 28.990 31.088 1.00 1.00 ATOM 90 CA VAL 130 26.609 32.659 30.287 1.00 1.00 ATOM 91 CA ASP 131 28.604 35.324 32.107 1.00 1.00 ATOM 92 CA ALA 132 25.824 37.901 31.644 1.00 1.00 ATOM 93 CA VAL 133 27.033 40.756 29.432 1.00 1.00 ATOM 94 CA HIS 134 26.356 44.266 30.705 1.00 1.00 ATOM 95 CA ALA 135 25.381 45.193 27.165 1.00 1.00 ATOM 96 CA ASP 136 21.887 46.649 26.983 1.00 1.00 ATOM 97 CA GLU 137 20.977 44.560 23.943 1.00 1.00 ATOM 98 CA GLN 138 21.575 41.409 26.005 1.00 1.00 ATOM 134 CA MET 139 18.690 43.620 40.096 1.00 1.00 ATOM 135 CA ASN 140 17.179 43.921 36.635 1.00 1.00 ATOM 136 CA GLN 141 18.935 40.685 35.637 1.00 1.00 ATOM 137 CA PHE 142 17.706 38.951 38.795 1.00 1.00 ATOM 138 CA THR 143 14.164 40.247 38.194 1.00 1.00 ATOM 139 CA ILE 144 14.239 39.073 34.573 1.00 1.00 ATOM 140 CA ALA 145 15.393 35.586 35.647 1.00 1.00 ATOM 141 CA GLN 146 12.674 35.302 38.263 1.00 1.00 ATOM 142 CA SER 147 10.027 36.605 35.858 1.00 1.00 ATOM 143 CA GLN 148 11.132 34.054 33.248 1.00 1.00 ATOM 144 CA VAL 149 10.697 31.255 35.779 1.00 1.00 ATOM 145 CA GLY 150 14.362 30.696 36.672 1.00 1.00 ATOM 146 CA TYR 151 13.542 29.479 40.176 1.00 1.00 ATOM 147 CA ALA 152 16.916 28.033 41.118 1.00 1.00 ATOM 148 CA ASP 153 19.474 30.478 42.448 1.00 1.00 ATOM 149 CA ARG 154 22.940 30.214 43.977 1.00 1.00 ATOM 150 CA ILE 155 24.679 33.112 45.704 1.00 1.00 ATOM 151 CA LEU 156 28.463 33.373 45.868 1.00 1.00 ATOM 152 CA LEU 157 30.018 36.041 48.079 1.00 1.00 ATOM 153 CA THR 158 33.244 36.807 46.263 1.00 1.00 ATOM 154 CA LYS 159 36.389 38.661 47.393 1.00 1.00 ATOM 155 CA THR 160 36.269 37.089 50.840 1.00 1.00 ATOM 156 CA ASP 161 40.030 37.646 50.941 1.00 1.00 ATOM 157 CA VAL 162 39.576 41.435 50.904 1.00 1.00 ATOM 158 CA ALA 163 37.549 41.195 54.116 1.00 1.00 ATOM 159 CA GLY 164 39.952 38.674 55.656 1.00 1.00 ATOM 161 CA GLU 165 35.532 37.427 58.438 1.00 1.00 ATOM 162 CA ALA 166 32.482 35.355 59.472 1.00 1.00 ATOM 163 CA GLU 167 30.399 38.338 60.655 1.00 1.00 ATOM 164 CA LYS 168 30.970 40.183 57.380 1.00 1.00 ATOM 165 CA LEU 169 29.831 37.057 55.507 1.00 1.00 ATOM 166 CA HIS 170 26.748 36.733 57.717 1.00 1.00 ATOM 167 CA GLU 171 25.721 40.372 57.274 1.00 1.00 ATOM 168 CA ARG 172 26.180 40.042 53.539 1.00 1.00 ATOM 169 CA LEU 173 24.016 36.883 53.532 1.00 1.00 ATOM 170 CA ALA 174 21.416 38.806 55.527 1.00 1.00 ATOM 171 CA ARG 175 21.271 41.824 53.205 1.00 1.00 ATOM 172 CA ILE 176 21.469 39.700 50.083 1.00 1.00 ATOM 173 CA ASN 177 18.578 37.560 51.293 1.00 1.00 ATOM 174 CA ALA 178 16.522 40.753 51.688 1.00 1.00 ATOM 175 CA ARG 179 17.663 41.842 48.202 1.00 1.00 ATOM 176 CA ALA 180 16.641 38.547 46.531 1.00 1.00 ATOM 177 CA PRO 181 13.492 38.198 48.623 1.00 1.00 ATOM 178 CA VAL 182 12.187 41.505 47.258 1.00 1.00 ATOM 179 CA TYR 183 12.858 40.091 43.805 1.00 1.00 ATOM 180 CA THR 184 10.893 36.962 44.714 1.00 1.00 ATOM 181 CA VAL 185 13.341 34.168 45.552 1.00 1.00 ATOM 182 CA THR 186 12.925 32.285 48.835 1.00 1.00 ATOM 183 CA HIS 187 16.365 32.625 50.488 1.00 1.00 ATOM 184 CA GLY 188 15.937 29.277 52.245 1.00 1.00 ATOM 185 CA ASP 189 16.317 27.505 48.880 1.00 1.00 ATOM 186 CA ILE 190 19.474 29.439 47.988 1.00 1.00 ATOM 187 CA ASP 191 22.992 28.204 48.802 1.00 1.00 ATOM 188 CA LEU 192 25.306 31.028 49.955 1.00 1.00 ATOM 189 CA GLY 193 28.947 30.229 49.159 1.00 1.00 ATOM 190 CA LEU 194 31.781 32.432 50.450 1.00 1.00 ATOM 191 CA LEU 195 34.463 32.345 47.747 1.00 1.00 ATOM 192 CA PHE 196 37.576 33.880 46.254 1.00 1.00 ATOM 193 CA ASN 197 37.419 33.710 42.468 1.00 1.00 ATOM 194 CA THR 198 41.013 34.873 42.333 1.00 1.00 ATOM 195 CA ASN 199 42.493 32.553 44.949 1.00 1.00 ATOM 196 CA GLY 200 40.173 29.630 44.234 1.00 1.00 ATOM 197 CA PHE 201 38.696 29.283 47.724 1.00 1.00 ATOM 198 CA MET 202 35.546 27.131 47.694 1.00 1.00 ATOM 199 CA LEU 203 35.554 27.200 43.915 1.00 1.00 ATOM 200 CA GLU 204 36.395 23.573 43.170 1.00 1.00 ATOM 201 CA GLU 205 38.179 22.683 46.435 1.00 1.00 ATOM 202 CA ASN 206 37.169 23.763 49.944 1.00 1.00 ATOM 203 CA VAL 207 38.893 26.749 51.545 1.00 1.00 ATOM 204 CA VAL 208 41.371 26.543 54.434 1.00 1.00 ATOM 205 CA SER 209 41.055 30.254 55.234 1.00 1.00 ATOM 206 CA THR 210 37.807 30.021 57.228 1.00 1.00 ATOM 207 CA LYS 211 37.645 27.571 60.172 1.00 1.00 ATOM 208 CA PRO 212 34.171 28.927 60.964 1.00 1.00 ATOM 209 CA ARG 213 32.790 27.874 57.558 1.00 1.00 ATOM 210 CA PHE 214 30.696 24.704 57.856 1.00 1.00 ATOM 211 CA HIS 215 29.501 24.773 54.261 1.00 1.00 ATOM 212 CA PHE 216 26.392 25.994 52.455 1.00 1.00 ATOM 213 CA ILE 217 22.878 24.573 52.556 1.00 1.00 ATOM 214 CA ALA 218 19.517 24.831 50.834 1.00 1.00 ATOM 215 CA ASP 219 16.058 23.433 51.456 1.00 1.00 ATOM 216 CA LYS 220 14.689 21.403 48.550 1.00 1.00 ATOM 217 CA GLN 221 11.384 19.499 48.328 1.00 1.00 ATOM 218 CA ASN 222 13.053 16.227 49.293 1.00 1.00 ATOM 219 CA ASP 223 15.156 17.610 52.142 1.00 1.00 ATOM 220 CA ILE 224 18.213 19.720 52.944 1.00 1.00 ATOM 221 CA SER 225 21.204 19.658 50.608 1.00 1.00 ATOM 222 CA SER 226 24.647 20.775 51.826 1.00 1.00 ATOM 223 CA ILE 227 28.106 21.261 50.298 1.00 1.00 ATOM 224 CA VAL 228 31.271 23.375 50.640 1.00 1.00 ATOM 225 CA VAL 229 32.136 24.636 47.162 1.00 1.00 ATOM 226 CA GLU 230 30.575 26.539 44.317 1.00 1.00 ATOM 227 CA LEU 231 31.078 23.484 42.120 1.00 1.00 ATOM 228 CA ASP 232 29.099 21.289 44.519 1.00 1.00 ATOM 229 CA TYR 233 26.377 23.969 44.553 1.00 1.00 ATOM 230 CA PRO 234 26.205 23.848 40.764 1.00 1.00 ATOM 231 CA VAL 235 26.256 20.058 40.735 1.00 1.00 ATOM 232 CA ASP 236 23.373 20.141 43.207 1.00 1.00 ATOM 233 CA ILE 237 21.174 22.079 40.772 1.00 1.00 ATOM 234 CA SER 238 17.943 20.131 40.337 1.00 1.00 ATOM 235 CA GLU 239 17.257 18.310 37.088 1.00 1.00 ATOM 236 CA VAL 240 14.584 20.203 35.123 1.00 1.00 ATOM 237 CA SER 241 12.038 18.353 32.942 1.00 1.00 ATOM 238 CA ARG 242 12.513 18.761 29.174 1.00 1.00 ATOM 239 CA VAL 243 9.778 19.222 26.463 1.00 1.00 ATOM 240 CA MET 244 10.554 15.912 24.685 1.00 1.00 ATOM 241 CA GLU 245 7.052 14.828 25.580 1.00 1.00 ATOM 242 CA ASN 246 5.084 17.949 24.494 1.00 1.00 ATOM 243 CA LEU 247 3.721 18.605 20.969 1.00 1.00 ATOM 244 CA LEU 248 6.237 19.822 18.346 1.00 1.00 ATOM 245 CA LEU 249 7.118 23.538 18.109 1.00 1.00 ATOM 246 CA GLU 250 9.920 24.774 15.837 1.00 1.00 ATOM 247 CA SER 251 10.131 28.551 15.182 1.00 1.00 ATOM 248 CA ALA 252 11.676 29.315 11.787 1.00 1.00 ATOM 249 CA ASP 253 14.816 31.441 11.589 1.00 1.00 ATOM 250 CA LYS 254 15.370 31.063 7.848 1.00 1.00 ATOM 251 CA LEU 255 13.937 29.465 4.714 1.00 1.00 ATOM 252 CA LEU 256 16.176 28.391 1.823 1.00 1.00 ATOM 253 CA ARG 257 15.512 27.300 -1.743 1.00 1.00 ATOM 254 CA TYR 258 18.132 24.645 -2.575 1.00 1.00 ATOM 255 CA LYS 259 18.388 23.227 -6.090 1.00 1.00 ATOM 256 CA GLY 260 17.504 19.571 -6.520 1.00 1.00 ATOM 257 CA MET 261 16.131 19.451 -2.970 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:45:39 2002 Date: Tue, 30 Jul 2002 04:45:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:18:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_313129_17160 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS007_4 Current information on models submitted in prediction T0149TS007 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_4 PIN_313129_17160 6269-7633-6117 07/30/02 04:18:12 casp5@bialko.llnl.gov T0149TS007_2 PIN_264369_17145 6269-7633-6117 07/30/02 04:13:48 casp5@bialko.llnl.gov T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_2 PIN_264369_17145 6269-7633-6117 07/30/02 04:13:48 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 casp5@bialko.llnl.gov T0149TS007_4 PIN_313129_17160 6269-7633-6117 07/30/02 04:18:12 casp5@bialko.llnl.gov T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1IJE_A # Loading PARENT structure: 1ije (chain: A) # Number of residues in PARENT structure: 438 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue K 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue N 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue C 64 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue D 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue S 113 # IMPORTANT NOTE! Not complete main chain atoms for residue H 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue C 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue H 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue L 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue F 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue M 202 # IMPORTANT NOTE! Not complete main chain atoms for residue L 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue E 205 # IMPORTANT NOTE! Not complete main chain atoms for residue N 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue T 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue R 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue H 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue N 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue I 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # IMPORTANT NOTE! Not complete main chain atoms for residue R 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue M 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue S 251 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue D 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 258 # IMPORTANT NOTE! Not complete main chain atoms for residue K 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 212 # Total number of atoms in model: 212 # Number of atoms with 1.0 occupancy: 212 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 212 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1IJE_A ATOM 10 CA THR 7 23.434 28.611 33.796 1.00 1.00 ATOM 11 CA LEU 8 23.549 32.409 33.748 1.00 1.00 ATOM 12 CA LEU 9 26.001 34.224 36.012 1.00 1.00 ATOM 13 CA THR 10 24.960 37.715 37.066 1.00 1.00 ATOM 14 CA GLY 11 26.461 40.461 39.200 1.00 1.00 ATOM 15 CA PHE 12 27.853 43.997 39.418 1.00 1.00 ATOM 16 CA LEU 13 30.800 44.999 37.237 1.00 1.00 ATOM 17 CA GLY 14 33.121 44.909 40.291 1.00 1.00 ATOM 18 CA ALA 15 31.809 41.607 41.661 1.00 1.00 ATOM 19 CA GLY 16 34.556 39.670 39.886 1.00 1.00 ATOM 20 CA LYS 17 32.075 37.334 38.201 1.00 1.00 ATOM 21 CA THR 18 34.097 37.025 34.982 1.00 1.00 ATOM 22 CA THR 19 37.184 35.684 36.780 1.00 1.00 ATOM 23 CA LEU 20 34.855 33.367 38.712 1.00 1.00 ATOM 24 CA LEU 21 33.058 32.063 35.632 1.00 1.00 ATOM 25 CA ARG 22 36.418 31.942 33.839 1.00 1.00 ATOM 26 CA HIS 23 37.975 29.785 36.565 1.00 1.00 ATOM 27 CA ILE 24 35.249 27.150 36.211 1.00 1.00 ATOM 28 CA LEU 25 35.500 27.003 32.424 1.00 1.00 ATOM 29 CA ASN 26 39.281 26.918 32.683 1.00 1.00 ATOM 30 CA GLU 27 39.462 24.051 35.198 1.00 1.00 ATOM 31 CA GLN 28 36.300 22.147 34.212 1.00 1.00 ATOM 32 CA VAL 43 35.954 22.778 30.497 1.00 1.00 ATOM 33 CA SER 44 37.870 23.123 27.246 1.00 1.00 ATOM 34 CA VAL 45 37.454 26.629 25.821 1.00 1.00 ATOM 35 CA ASP 46 40.279 28.444 23.984 1.00 1.00 ATOM 36 CA ASP 47 42.656 25.851 25.453 1.00 1.00 ATOM 37 CA GLN 48 45.402 26.476 22.925 1.00 1.00 ATOM 38 CA LEU 49 45.483 30.080 24.166 1.00 1.00 ATOM 39 CA ILE 50 45.504 28.866 27.769 1.00 1.00 ATOM 40 CA GLY 51 48.422 26.511 27.004 1.00 1.00 ATOM 41 CA ASP 52 50.326 29.364 25.389 1.00 1.00 ATOM 42 CA ARG 53 50.072 31.488 28.550 1.00 1.00 ATOM 43 CA ALA 54 50.717 28.709 31.082 1.00 1.00 ATOM 44 CA THR 55 54.027 28.268 29.278 1.00 1.00 ATOM 45 CA GLN 56 54.785 32.001 29.109 1.00 1.00 ATOM 46 CA ILE 57 54.119 32.219 32.862 1.00 1.00 ATOM 47 CA LYS 58 57.504 30.592 33.476 1.00 1.00 ATOM 48 CA THR 59 58.874 34.149 33.143 1.00 1.00 ATOM 49 CA LEU 60 57.150 35.395 36.307 1.00 1.00 ATOM 50 CA THR 61 59.534 33.406 38.460 1.00 1.00 ATOM 51 CA ASN 62 60.628 29.793 38.147 1.00 1.00 ATOM 52 CA GLY 63 57.442 28.368 36.651 1.00 1.00 ATOM 53 CA CYS 64 54.613 28.843 39.159 1.00 1.00 ATOM 54 CA ASN 71 51.419 30.562 37.988 1.00 1.00 ATOM 55 CA GLU 72 47.999 31.642 39.266 1.00 1.00 ATOM 56 CA LEU 73 45.046 30.575 37.125 1.00 1.00 ATOM 57 CA GLU 74 43.790 34.166 37.412 1.00 1.00 ATOM 58 CA ASP 75 46.968 35.408 35.710 1.00 1.00 ATOM 59 CA ALA 76 46.287 33.071 32.790 1.00 1.00 ATOM 60 CA LEU 77 42.660 34.201 32.707 1.00 1.00 ATOM 61 CA LEU 78 43.743 37.835 32.537 1.00 1.00 ATOM 62 CA ASP 79 45.961 37.180 29.512 1.00 1.00 ATOM 63 CA LEU 80 43.241 35.109 27.849 1.00 1.00 ATOM 64 CA LEU 81 40.937 38.134 28.167 1.00 1.00 ATOM 65 CA ASP 82 43.333 40.552 26.458 1.00 1.00 ATOM 66 CA ASN 83 43.926 37.933 23.769 1.00 1.00 ATOM 67 CA LEU 84 40.162 37.779 23.159 1.00 1.00 ATOM 68 CA ASP 85 39.928 41.578 23.059 1.00 1.00 ATOM 69 CA LYS 86 42.453 41.486 20.205 1.00 1.00 ATOM 70 CA GLY 87 40.025 39.266 18.316 1.00 1.00 ATOM 71 CA PHE 111 42.591 36.527 17.755 1.00 1.00 ATOM 72 CA PHE 112 41.291 33.660 19.880 1.00 1.00 ATOM 73 CA SER 113 39.567 30.825 17.984 1.00 1.00 ATOM 74 CA HIS 114 36.548 29.569 19.954 1.00 1.00 ATOM 75 CA GLU 115 33.114 31.115 19.755 1.00 1.00 ATOM 76 CA VAL 116 31.205 32.619 22.694 1.00 1.00 ATOM 77 CA LEU 117 29.294 29.380 23.434 1.00 1.00 ATOM 78 CA CYS 118 30.923 28.304 26.708 1.00 1.00 ATOM 79 CA GLN 119 30.621 24.999 28.533 1.00 1.00 ATOM 80 CA ARG 120 32.136 23.113 31.454 1.00 1.00 ATOM 81 CA TYR 121 31.498 19.875 33.336 1.00 1.00 ATOM 82 CA LEU 122 30.522 18.864 36.848 1.00 1.00 ATOM 83 CA LEU 123 30.158 15.286 38.083 1.00 1.00 ATOM 84 CA ASP 124 26.486 15.255 36.955 1.00 1.00 ATOM 85 CA GLY 125 26.204 17.909 34.252 1.00 1.00 ATOM 86 CA VAL 126 27.559 19.427 31.104 1.00 1.00 ATOM 87 CA ILE 127 26.860 23.073 31.828 1.00 1.00 ATOM 88 CA ALA 128 26.314 25.677 29.115 1.00 1.00 ATOM 89 CA LEU 129 27.141 28.878 30.993 1.00 1.00 ATOM 90 CA VAL 130 26.599 32.554 30.253 1.00 1.00 ATOM 91 CA ASP 131 28.610 35.245 32.010 1.00 1.00 ATOM 92 CA ALA 132 25.804 37.815 31.559 1.00 1.00 ATOM 93 CA VAL 133 27.009 40.706 29.355 1.00 1.00 ATOM 94 CA HIS 134 26.333 44.219 30.624 1.00 1.00 ATOM 95 CA ALA 135 25.353 45.131 27.071 1.00 1.00 ATOM 96 CA ASP 136 21.874 46.597 26.886 1.00 1.00 ATOM 97 CA GLU 137 20.950 44.525 23.818 1.00 1.00 ATOM 98 CA GLN 138 21.591 41.362 25.841 1.00 1.00 ATOM 134 CA MET 139 18.724 43.642 40.106 1.00 1.00 ATOM 135 CA ASN 140 17.252 43.796 36.603 1.00 1.00 ATOM 136 CA GLN 141 18.962 40.536 35.549 1.00 1.00 ATOM 137 CA PHE 142 17.736 38.872 38.745 1.00 1.00 ATOM 138 CA THR 143 14.222 40.201 38.029 1.00 1.00 ATOM 139 CA ILE 144 14.230 39.015 34.410 1.00 1.00 ATOM 140 CA ALA 145 15.467 35.589 35.556 1.00 1.00 ATOM 141 CA GLN 146 12.727 35.332 38.173 1.00 1.00 ATOM 142 CA SER 147 10.063 36.569 35.735 1.00 1.00 ATOM 143 CA GLN 148 11.149 34.057 33.063 1.00 1.00 ATOM 144 CA VAL 149 10.763 31.242 35.574 1.00 1.00 ATOM 145 CA GLY 150 14.389 30.639 36.532 1.00 1.00 ATOM 146 CA TYR 151 13.596 29.371 40.011 1.00 1.00 ATOM 147 CA ALA 152 16.949 27.960 41.033 1.00 1.00 ATOM 148 CA ASP 153 19.454 30.438 42.374 1.00 1.00 ATOM 149 CA ARG 154 22.923 30.221 43.905 1.00 1.00 ATOM 150 CA ILE 155 24.706 33.076 45.629 1.00 1.00 ATOM 151 CA LEU 156 28.486 33.382 45.801 1.00 1.00 ATOM 152 CA LEU 157 30.015 36.090 48.018 1.00 1.00 ATOM 153 CA THR 158 33.304 36.779 46.243 1.00 1.00 ATOM 154 CA LYS 159 36.494 38.595 47.301 1.00 1.00 ATOM 155 CA THR 160 36.323 37.036 50.777 1.00 1.00 ATOM 156 CA ASP 161 40.057 37.552 50.791 1.00 1.00 ATOM 157 CA VAL 162 39.566 41.326 50.695 1.00 1.00 ATOM 158 CA ALA 163 37.672 41.221 53.999 1.00 1.00 ATOM 159 CA GLY 164 39.961 38.616 55.604 1.00 1.00 ATOM 161 CA GLU 165 35.626 37.473 58.408 1.00 1.00 ATOM 162 CA ALA 166 32.567 35.418 59.447 1.00 1.00 ATOM 163 CA GLU 167 30.446 38.385 60.623 1.00 1.00 ATOM 164 CA LYS 168 31.072 40.183 57.335 1.00 1.00 ATOM 165 CA LEU 169 29.906 37.119 55.404 1.00 1.00 ATOM 166 CA HIS 170 26.847 36.776 57.659 1.00 1.00 ATOM 167 CA GLU 171 25.784 40.391 57.167 1.00 1.00 ATOM 168 CA ARG 172 26.230 40.038 53.428 1.00 1.00 ATOM 169 CA LEU 173 24.033 36.910 53.468 1.00 1.00 ATOM 170 CA ALA 174 21.396 38.825 55.406 1.00 1.00 ATOM 171 CA ARG 175 21.271 41.854 53.111 1.00 1.00 ATOM 172 CA ILE 176 21.561 39.752 49.939 1.00 1.00 ATOM 173 CA ASN 177 18.659 37.617 51.199 1.00 1.00 ATOM 174 CA ALA 178 16.540 40.760 51.607 1.00 1.00 ATOM 175 CA ARG 179 17.708 41.831 48.120 1.00 1.00 ATOM 176 CA ALA 180 16.654 38.524 46.508 1.00 1.00 ATOM 177 CA PRO 181 13.498 38.167 48.566 1.00 1.00 ATOM 178 CA VAL 182 12.215 41.474 47.174 1.00 1.00 ATOM 179 CA TYR 183 12.931 40.147 43.702 1.00 1.00 ATOM 180 CA THR 184 10.992 37.016 44.578 1.00 1.00 ATOM 181 CA VAL 185 13.382 34.209 45.502 1.00 1.00 ATOM 182 CA THR 186 12.929 32.352 48.798 1.00 1.00 ATOM 183 CA HIS 187 16.375 32.657 50.480 1.00 1.00 ATOM 184 CA GLY 188 16.056 29.276 52.206 1.00 1.00 ATOM 185 CA ASP 189 16.305 27.477 48.860 1.00 1.00 ATOM 186 CA ILE 190 19.473 29.395 47.946 1.00 1.00 ATOM 187 CA ASP 191 23.030 28.257 48.759 1.00 1.00 ATOM 188 CA LEU 192 25.336 31.050 49.968 1.00 1.00 ATOM 189 CA GLY 193 28.950 30.251 49.134 1.00 1.00 ATOM 190 CA LEU 194 31.858 32.388 50.396 1.00 1.00 ATOM 191 CA LEU 195 34.574 32.303 47.738 1.00 1.00 ATOM 192 CA PHE 196 37.601 33.833 46.087 1.00 1.00 ATOM 193 CA ASN 197 37.496 33.593 42.311 1.00 1.00 ATOM 194 CA THR 198 41.068 34.787 42.303 1.00 1.00 ATOM 195 CA ASN 199 42.554 32.418 44.897 1.00 1.00 ATOM 196 CA GLY 200 40.212 29.522 44.186 1.00 1.00 ATOM 197 CA PHE 201 38.720 29.223 47.676 1.00 1.00 ATOM 198 CA MET 202 35.565 27.105 47.672 1.00 1.00 ATOM 199 CA LEU 203 35.592 27.153 43.868 1.00 1.00 ATOM 200 CA GLU 204 36.400 23.514 43.114 1.00 1.00 ATOM 201 CA GLU 205 38.123 22.682 46.422 1.00 1.00 ATOM 202 CA ASN 206 37.133 23.705 49.958 1.00 1.00 ATOM 203 CA VAL 207 38.881 26.670 51.577 1.00 1.00 ATOM 204 CA VAL 208 41.428 26.511 54.418 1.00 1.00 ATOM 205 CA SER 209 41.116 30.233 55.187 1.00 1.00 ATOM 206 CA THR 210 37.865 30.037 57.151 1.00 1.00 ATOM 207 CA LYS 211 37.659 27.513 60.028 1.00 1.00 ATOM 208 CA PRO 212 34.239 28.917 60.927 1.00 1.00 ATOM 209 CA ARG 213 32.886 27.874 57.512 1.00 1.00 ATOM 210 CA PHE 214 30.739 24.735 57.838 1.00 1.00 ATOM 211 CA HIS 215 29.498 24.834 54.261 1.00 1.00 ATOM 212 CA PHE 216 26.421 26.074 52.413 1.00 1.00 ATOM 213 CA ILE 217 22.933 24.528 52.499 1.00 1.00 ATOM 214 CA ALA 218 19.518 24.763 50.897 1.00 1.00 ATOM 215 CA ASP 219 16.000 23.454 51.383 1.00 1.00 ATOM 216 CA LYS 220 14.687 21.377 48.498 1.00 1.00 ATOM 217 CA GLN 221 11.362 19.534 48.318 1.00 1.00 ATOM 218 CA ASN 222 12.990 16.229 49.306 1.00 1.00 ATOM 219 CA ASP 223 15.155 17.609 52.113 1.00 1.00 ATOM 220 CA ILE 224 18.208 19.720 52.958 1.00 1.00 ATOM 221 CA SER 225 21.237 19.688 50.667 1.00 1.00 ATOM 222 CA SER 226 24.709 20.712 51.820 1.00 1.00 ATOM 223 CA ILE 227 28.175 21.199 50.333 1.00 1.00 ATOM 224 CA VAL 228 31.287 23.424 50.580 1.00 1.00 ATOM 225 CA VAL 229 32.194 24.562 47.065 1.00 1.00 ATOM 226 CA GLU 230 30.574 26.485 44.256 1.00 1.00 ATOM 227 CA LEU 231 31.087 23.453 42.053 1.00 1.00 ATOM 228 CA ASP 232 29.105 21.309 44.466 1.00 1.00 ATOM 229 CA TYR 233 26.341 23.931 44.536 1.00 1.00 ATOM 230 CA PRO 234 26.164 23.802 40.747 1.00 1.00 ATOM 231 CA VAL 235 26.293 20.015 40.700 1.00 1.00 ATOM 232 CA ASP 236 23.425 20.076 43.208 1.00 1.00 ATOM 233 CA ILE 237 21.201 22.045 40.806 1.00 1.00 ATOM 234 CA SER 238 17.975 20.136 40.317 1.00 1.00 ATOM 235 CA GLU 239 17.266 18.333 37.070 1.00 1.00 ATOM 236 CA VAL 240 14.613 20.241 35.119 1.00 1.00 ATOM 237 CA SER 241 12.145 18.356 32.904 1.00 1.00 ATOM 238 CA ARG 242 12.580 18.734 29.132 1.00 1.00 ATOM 239 CA VAL 243 9.523 19.090 26.800 1.00 1.00 ATOM 240 CA MET 244 10.388 15.962 24.820 1.00 1.00 ATOM 241 CA GLU 245 6.828 14.669 25.086 1.00 1.00 ATOM 242 CA ASN 246 5.030 17.941 24.369 1.00 1.00 ATOM 243 CA LEU 247 3.814 18.446 20.785 1.00 1.00 ATOM 244 CA LEU 248 6.379 19.721 18.248 1.00 1.00 ATOM 245 CA LEU 249 7.207 23.447 17.991 1.00 1.00 ATOM 246 CA GLU 250 9.957 24.718 15.703 1.00 1.00 ATOM 247 CA SER 251 10.096 28.508 15.036 1.00 1.00 ATOM 248 CA ALA 252 11.688 29.252 11.654 1.00 1.00 ATOM 249 CA ASP 253 14.863 31.327 11.434 1.00 1.00 ATOM 250 CA LYS 254 15.383 31.006 7.678 1.00 1.00 ATOM 251 CA LEU 255 13.926 29.473 4.530 1.00 1.00 ATOM 252 CA LEU 256 16.160 28.362 1.665 1.00 1.00 ATOM 253 CA ARG 257 15.405 27.198 -1.856 1.00 1.00 ATOM 254 CA TYR 258 18.016 24.567 -2.696 1.00 1.00 ATOM 255 CA LYS 259 18.426 23.339 -6.252 1.00 1.00 ATOM 256 CA GLY 260 17.635 19.664 -6.663 1.00 1.00 ATOM 257 CA MET 261 16.190 19.509 -3.139 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:39:08 2002 Date: Tue, 30 Jul 2002 04:39:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:11:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_242805_17136 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS007_5 Current information on models submitted in prediction T0149TS007 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS007_1 PIN_227573_17133 6269-7633-6117 07/30/02 04:10:15 casp5@bialko.llnl.gov T0149TS007_3 PIN_225900_17131 6269-7633-6117 07/30/02 04:09:40 casp5@bialko.llnl.gov T0149TS007_5 PIN_242805_17136 6269-7633-6117 07/30/02 04:11:09 casp5@bialko.llnl.gov T0149SS007_1 PIN_699441_12226 6269-7633-6117 07/17/02 07:58:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1IJF_A # Loading PARENT structure: 1ijf (chain: A) # Number of residues in PARENT structure: 440 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue K 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue N 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue C 64 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue D 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue S 113 # IMPORTANT NOTE! Not complete main chain atoms for residue H 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue C 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue H 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue L 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue F 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue M 202 # IMPORTANT NOTE! Not complete main chain atoms for residue L 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue E 205 # IMPORTANT NOTE! Not complete main chain atoms for residue N 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue T 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue P 212 # IMPORTANT NOTE! Not complete main chain atoms for residue R 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue H 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue N 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue I 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue S 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # IMPORTANT NOTE! Not complete main chain atoms for residue R 242 # IMPORTANT NOTE! Not complete main chain atoms for residue V 243 # IMPORTANT NOTE! Not complete main chain atoms for residue M 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue S 251 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue D 253 # IMPORTANT NOTE! Not complete main chain atoms for residue K 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 258 # IMPORTANT NOTE! Not complete main chain atoms for residue K 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 212 # Total number of atoms in model: 212 # Number of atoms with 1.0 occupancy: 212 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 212 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1IJF_A ATOM 10 CA THR 7 23.567 29.182 34.237 1.00 1.00 ATOM 11 CA LEU 8 23.714 32.978 34.217 1.00 1.00 ATOM 12 CA LEU 9 26.152 34.852 36.446 1.00 1.00 ATOM 13 CA THR 10 25.131 38.333 37.592 1.00 1.00 ATOM 14 CA GLY 11 26.676 41.009 39.781 1.00 1.00 ATOM 15 CA PHE 12 28.046 44.557 40.086 1.00 1.00 ATOM 16 CA LEU 13 31.097 45.708 38.049 1.00 1.00 ATOM 17 CA GLY 14 33.343 45.393 41.075 1.00 1.00 ATOM 18 CA ALA 15 32.057 41.990 42.214 1.00 1.00 ATOM 19 CA GLY 16 34.820 40.080 40.449 1.00 1.00 ATOM 20 CA LYS 17 32.247 37.906 38.707 1.00 1.00 ATOM 21 CA THR 18 34.265 37.641 35.479 1.00 1.00 ATOM 22 CA THR 19 37.342 36.271 37.271 1.00 1.00 ATOM 23 CA LEU 20 35.102 33.911 39.210 1.00 1.00 ATOM 24 CA LEU 21 33.322 32.640 36.102 1.00 1.00 ATOM 25 CA ARG 22 36.604 32.575 34.232 1.00 1.00 ATOM 26 CA HIS 23 38.172 30.399 36.923 1.00 1.00 ATOM 27 CA ILE 24 35.420 27.793 36.633 1.00 1.00 ATOM 28 CA LEU 25 35.722 27.646 32.843 1.00 1.00 ATOM 29 CA ASN 26 39.524 27.486 33.038 1.00 1.00 ATOM 30 CA GLU 27 39.694 24.657 35.536 1.00 1.00 ATOM 31 CA GLN 28 36.518 22.737 34.580 1.00 1.00 ATOM 32 CA VAL 43 36.132 23.500 30.872 1.00 1.00 ATOM 33 CA SER 44 38.093 23.891 27.643 1.00 1.00 ATOM 34 CA VAL 45 37.675 27.375 26.181 1.00 1.00 ATOM 35 CA ASP 46 40.569 29.181 24.408 1.00 1.00 ATOM 36 CA ASP 47 42.958 26.593 25.820 1.00 1.00 ATOM 37 CA GLN 48 45.734 27.334 23.340 1.00 1.00 ATOM 38 CA LEU 49 45.798 30.933 24.618 1.00 1.00 ATOM 39 CA ILE 50 45.719 29.683 28.213 1.00 1.00 ATOM 40 CA GLY 51 48.694 27.437 27.439 1.00 1.00 ATOM 41 CA ASP 52 50.639 30.274 25.858 1.00 1.00 ATOM 42 CA ARG 53 50.287 32.370 29.008 1.00 1.00 ATOM 43 CA ALA 54 50.947 29.513 31.428 1.00 1.00 ATOM 44 CA THR 55 54.339 29.089 29.760 1.00 1.00 ATOM 45 CA GLN 56 54.968 32.826 29.591 1.00 1.00 ATOM 46 CA ILE 57 54.271 33.100 33.316 1.00 1.00 ATOM 47 CA LYS 58 57.671 31.518 33.992 1.00 1.00 ATOM 48 CA THR 59 59.038 35.057 33.539 1.00 1.00 ATOM 49 CA LEU 60 57.451 36.254 36.825 1.00 1.00 ATOM 50 CA THR 61 59.784 34.130 38.898 1.00 1.00 ATOM 51 CA ASN 62 60.885 30.557 38.460 1.00 1.00 ATOM 52 CA GLY 63 57.760 28.903 37.030 1.00 1.00 ATOM 53 CA CYS 64 54.860 29.237 39.452 1.00 1.00 ATOM 54 CA ASN 71 51.748 31.101 38.311 1.00 1.00 ATOM 55 CA GLU 72 48.323 32.098 39.583 1.00 1.00 ATOM 56 CA LEU 73 45.279 31.203 37.525 1.00 1.00 ATOM 57 CA GLU 74 44.025 34.750 37.953 1.00 1.00 ATOM 58 CA ASP 75 47.147 36.092 36.241 1.00 1.00 ATOM 59 CA ALA 76 46.509 33.865 33.242 1.00 1.00 ATOM 60 CA LEU 77 42.862 34.921 33.141 1.00 1.00 ATOM 61 CA LEU 78 43.964 38.556 33.074 1.00 1.00 ATOM 62 CA ASP 79 46.202 37.913 30.078 1.00 1.00 ATOM 63 CA LEU 80 43.462 35.901 28.358 1.00 1.00 ATOM 64 CA LEU 81 41.101 38.857 28.780 1.00 1.00 ATOM 65 CA ASP 82 43.573 41.246 27.163 1.00 1.00 ATOM 66 CA ASN 83 44.075 38.782 24.324 1.00 1.00 ATOM 67 CA LEU 84 40.327 38.609 23.751 1.00 1.00 ATOM 68 CA ASP 85 40.165 42.398 23.693 1.00 1.00 ATOM 69 CA LYS 86 42.688 42.369 20.817 1.00 1.00 ATOM 70 CA GLY 87 40.328 40.194 18.780 1.00 1.00 ATOM 71 CA PHE 111 42.864 37.417 18.236 1.00 1.00 ATOM 72 CA PHE 112 41.548 34.552 20.351 1.00 1.00 ATOM 73 CA SER 113 39.845 31.753 18.405 1.00 1.00 ATOM 74 CA HIS 114 36.866 30.461 20.358 1.00 1.00 ATOM 75 CA GLU 115 33.362 31.852 20.115 1.00 1.00 ATOM 76 CA VAL 116 31.501 33.346 23.082 1.00 1.00 ATOM 77 CA LEU 117 29.542 30.160 23.855 1.00 1.00 ATOM 78 CA CYS 118 31.193 29.030 27.106 1.00 1.00 ATOM 79 CA GLN 119 30.819 25.717 28.910 1.00 1.00 ATOM 80 CA ARG 120 32.297 23.834 31.854 1.00 1.00 ATOM 81 CA TYR 121 31.690 20.551 33.650 1.00 1.00 ATOM 82 CA LEU 122 30.621 19.466 37.125 1.00 1.00 ATOM 83 CA LEU 123 30.329 15.840 38.273 1.00 1.00 ATOM 84 CA ASP 124 26.674 15.635 37.036 1.00 1.00 ATOM 85 CA GLY 125 26.441 18.360 34.362 1.00 1.00 ATOM 86 CA VAL 126 27.684 20.013 31.268 1.00 1.00 ATOM 87 CA ILE 127 27.034 23.697 32.157 1.00 1.00 ATOM 88 CA ALA 128 26.538 26.403 29.476 1.00 1.00 ATOM 89 CA LEU 129 27.328 29.674 31.306 1.00 1.00 ATOM 90 CA VAL 130 26.822 33.324 30.625 1.00 1.00 ATOM 91 CA ASP 131 28.850 35.905 32.504 1.00 1.00 ATOM 92 CA ALA 132 26.093 38.462 31.963 1.00 1.00 ATOM 93 CA VAL 133 27.233 41.429 29.880 1.00 1.00 ATOM 94 CA HIS 134 26.613 44.909 31.190 1.00 1.00 ATOM 95 CA ALA 135 25.587 45.821 27.632 1.00 1.00 ATOM 96 CA ASP 136 22.090 47.250 27.484 1.00 1.00 ATOM 97 CA GLU 137 21.218 45.194 24.408 1.00 1.00 ATOM 98 CA GLN 138 21.788 42.042 26.473 1.00 1.00 ATOM 134 CA MET 139 18.911 44.070 40.627 1.00 1.00 ATOM 135 CA ASN 140 17.442 44.443 37.153 1.00 1.00 ATOM 136 CA GLN 141 19.120 41.201 36.061 1.00 1.00 ATOM 137 CA PHE 142 17.889 39.430 39.189 1.00 1.00 ATOM 138 CA THR 143 14.376 40.731 38.596 1.00 1.00 ATOM 139 CA ILE 144 14.460 39.612 34.981 1.00 1.00 ATOM 140 CA ALA 145 15.620 36.112 35.933 1.00 1.00 ATOM 141 CA GLN 146 12.917 35.843 38.584 1.00 1.00 ATOM 142 CA SER 147 10.244 37.088 36.192 1.00 1.00 ATOM 143 CA GLN 148 11.330 34.627 33.499 1.00 1.00 ATOM 144 CA VAL 149 10.984 31.693 35.884 1.00 1.00 ATOM 145 CA GLY 150 14.622 31.185 36.895 1.00 1.00 ATOM 146 CA TYR 151 13.753 29.873 40.363 1.00 1.00 ATOM 147 CA ALA 152 17.098 28.538 41.464 1.00 1.00 ATOM 148 CA ASP 153 19.700 30.950 42.798 1.00 1.00 ATOM 149 CA ARG 154 23.180 30.623 44.286 1.00 1.00 ATOM 150 CA ILE 155 24.915 33.526 46.004 1.00 1.00 ATOM 151 CA LEU 156 28.694 33.722 46.150 1.00 1.00 ATOM 152 CA LEU 157 30.190 36.338 48.468 1.00 1.00 ATOM 153 CA THR 158 33.458 37.179 46.732 1.00 1.00 ATOM 154 CA LYS 159 36.553 39.068 47.847 1.00 1.00 ATOM 155 CA THR 160 36.441 37.472 51.273 1.00 1.00 ATOM 156 CA ASP 161 40.198 38.003 51.588 1.00 1.00 ATOM 157 CA VAL 162 39.638 41.764 51.559 1.00 1.00 ATOM 158 CA ALA 163 37.574 41.458 54.741 1.00 1.00 ATOM 159 CA GLY 164 39.951 38.936 56.278 1.00 1.00 ATOM 161 CA GLU 165 35.585 37.611 59.000 1.00 1.00 ATOM 162 CA ALA 166 32.546 35.546 60.032 1.00 1.00 ATOM 163 CA GLU 167 30.493 38.494 61.247 1.00 1.00 ATOM 164 CA LYS 168 30.989 40.324 57.975 1.00 1.00 ATOM 165 CA LEU 169 29.921 37.246 56.024 1.00 1.00 ATOM 166 CA HIS 170 26.858 36.871 58.253 1.00 1.00 ATOM 167 CA GLU 171 25.841 40.504 57.836 1.00 1.00 ATOM 168 CA ARG 172 26.294 40.236 54.078 1.00 1.00 ATOM 169 CA LEU 173 24.101 37.123 54.039 1.00 1.00 ATOM 170 CA ALA 174 21.423 38.975 56.024 1.00 1.00 ATOM 171 CA ARG 175 21.480 42.018 53.764 1.00 1.00 ATOM 172 CA ILE 176 21.638 39.960 50.569 1.00 1.00 ATOM 173 CA ASN 177 18.726 37.814 51.770 1.00 1.00 ATOM 174 CA ALA 178 16.695 40.994 52.143 1.00 1.00 ATOM 175 CA ARG 179 17.805 42.123 48.665 1.00 1.00 ATOM 176 CA ALA 180 16.771 38.860 46.996 1.00 1.00 ATOM 177 CA PRO 181 13.570 38.474 48.996 1.00 1.00 ATOM 178 CA VAL 182 12.370 41.822 47.680 1.00 1.00 ATOM 179 CA TYR 183 13.048 40.546 44.161 1.00 1.00 ATOM 180 CA THR 184 11.134 37.395 45.052 1.00 1.00 ATOM 181 CA VAL 185 13.534 34.568 45.889 1.00 1.00 ATOM 182 CA THR 186 13.166 32.523 49.076 1.00 1.00 ATOM 183 CA HIS 187 16.552 32.806 50.815 1.00 1.00 ATOM 184 CA GLY 188 16.128 29.419 52.499 1.00 1.00 ATOM 185 CA ASP 189 16.445 27.735 49.093 1.00 1.00 ATOM 186 CA ILE 190 19.656 29.640 48.297 1.00 1.00 ATOM 187 CA ASP 191 23.220 28.504 49.081 1.00 1.00 ATOM 188 CA LEU 192 25.477 31.331 50.305 1.00 1.00 ATOM 189 CA GLY 193 29.106 30.561 49.489 1.00 1.00 ATOM 190 CA LEU 194 32.045 32.643 50.734 1.00 1.00 ATOM 191 CA LEU 195 34.706 32.583 48.045 1.00 1.00 ATOM 192 CA PHE 196 37.820 34.178 46.683 1.00 1.00 ATOM 193 CA ASN 197 37.604 34.193 42.891 1.00 1.00 ATOM 194 CA THR 198 41.201 35.272 42.672 1.00 1.00 ATOM 195 CA ASN 199 42.734 32.959 45.266 1.00 1.00 ATOM 196 CA GLY 200 40.399 30.071 44.530 1.00 1.00 ATOM 197 CA PHE 201 39.033 29.618 48.050 1.00 1.00 ATOM 198 CA MET 202 35.842 27.538 47.962 1.00 1.00 ATOM 199 CA LEU 203 35.692 27.510 44.177 1.00 1.00 ATOM 200 CA GLU 204 36.635 23.926 43.401 1.00 1.00 ATOM 201 CA GLU 205 38.372 23.084 46.678 1.00 1.00 ATOM 202 CA ASN 206 37.409 24.072 50.215 1.00 1.00 ATOM 203 CA VAL 207 39.075 27.064 51.900 1.00 1.00 ATOM 204 CA VAL 208 41.581 26.820 54.769 1.00 1.00 ATOM 205 CA SER 209 41.160 30.518 55.634 1.00 1.00 ATOM 206 CA THR 210 37.919 30.190 57.573 1.00 1.00 ATOM 207 CA LYS 211 37.764 27.641 60.396 1.00 1.00 ATOM 208 CA PRO 212 34.279 28.945 61.299 1.00 1.00 ATOM 209 CA ARG 213 32.917 28.001 57.907 1.00 1.00 ATOM 210 CA PHE 214 30.803 24.834 58.110 1.00 1.00 ATOM 211 CA HIS 215 29.607 24.985 54.507 1.00 1.00 ATOM 212 CA PHE 216 26.511 26.239 52.674 1.00 1.00 ATOM 213 CA ILE 217 23.031 24.739 52.779 1.00 1.00 ATOM 214 CA ALA 218 19.719 24.975 50.988 1.00 1.00 ATOM 215 CA ASP 219 16.247 23.626 51.513 1.00 1.00 ATOM 216 CA LYS 220 14.854 21.564 48.639 1.00 1.00 ATOM 217 CA GLN 221 11.583 19.700 48.268 1.00 1.00 ATOM 218 CA ASN 222 13.205 16.411 49.358 1.00 1.00 ATOM 219 CA ASP 223 15.462 17.642 52.178 1.00 1.00 ATOM 220 CA ILE 224 18.439 19.860 52.969 1.00 1.00 ATOM 221 CA SER 225 21.446 19.821 50.650 1.00 1.00 ATOM 222 CA SER 226 24.852 20.878 51.951 1.00 1.00 ATOM 223 CA ILE 227 28.290 21.479 50.496 1.00 1.00 ATOM 224 CA VAL 228 31.452 23.570 50.814 1.00 1.00 ATOM 225 CA VAL 229 32.343 24.865 47.378 1.00 1.00 ATOM 226 CA GLU 230 30.784 26.880 44.615 1.00 1.00 ATOM 227 CA LEU 231 31.343 23.956 42.252 1.00 1.00 ATOM 228 CA ASP 232 29.377 21.766 44.653 1.00 1.00 ATOM 229 CA TYR 233 26.574 24.328 44.733 1.00 1.00 ATOM 230 CA PRO 234 26.434 24.296 40.943 1.00 1.00 ATOM 231 CA VAL 235 26.450 20.482 40.832 1.00 1.00 ATOM 232 CA ASP 236 23.553 20.612 43.310 1.00 1.00 ATOM 233 CA ILE 237 21.366 22.576 40.887 1.00 1.00 ATOM 234 CA SER 238 18.144 20.650 40.392 1.00 1.00 ATOM 235 CA GLU 239 17.527 18.776 37.170 1.00 1.00 ATOM 236 CA VAL 240 14.831 20.667 35.245 1.00 1.00 ATOM 237 CA SER 241 12.312 18.772 33.084 1.00 1.00 ATOM 238 CA ARG 242 12.826 19.265 29.324 1.00 1.00 ATOM 239 CA VAL 243 9.828 19.675 26.925 1.00 1.00 ATOM 240 CA MET 244 10.575 16.598 24.769 1.00 1.00 ATOM 241 CA GLU 245 7.056 15.208 25.059 1.00 1.00 ATOM 242 CA ASN 246 5.217 18.494 24.615 1.00 1.00 ATOM 243 CA LEU 247 3.732 19.304 21.208 1.00 1.00 ATOM 244 CA LEU 248 6.192 20.652 18.680 1.00 1.00 ATOM 245 CA LEU 249 6.910 24.403 18.602 1.00 1.00 ATOM 246 CA GLU 250 9.669 25.620 16.321 1.00 1.00 ATOM 247 CA SER 251 9.892 29.420 15.693 1.00 1.00 ATOM 248 CA ALA 252 11.508 30.189 12.343 1.00 1.00 ATOM 249 CA ASP 253 14.709 32.207 12.150 1.00 1.00 ATOM 250 CA LYS 254 15.290 32.032 8.420 1.00 1.00 ATOM 251 CA LEU 255 13.824 30.449 5.291 1.00 1.00 ATOM 252 CA LEU 256 16.000 29.355 2.363 1.00 1.00 ATOM 253 CA ARG 257 15.341 28.285 -1.225 1.00 1.00 ATOM 254 CA TYR 258 17.943 25.649 -2.104 1.00 1.00 ATOM 255 CA LYS 259 18.426 24.473 -5.664 1.00 1.00 ATOM 256 CA GLY 260 17.516 20.813 -6.011 1.00 1.00 ATOM 257 CA MET 261 16.035 20.690 -2.501 1.00 1.00 TER END ################################ # # # END # # # ################################