From mailer@bialko.llnl.gov Wed Aug 7 20:43:18 2002 Date: Wed, 7 Aug 2002 20:43:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 20:15:22 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_278306_19728 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172SS007_1 Current information on models submitted in prediction T0172SS007 MODEL_INDEX PIN CODE DATE E-mail T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 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: 299 # Number of residues with nonzero confidence: 299 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0172 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-12019.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-9722//target-align-9722.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 186.294 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-12019.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc60.16793/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Aug 7 14:31:42 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-9722//target-align-9722.a2m METHOD METHOD guide seq name: seed-seqs-12019.a2m(1), 299 bases, DFA53E41 checksum. METHOD ###end 0 MODEL 1 M C 0.595 R C 0.545 K C 0.58 Y C 0.6 S C 0.587 Q C 0.51 R C 0.522 H C 0.516 I C 0.465 P C 0.393 V H 0.389 M H 0.422 V H 0.655 R H 0.693 E H 0.702 V H 0.688 I H 0.689 E H 0.67 F H 0.643 L H 0.55 K C 0.536 P C 0.566 E C 0.667 D C 0.684 E C 0.673 K C 0.603 I E 0.572 I E 0.67 L E 0.639 D E 0.516 C C 0.416 T C 0.529 V C 0.604 G C 0.677 E C 0.598 G H 0.45 G H 0.551 H H 0.589 S H 0.633 R H 0.669 A H 0.676 I H 0.682 L H 0.678 E H 0.639 H H 0.557 C C 0.617 P C 0.646 G C 0.635 C C 0.551 R E 0.499 I E 0.635 I E 0.651 G E 0.608 I E 0.537 D C 0.475 V C 0.596 D C 0.647 S H 0.732 E H 0.752 V H 0.764 L H 0.78 R H 0.784 I H 0.789 A H 0.783 E H 0.787 E H 0.771 K H 0.731 L H 0.703 K H 0.659 E H 0.631 F H 0.454 S C 0.62 D C 0.61 R C 0.473 V E 0.504 S E 0.581 L E 0.608 F E 0.584 K E 0.508 V C 0.433 S C 0.589 Y H 0.505 R H 0.543 E H 0.53 A C 0.44 D H 0.443 F H 0.458 L H 0.442 L H 0.519 K H 0.49 T H 0.496 L C 0.489 G C 0.587 I C 0.603 E C 0.624 K C 0.579 V C 0.498 D C 0.424 G E 0.601 I E 0.655 L E 0.655 M E 0.606 D C 0.432 L C 0.57 G C 0.6 V C 0.527 S C 0.532 T C 0.488 Y C 0.516 Q C 0.556 L C 0.508 K C 0.551 G C 0.521 E C 0.512 N C 0.475 R C 0.497 G C 0.566 F C 0.466 T C 0.395 F E 0.362 E C 0.416 R C 0.491 E C 0.555 E C 0.601 P C 0.581 L C 0.491 D C 0.5 M C 0.442 R C 0.443 M C 0.5 D C 0.607 L C 0.588 E C 0.59 S C 0.581 E C 0.582 V C 0.524 T C 0.54 A H 0.635 Q H 0.652 K H 0.656 V H 0.624 L H 0.601 N H 0.51 E H 0.448 L C 0.522 P C 0.567 E H 0.725 E H 0.738 E H 0.744 L H 0.745 A H 0.739 R H 0.732 I H 0.675 I H 0.657 F H 0.578 E H 0.511 Y C 0.5 G C 0.505 E H 0.565 E H 0.618 K H 0.637 R H 0.654 F H 0.699 A H 0.726 R H 0.756 R H 0.756 I H 0.766 A H 0.771 R H 0.772 K H 0.747 I H 0.733 V H 0.724 E H 0.705 N H 0.591 R C 0.485 P C 0.603 L C 0.516 N C 0.547 T C 0.475 T H 0.677 L H 0.727 D H 0.736 L H 0.752 V H 0.754 K H 0.757 A H 0.746 V H 0.727 R H 0.708 E H 0.678 A H 0.584 L H 0.479 P H 0.464 S H 0.499 Y H 0.513 E H 0.557 I H 0.535 R H 0.479 R C 0.435 R C 0.501 K C 0.601 R C 0.569 H C 0.595 F H 0.451 A H 0.515 T H 0.567 K H 0.542 T H 0.47 F H 0.473 Q H 0.452 A H 0.425 I E 0.434 R E 0.478 I E 0.512 Y E 0.496 V E 0.414 N C 0.495 R C 0.545 E C 0.501 L H 0.526 E H 0.554 N H 0.568 L H 0.75 K H 0.786 E H 0.797 F H 0.787 L H 0.796 K H 0.799 K H 0.797 A H 0.779 E H 0.77 D H 0.756 L H 0.723 L H 0.643 N C 0.529 P C 0.565 G C 0.692 G C 0.638 R E 0.501 I E 0.685 V E 0.719 V E 0.709 I E 0.64 S E 0.529 F C 0.412 H C 0.524 S C 0.581 L C 0.47 E H 0.5 D H 0.582 R H 0.647 I H 0.663 V H 0.692 K H 0.714 E H 0.716 T H 0.703 F H 0.697 R H 0.68 N H 0.642 S H 0.448 K C 0.465 K H 0.459 L H 0.431 R H 0.425 I H 0.394 L C 0.377 T C 0.499 E C 0.566 K C 0.562 P C 0.529 V C 0.506 R C 0.555 P C 0.509 S C 0.445 E H 0.633 E H 0.671 E H 0.675 I H 0.666 R H 0.632 E H 0.58 N C 0.641 P C 0.603 R C 0.533 A C 0.497 R C 0.438 S H 0.43 G H 0.437 R H 0.493 L H 0.491 R H 0.506 A H 0.508 A H 0.542 E H 0.492 R H 0.446 I H 0.407 E C 0.531 E C 0.649 G C 0.863 G C 0.879 D C 0.891 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:02:09 2002 Date: Wed, 14 Aug 2002 10:02:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:34:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_476223_23564 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS007_1 Current information on models submitted in prediction T0172TS007 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1INL_B # Loading PARENT structure: 1inl (chain: B) # Number of residues in PARENT structure: 291 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue P 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue R 271 # IMPORTANT NOTE! Not complete main chain atoms for residue P 272 # IMPORTANT NOTE! Not complete main chain atoms for residue S 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue E 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue N 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue R 284 # IMPORTANT NOTE! Not complete main chain atoms for residue S 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue R 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue R 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue I 294 # IMPORTANT NOTE! Not complete main chain atoms for residue E 295 # IMPORTANT NOTE! Not complete main chain atoms for residue E 296 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 167 # Total number of atoms in model: 167 # Number of atoms with 1.0 occupancy: 167 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 167 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1INL_B ATOM 83 CA ILE 17 22.290 -7.044 47.639 1.00 1.00 ATOM 84 CA GLU 18 20.739 -6.169 51.021 1.00 1.00 ATOM 85 CA PHE 19 17.140 -6.888 49.944 1.00 1.00 ATOM 86 CA LEU 20 17.890 -10.475 48.880 1.00 1.00 ATOM 87 CA LYS 21 20.075 -11.091 51.943 1.00 1.00 ATOM 88 CA PRO 22 17.290 -10.188 54.362 1.00 1.00 ATOM 89 CA GLU 23 15.027 -13.191 55.169 1.00 1.00 ATOM 90 CA ASP 24 11.767 -11.196 54.882 1.00 1.00 ATOM 91 CA GLU 25 12.183 -7.418 54.317 1.00 1.00 ATOM 92 CA LYS 26 8.932 -5.624 55.140 1.00 1.00 ATOM 93 CA ILE 27 9.955 -2.143 56.317 1.00 1.00 ATOM 94 CA ILE 28 12.677 -0.306 54.398 1.00 1.00 ATOM 95 CA LEU 29 14.231 3.148 54.843 1.00 1.00 ATOM 96 CA ASP 30 16.099 4.798 51.958 1.00 1.00 ATOM 97 CA CYS 31 18.093 7.942 52.746 1.00 1.00 ATOM 98 CA THR 32 18.929 10.103 49.758 1.00 1.00 ATOM 99 CA VAL 33 17.864 8.701 46.394 1.00 1.00 ATOM 100 CA GLY 34 15.739 11.693 45.447 1.00 1.00 ATOM 101 CA GLU 35 15.507 10.435 41.860 1.00 1.00 ATOM 102 CA GLY 36 13.586 7.366 43.048 1.00 1.00 ATOM 103 CA GLY 37 15.705 4.648 41.431 1.00 1.00 ATOM 104 CA HIS 38 16.565 2.804 44.641 1.00 1.00 ATOM 105 CA SER 39 12.921 2.987 45.751 1.00 1.00 ATOM 106 CA ARG 40 11.891 1.477 42.396 1.00 1.00 ATOM 107 CA ALA 41 14.237 -1.484 42.885 1.00 1.00 ATOM 108 CA ILE 42 13.170 -1.987 46.520 1.00 1.00 ATOM 109 CA LEU 43 9.492 -2.068 45.493 1.00 1.00 ATOM 110 CA GLU 44 10.160 -5.058 43.219 1.00 1.00 ATOM 111 CA HIS 45 10.363 -7.211 46.366 1.00 1.00 ATOM 112 CA CYS 46 6.855 -8.484 47.167 1.00 1.00 ATOM 113 CA PRO 47 7.585 -8.737 50.898 1.00 1.00 ATOM 114 CA GLY 48 7.866 -4.941 51.174 1.00 1.00 ATOM 115 CA CYS 49 4.953 -3.377 53.064 1.00 1.00 ATOM 116 CA ARG 50 6.423 0.095 53.596 1.00 1.00 ATOM 117 CA ILE 51 9.352 1.863 51.951 1.00 1.00 ATOM 118 CA ILE 52 10.214 5.318 53.268 1.00 1.00 ATOM 119 CA GLY 53 12.175 7.629 50.985 1.00 1.00 ATOM 120 CA ILE 54 13.828 10.321 53.095 1.00 1.00 ATOM 121 CA ASP 55 15.016 13.212 50.917 1.00 1.00 ATOM 122 CA VAL 56 16.453 16.450 52.315 1.00 1.00 ATOM 123 CA ASP 57 15.487 18.619 49.313 1.00 1.00 ATOM 124 CA SER 58 11.828 18.919 48.333 1.00 1.00 ATOM 125 CA GLU 59 12.764 20.448 44.978 1.00 1.00 ATOM 126 CA VAL 60 14.635 17.260 44.049 1.00 1.00 ATOM 127 CA LEU 61 11.483 15.197 44.673 1.00 1.00 ATOM 128 CA ARG 62 9.317 17.582 42.651 1.00 1.00 ATOM 129 CA ILE 63 11.783 17.734 39.755 1.00 1.00 ATOM 130 CA ALA 64 12.154 13.943 39.762 1.00 1.00 ATOM 131 CA GLU 65 8.384 13.438 39.776 1.00 1.00 ATOM 132 CA GLU 66 7.997 15.705 36.750 1.00 1.00 ATOM 133 CA LYS 67 11.141 15.064 34.697 1.00 1.00 ATOM 134 CA LEU 68 12.684 11.741 35.782 1.00 1.00 ATOM 135 CA LYS 69 9.819 9.325 35.112 1.00 1.00 ATOM 136 CA GLU 70 12.084 6.295 34.617 1.00 1.00 ATOM 137 CA PHE 71 13.278 6.477 38.220 1.00 1.00 ATOM 138 CA SER 72 10.398 8.252 39.996 1.00 1.00 ATOM 144 CA ASP 73 0.915 3.030 48.165 1.00 1.00 ATOM 145 CA ARG 74 3.838 1.308 49.908 1.00 1.00 ATOM 146 CA VAL 75 6.070 4.329 49.357 1.00 1.00 ATOM 147 CA SER 76 6.166 7.240 51.786 1.00 1.00 ATOM 148 CA LEU 77 8.210 10.295 50.823 1.00 1.00 ATOM 149 CA PHE 78 9.543 12.332 53.742 1.00 1.00 ATOM 150 CA LYS 79 11.335 15.658 53.326 1.00 1.00 ATOM 151 CA VAL 80 13.938 15.645 56.088 1.00 1.00 ATOM 152 CA SER 81 17.629 15.390 56.928 1.00 1.00 ATOM 153 CA TYR 82 18.292 11.641 57.031 1.00 1.00 ATOM 154 CA ARG 83 20.629 11.917 60.020 1.00 1.00 ATOM 155 CA GLU 84 17.885 13.608 62.053 1.00 1.00 ATOM 156 CA ALA 85 15.091 11.389 60.733 1.00 1.00 ATOM 157 CA ASP 86 16.670 7.989 61.401 1.00 1.00 ATOM 158 CA PHE 87 17.369 8.756 65.070 1.00 1.00 ATOM 159 CA LEU 88 13.609 8.971 65.708 1.00 1.00 ATOM 160 CA LEU 89 13.382 5.197 65.272 1.00 1.00 ATOM 161 CA LYS 90 14.466 2.205 67.343 1.00 1.00 ATOM 162 CA GLU 95 14.112 -1.472 66.352 1.00 1.00 ATOM 163 CA LYS 96 11.867 -0.439 63.450 1.00 1.00 ATOM 164 CA VAL 97 13.393 -1.224 60.052 1.00 1.00 ATOM 165 CA ASP 98 14.414 -4.440 58.316 1.00 1.00 ATOM 166 CA GLY 99 16.623 -2.676 55.761 1.00 1.00 ATOM 167 CA ILE 100 18.323 0.734 55.620 1.00 1.00 ATOM 168 CA LEU 101 19.935 1.959 52.394 1.00 1.00 ATOM 169 CA MET 102 22.036 5.123 52.073 1.00 1.00 ATOM 170 CA ASP 103 21.935 6.540 48.520 1.00 1.00 ATOM 171 CA LEU 104 24.090 9.418 47.137 1.00 1.00 ATOM 172 CA GLY 105 21.840 12.366 46.195 1.00 1.00 ATOM 173 CA VAL 106 21.844 14.122 49.594 1.00 1.00 ATOM 174 CA SER 107 24.665 16.566 50.494 1.00 1.00 ATOM 175 CA THR 108 25.693 17.596 54.020 1.00 1.00 ATOM 176 CA TYR 109 29.058 19.362 53.626 1.00 1.00 ATOM 181 CA LEU 219 26.120 14.295 58.432 1.00 1.00 ATOM 182 CA GLU 220 25.140 11.088 56.615 1.00 1.00 ATOM 183 CA ASN 221 28.613 9.630 57.151 1.00 1.00 ATOM 184 CA LEU 222 29.547 10.019 60.838 1.00 1.00 ATOM 185 CA LYS 223 30.010 7.120 63.273 1.00 1.00 ATOM 186 CA GLU 224 27.017 8.396 65.259 1.00 1.00 ATOM 187 CA PHE 225 24.880 8.424 62.106 1.00 1.00 ATOM 188 CA LEU 226 25.764 4.798 61.399 1.00 1.00 ATOM 189 CA LYS 227 25.061 3.974 65.054 1.00 1.00 ATOM 190 CA LYS 228 21.632 5.614 64.675 1.00 1.00 ATOM 191 CA ALA 229 21.049 3.418 61.616 1.00 1.00 ATOM 192 CA GLU 230 22.121 0.370 63.623 1.00 1.00 ATOM 193 CA ASP 231 19.745 1.268 66.464 1.00 1.00 ATOM 194 CA LEU 232 16.876 1.937 64.031 1.00 1.00 ATOM 195 CA LEU 233 17.239 -1.548 62.529 1.00 1.00 ATOM 196 CA ASN 234 15.665 -4.667 64.020 1.00 1.00 ATOM 197 CA PRO 235 17.771 -7.505 65.494 1.00 1.00 ATOM 198 CA GLY 236 18.249 -9.155 62.091 1.00 1.00 ATOM 199 CA GLY 237 18.313 -5.975 60.029 1.00 1.00 ATOM 200 CA ARG 238 20.585 -5.319 57.056 1.00 1.00 ATOM 201 CA ILE 239 22.192 -2.216 55.569 1.00 1.00 ATOM 202 CA VAL 240 23.891 -0.917 52.434 1.00 1.00 ATOM 203 CA VAL 241 25.497 2.425 51.686 1.00 1.00 ATOM 204 CA ILE 242 27.042 3.674 48.483 1.00 1.00 ATOM 205 CA SER 243 30.704 4.287 49.340 1.00 1.00 ATOM 206 CA PHE 244 31.973 5.725 46.055 1.00 1.00 ATOM 207 CA HIS 245 35.045 5.109 43.909 1.00 1.00 ATOM 208 CA SER 246 38.299 3.900 45.504 1.00 1.00 ATOM 209 CA LEU 247 40.197 6.075 43.006 1.00 1.00 ATOM 210 CA GLU 248 39.406 9.821 42.935 1.00 1.00 ATOM 211 CA ASP 249 37.469 9.513 46.188 1.00 1.00 ATOM 212 CA ARG 250 39.779 7.110 48.039 1.00 1.00 ATOM 214 CA ILE 251 36.143 9.248 51.655 1.00 1.00 ATOM 215 CA VAL 252 35.985 5.551 50.739 1.00 1.00 ATOM 216 CA LYS 253 38.410 4.653 53.538 1.00 1.00 ATOM 217 CA GLU 254 36.656 6.916 56.038 1.00 1.00 ATOM 218 CA THR 255 33.211 5.463 55.316 1.00 1.00 ATOM 219 CA PHE 256 34.430 1.868 55.628 1.00 1.00 ATOM 220 CA ARG 257 36.215 2.616 58.903 1.00 1.00 ATOM 221 CA ASN 258 33.183 4.314 60.444 1.00 1.00 ATOM 222 CA SER 259 30.655 1.697 59.319 1.00 1.00 ATOM 254 CA LYS 260 26.889 -12.858 56.098 1.00 1.00 ATOM 255 CA LYS 261 26.641 -11.613 52.478 1.00 1.00 ATOM 256 CA LEU 262 28.181 -14.816 51.118 1.00 1.00 ATOM 257 CA ARG 263 27.499 -17.558 53.680 1.00 1.00 ATOM 258 CA ILE 264 23.847 -16.570 54.137 1.00 1.00 ATOM 259 CA LEU 265 23.107 -15.892 50.461 1.00 1.00 ATOM 260 CA THR 266 20.403 -18.005 48.807 1.00 1.00 ATOM 261 CA GLU 267 20.905 -18.006 44.989 1.00 1.00 ATOM 262 CA LYS 268 17.480 -19.603 44.518 1.00 1.00 ATOM 263 CA PRO 269 15.716 -16.452 45.746 1.00 1.00 ATOM 264 CA VAL 270 17.355 -14.573 42.873 1.00 1.00 ATOM 265 CA ARG 271 16.883 -17.312 40.280 1.00 1.00 ATOM 266 CA PRO 272 13.149 -17.480 41.067 1.00 1.00 ATOM 267 CA SER 273 12.679 -13.685 41.285 1.00 1.00 ATOM 268 CA GLU 274 9.533 -12.565 39.438 1.00 1.00 ATOM 269 CA GLU 275 10.777 -9.113 38.392 1.00 1.00 ATOM 270 CA GLU 276 13.140 -7.725 35.764 1.00 1.00 ATOM 271 CA ILE 277 16.841 -7.368 36.580 1.00 1.00 ATOM 272 CA ARG 278 19.189 -5.837 34.011 1.00 1.00 ATOM 273 CA GLU 279 22.428 -6.159 36.006 1.00 1.00 ATOM 274 CA ASN 280 22.109 -8.105 39.256 1.00 1.00 ATOM 275 CA PRO 281 22.097 -11.915 39.318 1.00 1.00 ATOM 276 CA ARG 282 23.311 -14.699 41.627 1.00 1.00 ATOM 277 CA ALA 283 26.841 -14.947 40.200 1.00 1.00 ATOM 278 CA ARG 284 27.271 -11.172 40.266 1.00 1.00 ATOM 279 CA SER 285 26.133 -11.020 43.906 1.00 1.00 ATOM 280 CA GLY 286 28.964 -13.295 45.031 1.00 1.00 ATOM 281 CA ARG 287 31.517 -11.893 42.578 1.00 1.00 ATOM 282 CA LEU 288 30.947 -8.293 43.678 1.00 1.00 ATOM 283 CA ARG 289 32.569 -9.083 47.030 1.00 1.00 ATOM 284 CA ALA 290 35.906 -10.038 45.446 1.00 1.00 ATOM 285 CA ALA 291 38.203 -7.055 45.944 1.00 1.00 ATOM 286 CA GLU 292 41.290 -6.308 43.816 1.00 1.00 ATOM 287 CA ARG 293 44.581 -6.128 45.736 1.00 1.00 ATOM 288 CA ILE 294 44.846 -2.326 45.710 1.00 1.00 ATOM 289 CA GLU 295 41.414 -2.011 47.337 1.00 1.00 ATOM 290 CA GLU 296 42.302 -4.626 49.970 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:01:12 2002 Date: Wed, 14 Aug 2002 10:01:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:33:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_466788_23561 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS007_2 Current information on models submitted in prediction T0172TS007 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 casp5@bialko.llnl.gov T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1INL_C # Loading PARENT structure: 1inl (chain: C) # Number of residues in PARENT structure: 293 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue R 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue P 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue R 271 # IMPORTANT NOTE! Not complete main chain atoms for residue P 272 # IMPORTANT NOTE! Not complete main chain atoms for residue S 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue E 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue N 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue R 284 # IMPORTANT NOTE! Not complete main chain atoms for residue S 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue R 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue R 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue I 294 # IMPORTANT NOTE! Not complete main chain atoms for residue E 295 # IMPORTANT NOTE! Not complete main chain atoms for residue E 296 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 171 # Total number of atoms in model: 171 # Number of atoms with 1.0 occupancy: 171 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 171 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1INL_C ATOM 83 CA ILE 17 44.250 -14.799 33.530 1.00 1.00 ATOM 84 CA GLU 18 45.692 -16.810 30.601 1.00 1.00 ATOM 85 CA PHE 19 49.184 -17.120 32.117 1.00 1.00 ATOM 86 CA LEU 20 47.975 -18.753 35.354 1.00 1.00 ATOM 87 CA LYS 21 45.577 -21.028 33.449 1.00 1.00 ATOM 88 CA PRO 22 48.309 -22.516 31.267 1.00 1.00 ATOM 89 CA GLU 23 50.106 -25.588 32.754 1.00 1.00 ATOM 90 CA ASP 24 53.629 -24.314 31.968 1.00 1.00 ATOM 91 CA GLU 25 53.768 -21.205 29.725 1.00 1.00 ATOM 92 CA LYS 26 57.221 -21.043 28.147 1.00 1.00 ATOM 93 CA ILE 27 56.660 -19.280 24.810 1.00 1.00 ATOM 94 CA ILE 28 54.378 -16.252 24.688 1.00 1.00 ATOM 95 CA LEU 29 53.383 -13.938 21.836 1.00 1.00 ATOM 96 CA ASP 30 51.896 -10.512 22.579 1.00 1.00 ATOM 97 CA CYS 31 50.386 -8.588 19.675 1.00 1.00 ATOM 98 CA THR 32 49.999 -4.846 20.181 1.00 1.00 ATOM 99 CA VAL 33 50.645 -3.050 23.468 1.00 1.00 ATOM 100 CA GLY 34 53.715 -1.089 22.410 1.00 1.00 ATOM 101 CA GLU 35 53.796 0.554 25.841 1.00 1.00 ATOM 102 CA GLY 36 55.092 -2.764 27.204 1.00 1.00 ATOM 103 CA GLY 37 52.751 -3.269 30.162 1.00 1.00 ATOM 104 CA HIS 38 51.488 -6.698 29.145 1.00 1.00 ATOM 105 CA SER 39 55.056 -7.823 28.451 1.00 1.00 ATOM 106 CA ARG 40 56.054 -6.667 31.948 1.00 1.00 ATOM 107 CA ALA 41 53.303 -8.795 33.520 1.00 1.00 ATOM 108 CA ILE 42 54.056 -11.842 31.356 1.00 1.00 ATOM 109 CA LEU 43 57.734 -11.684 32.359 1.00 1.00 ATOM 110 CA GLU 44 56.766 -12.034 36.034 1.00 1.00 ATOM 111 CA HIS 45 56.084 -15.711 35.326 1.00 1.00 ATOM 112 CA CYS 46 59.292 -17.687 35.879 1.00 1.00 ATOM 113 CA PRO 47 58.247 -20.387 33.402 1.00 1.00 ATOM 114 CA GLY 48 58.542 -17.925 30.508 1.00 1.00 ATOM 115 CA CYS 49 61.601 -18.591 28.353 1.00 1.00 ATOM 116 CA ARG 50 60.666 -16.417 25.382 1.00 1.00 ATOM 117 CA ILE 51 58.175 -13.563 25.118 1.00 1.00 ATOM 118 CA ILE 52 57.708 -11.787 21.798 1.00 1.00 ATOM 119 CA GLY 53 56.147 -8.327 21.616 1.00 1.00 ATOM 120 CA ILE 54 54.862 -7.621 18.104 1.00 1.00 ATOM 121 CA ASP 55 54.205 -3.892 17.614 1.00 1.00 ATOM 122 CA VAL 56 53.328 -2.362 14.238 1.00 1.00 ATOM 123 CA ASP 57 54.701 1.123 14.994 1.00 1.00 ATOM 124 CA SER 58 58.394 1.483 15.777 1.00 1.00 ATOM 125 CA GLU 59 57.877 5.061 16.992 1.00 1.00 ATOM 126 CA VAL 60 55.632 3.754 19.788 1.00 1.00 ATOM 127 CA LEU 61 58.438 1.456 20.979 1.00 1.00 ATOM 128 CA ARG 62 61.006 4.264 20.854 1.00 1.00 ATOM 129 CA ILE 63 58.704 6.691 22.679 1.00 1.00 ATOM 130 CA ALA 64 57.882 4.057 25.314 1.00 1.00 ATOM 131 CA GLU 65 61.582 3.470 26.023 1.00 1.00 ATOM 132 CA GLU 66 62.194 7.147 26.722 1.00 1.00 ATOM 133 CA LYS 67 58.934 8.324 28.257 1.00 1.00 ATOM 134 CA LEU 68 56.939 5.315 29.480 1.00 1.00 ATOM 135 CA LYS 69 59.484 3.591 31.719 1.00 1.00 ATOM 136 CA GLU 70 56.852 2.208 34.113 1.00 1.00 ATOM 137 CA PHE 71 55.511 -0.013 31.326 1.00 1.00 ATOM 138 CA SER 72 58.572 -0.445 29.076 1.00 1.00 ATOM 144 CA ASP 73 67.006 -11.421 27.898 1.00 1.00 ATOM 145 CA ARG 74 63.842 -13.485 27.327 1.00 1.00 ATOM 146 CA VAL 75 62.080 -10.679 25.452 1.00 1.00 ATOM 147 CA SER 76 62.126 -10.006 21.719 1.00 1.00 ATOM 148 CA LEU 77 60.552 -6.928 20.157 1.00 1.00 ATOM 149 CA PHE 78 59.404 -7.303 16.556 1.00 1.00 ATOM 150 CA LYS 79 58.132 -4.408 14.446 1.00 1.00 ATOM 151 CA VAL 80 55.476 -5.951 12.212 1.00 1.00 ATOM 152 CA SER 81 51.766 -6.260 11.473 1.00 1.00 ATOM 153 CA TYR 82 50.421 -8.833 13.933 1.00 1.00 ATOM 154 CA ARG 83 48.022 -10.479 11.477 1.00 1.00 ATOM 155 CA GLU 84 50.872 -11.143 9.045 1.00 1.00 ATOM 156 CA ALA 85 53.419 -12.095 11.711 1.00 1.00 ATOM 157 CA ASP 86 51.343 -14.742 13.500 1.00 1.00 ATOM 158 CA PHE 87 50.770 -16.597 10.197 1.00 1.00 ATOM 159 CA LEU 88 54.487 -17.425 10.037 1.00 1.00 ATOM 160 CA LEU 89 54.017 -19.827 12.958 1.00 1.00 ATOM 161 CA LYS 90 52.336 -23.191 13.533 1.00 1.00 ATOM 162 CA GLU 95 52.237 -25.192 16.802 1.00 1.00 ATOM 163 CA LYS 96 54.737 -22.721 18.290 1.00 1.00 ATOM 164 CA VAL 97 53.284 -20.753 21.215 1.00 1.00 ATOM 165 CA ASP 98 51.837 -21.643 24.604 1.00 1.00 ATOM 166 CA GLY 99 50.057 -18.296 25.040 1.00 1.00 ATOM 167 CA ILE 100 48.918 -15.577 22.634 1.00 1.00 ATOM 168 CA LEU 101 47.648 -12.254 23.980 1.00 1.00 ATOM 169 CA MET 102 46.069 -9.552 21.802 1.00 1.00 ATOM 170 CA ASP 103 46.555 -6.134 23.409 1.00 1.00 ATOM 171 CA LEU 104 45.438 -2.766 21.963 1.00 1.00 ATOM 172 CA GLY 105 45.872 -2.480 18.193 1.00 1.00 ATOM 173 CA VAL 106 44.517 0.107 15.744 1.00 1.00 ATOM 174 CA SER 107 41.890 1.647 18.093 1.00 1.00 ATOM 175 CA THR 108 40.599 4.011 15.381 1.00 1.00 ATOM 176 CA TYR 109 39.706 1.107 13.056 1.00 1.00 ATOM 177 CA GLN 110 37.193 -0.362 15.481 1.00 1.00 ATOM 178 CA ASN 216 35.582 -3.736 14.807 1.00 1.00 ATOM 179 CA ARG 217 36.697 -3.576 11.184 1.00 1.00 ATOM 180 CA GLU 218 40.344 -3.828 12.209 1.00 1.00 ATOM 181 CA LEU 219 42.698 -6.534 10.963 1.00 1.00 ATOM 182 CA GLU 220 43.174 -8.026 14.435 1.00 1.00 ATOM 183 CA ASN 221 39.465 -8.740 14.891 1.00 1.00 ATOM 184 CA LEU 222 38.859 -11.039 11.915 1.00 1.00 ATOM 185 CA LYS 223 38.016 -14.748 12.025 1.00 1.00 ATOM 186 CA GLU 224 41.011 -15.356 9.735 1.00 1.00 ATOM 187 CA PHE 225 43.320 -13.720 12.284 1.00 1.00 ATOM 188 CA LEU 226 41.854 -15.670 15.200 1.00 1.00 ATOM 189 CA LYS 227 42.251 -18.888 13.195 1.00 1.00 ATOM 190 CA LYS 228 45.904 -17.990 12.568 1.00 1.00 ATOM 191 CA ALA 229 46.317 -17.528 16.328 1.00 1.00 ATOM 192 CA GLU 230 44.697 -20.918 16.955 1.00 1.00 ATOM 193 CA ASP 231 47.056 -22.507 14.413 1.00 1.00 ATOM 194 CA LEU 232 50.124 -20.773 15.902 1.00 1.00 ATOM 195 CA LEU 233 49.287 -22.142 19.354 1.00 1.00 ATOM 196 CA ASN 234 50.336 -25.569 20.576 1.00 1.00 ATOM 197 CA PRO 235 47.805 -28.344 21.305 1.00 1.00 ATOM 198 CA GLY 236 47.094 -27.057 24.830 1.00 1.00 ATOM 199 CA GLY 237 47.609 -23.362 24.158 1.00 1.00 ATOM 200 CA ARG 238 45.609 -20.523 25.689 1.00 1.00 ATOM 201 CA ILE 239 44.605 -17.083 24.448 1.00 1.00 ATOM 202 CA VAL 240 43.326 -13.733 25.683 1.00 1.00 ATOM 203 CA VAL 241 42.275 -10.593 23.856 1.00 1.00 ATOM 204 CA ILE 242 41.115 -7.189 25.014 1.00 1.00 ATOM 205 CA SER 243 37.543 -6.957 23.737 1.00 1.00 ATOM 206 CA PHE 244 36.478 -3.392 24.537 1.00 1.00 ATOM 207 CA HIS 245 33.806 -1.859 26.734 1.00 1.00 ATOM 208 CA SER 246 30.295 -3.385 26.487 1.00 1.00 ATOM 209 CA LEU 247 28.760 0.106 26.659 1.00 1.00 ATOM 210 CA GLU 248 29.931 2.622 24.030 1.00 1.00 ATOM 211 CA ASP 249 31.460 -0.189 21.963 1.00 1.00 ATOM 212 CA ARG 250 28.915 -2.958 22.493 1.00 1.00 ATOM 214 CA ILE 251 32.635 -4.335 18.623 1.00 1.00 ATOM 215 CA VAL 252 32.597 -6.350 21.866 1.00 1.00 ATOM 216 CA LYS 253 29.948 -8.727 20.462 1.00 1.00 ATOM 217 CA GLU 254 31.784 -9.133 17.156 1.00 1.00 ATOM 218 CA THR 255 35.075 -10.031 18.854 1.00 1.00 ATOM 219 CA PHE 256 33.401 -12.619 21.088 1.00 1.00 ATOM 220 CA ARG 257 31.465 -14.106 18.150 1.00 1.00 ATOM 221 CA ASN 258 34.512 -14.476 15.905 1.00 1.00 ATOM 222 CA SER 259 36.775 -15.864 18.630 1.00 1.00 ATOM 254 CA LYS 260 38.505 -24.021 31.212 1.00 1.00 ATOM 255 CA LYS 261 39.036 -20.686 33.029 1.00 1.00 ATOM 256 CA LEU 262 37.157 -21.896 36.108 1.00 1.00 ATOM 257 CA ARG 263 37.409 -25.713 36.112 1.00 1.00 ATOM 258 CA ILE 264 41.167 -25.590 35.528 1.00 1.00 ATOM 259 CA LEU 265 41.968 -22.668 37.818 1.00 1.00 ATOM 260 CA THR 266 44.356 -23.467 40.660 1.00 1.00 ATOM 261 CA GLU 267 44.225 -20.658 43.281 1.00 1.00 ATOM 262 CA LYS 268 47.433 -21.995 44.870 1.00 1.00 ATOM 263 CA PRO 269 49.503 -20.833 41.880 1.00 1.00 ATOM 264 CA VAL 270 48.329 -17.277 42.600 1.00 1.00 ATOM 265 CA ARG 271 48.624 -17.496 46.403 1.00 1.00 ATOM 266 CA PRO 272 52.235 -18.677 46.081 1.00 1.00 ATOM 267 CA SER 273 53.178 -16.264 43.265 1.00 1.00 ATOM 268 CA GLU 274 56.564 -14.671 43.971 1.00 1.00 ATOM 269 CA GLU 275 55.874 -11.338 42.229 1.00 1.00 ATOM 270 CA GLU 276 53.889 -8.180 42.989 1.00 1.00 ATOM 271 CA ILE 277 50.253 -7.947 41.890 1.00 1.00 ATOM 272 CA ARG 278 48.286 -4.742 42.427 1.00 1.00 ATOM 273 CA GLU 279 44.913 -5.912 41.084 1.00 1.00 ATOM 274 CA ASN 280 44.751 -9.603 40.238 1.00 1.00 ATOM 275 CA PRO 281 44.210 -12.287 42.893 1.00 1.00 ATOM 276 CA ARG 282 42.454 -15.690 43.226 1.00 1.00 ATOM 277 CA ALA 283 39.041 -14.274 44.135 1.00 1.00 ATOM 278 CA ARG 284 39.191 -11.664 41.373 1.00 1.00 ATOM 279 CA SER 285 40.085 -14.327 38.786 1.00 1.00 ATOM 280 CA GLY 286 36.896 -16.287 39.481 1.00 1.00 ATOM 281 CA ARG 287 34.754 -13.192 40.026 1.00 1.00 ATOM 282 CA LEU 288 35.789 -11.655 36.693 1.00 1.00 ATOM 283 CA ARG 289 33.858 -14.351 34.838 1.00 1.00 ATOM 284 CA ALA 290 30.529 -13.411 36.483 1.00 1.00 ATOM 285 CA ALA 291 28.661 -11.374 33.866 1.00 1.00 ATOM 286 CA GLU 292 25.858 -8.874 34.598 1.00 1.00 ATOM 287 CA ARG 293 22.504 -9.638 32.957 1.00 1.00 ATOM 288 CA ILE 294 22.804 -7.008 30.212 1.00 1.00 ATOM 289 CA GLU 295 26.117 -8.498 29.088 1.00 1.00 ATOM 290 CA GLU 296 24.748 -12.060 29.140 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:12:08 2002 Date: Wed, 14 Aug 2002 10:12:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:44:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_575880_23590 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS007_3 Current information on models submitted in prediction T0172TS007 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_3 PIN_575880_23590 6269-7633-6117 08/14/02 09:44:10 casp5@bialko.llnl.gov T0172TS007_4 PIN_525801_23574 6269-7633-6117 08/14/02 09:39:02 casp5@bialko.llnl.gov T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 casp5@bialko.llnl.gov T0172TS007_3 PIN_575880_23590 6269-7633-6117 08/14/02 09:44:10 casp5@bialko.llnl.gov T0172TS007_4 PIN_525801_23574 6269-7633-6117 08/14/02 09:39:02 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1INL_D # Loading PARENT structure: 1inl (chain: D) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue P 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue R 271 # IMPORTANT NOTE! Not complete main chain atoms for residue P 272 # IMPORTANT NOTE! Not complete main chain atoms for residue S 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue E 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue N 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue R 284 # IMPORTANT NOTE! Not complete main chain atoms for residue S 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue R 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue R 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue I 294 # IMPORTANT NOTE! Not complete main chain atoms for residue E 295 # IMPORTANT NOTE! Not complete main chain atoms for residue E 296 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 160 # Total number of atoms in model: 160 # Number of atoms with 1.0 occupancy: 160 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 160 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1INL_D ATOM 83 CA ILE 17 51.332 56.929 18.475 1.00 1.00 ATOM 84 CA GLU 18 53.716 58.470 21.051 1.00 1.00 ATOM 85 CA PHE 19 56.872 57.981 18.932 1.00 1.00 ATOM 86 CA LEU 20 55.512 59.950 15.963 1.00 1.00 ATOM 87 CA LYS 21 54.062 62.644 18.232 1.00 1.00 ATOM 88 CA PRO 22 57.465 63.409 19.736 1.00 1.00 ATOM 89 CA GLU 23 59.581 66.035 17.869 1.00 1.00 ATOM 90 CA ASP 24 62.805 64.000 18.087 1.00 1.00 ATOM 91 CA GLU 25 62.656 60.843 20.290 1.00 1.00 ATOM 92 CA LYS 26 66.207 59.796 21.212 1.00 1.00 ATOM 93 CA ILE 27 65.883 58.170 24.648 1.00 1.00 ATOM 94 CA ILE 28 63.021 55.719 25.249 1.00 1.00 ATOM 95 CA LEU 29 61.993 53.578 28.234 1.00 1.00 ATOM 96 CA ASP 30 59.679 50.584 27.836 1.00 1.00 ATOM 97 CA CYS 31 58.305 49.017 31.013 1.00 1.00 ATOM 98 CA THR 32 57.192 45.429 30.505 1.00 1.00 ATOM 99 CA VAL 33 56.900 43.853 27.066 1.00 1.00 ATOM 100 CA GLY 34 59.265 40.948 27.652 1.00 1.00 ATOM 101 CA GLU 35 58.375 39.524 24.240 1.00 1.00 ATOM 102 CA GLY 36 60.170 42.482 22.642 1.00 1.00 ATOM 103 CA GLY 37 57.473 43.587 20.190 1.00 1.00 ATOM 104 CA HIS 38 57.230 47.176 21.410 1.00 1.00 ATOM 105 CA SER 39 61.032 47.466 21.411 1.00 1.00 ATOM 106 CA ARG 40 61.035 46.240 17.802 1.00 1.00 ATOM 107 CA ALA 41 58.598 48.995 16.784 1.00 1.00 ATOM 108 CA ILE 42 60.435 51.721 18.717 1.00 1.00 ATOM 109 CA LEU 43 63.700 50.779 16.970 1.00 1.00 ATOM 110 CA GLU 44 62.153 51.497 13.554 1.00 1.00 ATOM 111 CA HIS 45 62.535 55.206 14.353 1.00 1.00 ATOM 112 CA CYS 46 65.998 56.337 13.212 1.00 1.00 ATOM 113 CA PRO 47 66.040 59.136 15.810 1.00 1.00 ATOM 114 CA GLY 48 66.300 56.617 18.663 1.00 1.00 ATOM 115 CA CYS 49 69.779 56.466 20.190 1.00 1.00 ATOM 116 CA ARG 50 68.938 54.337 23.243 1.00 1.00 ATOM 117 CA ILE 51 65.894 52.216 24.110 1.00 1.00 ATOM 118 CA ILE 52 65.685 50.522 27.516 1.00 1.00 ATOM 119 CA GLY 53 63.427 47.478 27.891 1.00 1.00 ATOM 120 CA ILE 54 62.653 46.890 31.566 1.00 1.00 ATOM 121 CA ASP 55 61.172 43.422 32.185 1.00 1.00 ATOM 122 CA VAL 56 60.586 42.048 35.699 1.00 1.00 ATOM 123 CA ASP 57 60.861 38.353 34.790 1.00 1.00 ATOM 124 CA SER 58 64.217 37.188 33.472 1.00 1.00 ATOM 125 CA GLU 59 62.728 33.900 32.268 1.00 1.00 ATOM 126 CA VAL 60 60.387 35.792 29.918 1.00 1.00 ATOM 127 CA LEU 61 63.323 37.543 28.225 1.00 1.00 ATOM 128 CA ARG 62 65.240 34.281 27.783 1.00 1.00 ATOM 129 CA ILE 63 62.178 32.399 26.530 1.00 1.00 ATOM 130 CA ALA 64 61.414 35.235 24.095 1.00 1.00 ATOM 131 CA GLU 65 64.997 35.315 22.807 1.00 1.00 ATOM 132 CA GLU 66 64.928 31.570 22.110 1.00 1.00 ATOM 133 CA LYS 67 61.326 30.971 20.996 1.00 1.00 ATOM 134 CA LEU 68 59.772 34.310 19.982 1.00 1.00 ATOM 135 CA LYS 69 62.182 35.500 17.267 1.00 1.00 ATOM 136 CA GLU 70 59.467 37.550 15.533 1.00 1.00 ATOM 137 CA PHE 71 59.231 39.918 18.507 1.00 1.00 ATOM 138 CA SER 72 62.649 39.547 20.185 1.00 1.00 ATOM 144 CA ASP 73 73.298 48.176 19.865 1.00 1.00 ATOM 145 CA ARG 74 70.778 50.899 20.769 1.00 1.00 ATOM 146 CA VAL 75 68.737 48.482 22.887 1.00 1.00 ATOM 147 CA SER 76 69.432 47.850 26.563 1.00 1.00 ATOM 148 CA LEU 77 67.589 45.034 28.312 1.00 1.00 ATOM 149 CA PHE 78 67.326 45.250 32.096 1.00 1.00 ATOM 150 CA LYS 79 65.665 42.858 34.537 1.00 1.00 ATOM 151 CA VAL 80 63.906 44.795 37.286 1.00 1.00 ATOM 152 CA SER 81 60.603 45.937 38.758 1.00 1.00 ATOM 153 CA TYR 82 59.492 48.821 36.543 1.00 1.00 ATOM 154 CA ARG 83 57.964 50.788 39.422 1.00 1.00 ATOM 155 CA GLU 84 61.292 50.899 41.257 1.00 1.00 ATOM 156 CA ALA 85 63.484 51.214 38.154 1.00 1.00 ATOM 157 CA ASP 86 61.888 54.369 36.704 1.00 1.00 ATOM 158 CA PHE 87 62.709 56.204 39.962 1.00 1.00 ATOM 159 CA LEU 88 66.420 56.132 39.100 1.00 1.00 ATOM 160 CA LEU 89 65.786 58.717 36.380 1.00 1.00 ATOM 161 CA LYS 90 64.849 62.399 36.292 1.00 1.00 ATOM 162 CA GLU 95 64.537 64.486 33.103 1.00 1.00 ATOM 163 CA LYS 96 66.027 61.642 31.045 1.00 1.00 ATOM 164 CA VAL 97 63.572 60.103 28.572 1.00 1.00 ATOM 165 CA ASP 98 61.803 61.535 25.542 1.00 1.00 ATOM 166 CA GLY 99 59.259 58.697 25.547 1.00 1.00 ATOM 167 CA ILE 100 57.996 56.231 28.175 1.00 1.00 ATOM 168 CA LEU 101 55.812 53.292 27.145 1.00 1.00 ATOM 169 CA MET 102 54.057 50.991 29.628 1.00 1.00 ATOM 170 CA ASP 103 53.647 47.555 28.034 1.00 1.00 ATOM 171 CA LEU 104 52.267 45.778 31.111 1.00 1.00 ATOM 183 CA ASN 221 49.676 51.240 38.234 1.00 1.00 ATOM 184 CA LEU 222 49.548 53.756 41.103 1.00 1.00 ATOM 185 CA LYS 223 49.460 57.563 40.927 1.00 1.00 ATOM 186 CA GLU 224 52.901 57.430 42.563 1.00 1.00 ATOM 187 CA PHE 225 54.201 55.360 39.635 1.00 1.00 ATOM 188 CA LEU 226 52.737 57.680 36.989 1.00 1.00 ATOM 189 CA LYS 227 54.294 60.663 38.778 1.00 1.00 ATOM 190 CA LYS 228 57.661 58.881 38.651 1.00 1.00 ATOM 191 CA ALA 229 57.190 58.462 34.893 1.00 1.00 ATOM 192 CA GLU 230 56.352 62.168 34.556 1.00 1.00 ATOM 193 CA ASP 231 59.521 63.059 36.476 1.00 1.00 ATOM 194 CA LEU 232 61.670 60.649 34.438 1.00 1.00 ATOM 195 CA LEU 233 60.513 62.361 31.244 1.00 1.00 ATOM 196 CA ASN 234 62.078 65.518 29.818 1.00 1.00 ATOM 197 CA PRO 235 60.110 68.793 29.724 1.00 1.00 ATOM 198 CA GLY 236 58.532 67.844 26.374 1.00 1.00 ATOM 199 CA GLY 237 58.369 64.078 26.860 1.00 1.00 ATOM 200 CA ARG 238 55.455 61.877 25.793 1.00 1.00 ATOM 201 CA ILE 239 53.853 58.786 27.339 1.00 1.00 ATOM 202 CA VAL 240 51.692 55.813 26.341 1.00 1.00 ATOM 203 CA VAL 241 50.297 52.919 28.349 1.00 1.00 ATOM 204 CA ILE 242 48.117 49.956 27.496 1.00 1.00 ATOM 205 CA SER 243 44.897 50.387 29.461 1.00 1.00 ATOM 206 CA PHE 244 43.003 47.145 28.763 1.00 1.00 ATOM 207 CA HIS 245 39.607 46.510 27.180 1.00 1.00 ATOM 208 CA SER 246 36.698 48.757 28.279 1.00 1.00 ATOM 209 CA LEU 247 34.513 45.638 28.480 1.00 1.00 ATOM 210 CA GLU 248 35.632 42.739 30.711 1.00 1.00 ATOM 211 CA ASP 249 38.266 44.945 32.322 1.00 1.00 ATOM 212 CA ARG 250 36.273 48.170 32.617 1.00 1.00 ATOM 214 CA ILE 251 41.079 48.630 35.479 1.00 1.00 ATOM 215 CA VAL 252 40.518 50.836 32.418 1.00 1.00 ATOM 216 CA LYS 253 38.763 53.568 34.417 1.00 1.00 ATOM 217 CA GLU 254 41.304 53.445 37.254 1.00 1.00 ATOM 218 CA THR 255 44.316 53.745 34.946 1.00 1.00 ATOM 219 CA PHE 256 42.796 56.721 33.129 1.00 1.00 ATOM 220 CA ARG 257 41.894 58.524 36.368 1.00 1.00 ATOM 221 CA ASN 258 45.383 58.095 37.837 1.00 1.00 ATOM 222 CA SER 259 47.235 59.076 34.645 1.00 1.00 ATOM 254 CA LYS 260 48.330 67.280 21.734 1.00 1.00 ATOM 255 CA LYS 261 47.684 63.887 20.010 1.00 1.00 ATOM 256 CA LEU 262 45.613 65.509 17.260 1.00 1.00 ATOM 257 CA ARG 263 46.617 69.185 17.111 1.00 1.00 ATOM 258 CA ILE 264 50.362 68.448 17.147 1.00 1.00 ATOM 259 CA LEU 265 50.239 65.434 14.825 1.00 1.00 ATOM 260 CA THR 266 52.199 65.672 11.564 1.00 1.00 ATOM 261 CA GLU 267 50.866 63.086 9.049 1.00 1.00 ATOM 262 CA LYS 268 53.814 63.750 6.721 1.00 1.00 ATOM 263 CA PRO 269 56.192 62.082 9.182 1.00 1.00 ATOM 264 CA VAL 270 54.141 58.885 8.838 1.00 1.00 ATOM 265 CA ARG 271 53.795 59.117 5.045 1.00 1.00 ATOM 266 CA PRO 272 57.565 59.555 4.681 1.00 1.00 ATOM 267 CA SER 273 58.312 56.714 7.127 1.00 1.00 ATOM 268 CA GLU 274 60.998 54.470 5.622 1.00 1.00 ATOM 269 CA GLU 275 59.905 51.358 7.548 1.00 1.00 ATOM 270 CA GLU 276 57.167 48.714 7.351 1.00 1.00 ATOM 271 CA ILE 277 53.845 49.332 9.116 1.00 1.00 ATOM 272 CA ARG 278 51.160 46.639 9.020 1.00 1.00 ATOM 273 CA GLU 279 48.468 48.496 10.978 1.00 1.00 ATOM 274 CA ASN 280 49.359 52.079 11.874 1.00 1.00 ATOM 275 CA PRO 281 48.992 54.956 9.390 1.00 1.00 ATOM 276 CA ARG 282 48.070 58.665 9.425 1.00 1.00 ATOM 277 CA ALA 283 44.283 58.233 9.223 1.00 1.00 ATOM 278 CA ARG 284 44.263 55.471 11.856 1.00 1.00 ATOM 279 CA SER 285 46.274 57.664 14.229 1.00 1.00 ATOM 280 CA GLY 286 43.580 60.359 14.182 1.00 1.00 ATOM 281 CA ARG 287 40.661 57.909 14.044 1.00 1.00 ATOM 282 CA LEU 288 41.886 55.954 17.073 1.00 1.00 ATOM 283 CA ARG 289 41.084 58.935 19.305 1.00 1.00 ATOM 284 CA ALA 290 37.380 58.929 18.374 1.00 1.00 ATOM 285 CA ALA 291 35.618 57.231 21.295 1.00 1.00 ATOM 286 CA GLU 292 32.197 55.524 21.121 1.00 1.00 ATOM 287 CA ARG 293 29.548 56.975 23.443 1.00 1.00 ATOM 288 CA ILE 294 29.723 54.168 26.014 1.00 1.00 ATOM 289 CA GLU 295 33.473 54.710 26.433 1.00 1.00 ATOM 290 CA GLU 296 33.064 58.487 26.795 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:07:08 2002 Date: Wed, 14 Aug 2002 10:07:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:39:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_525801_23574 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS007_4 Current information on models submitted in prediction T0172TS007 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_4 PIN_525801_23574 6269-7633-6117 08/14/02 09:39:02 casp5@bialko.llnl.gov T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_1 PIN_476223_23564 6269-7633-6117 08/14/02 09:34:09 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 casp5@bialko.llnl.gov T0172TS007_4 PIN_525801_23574 6269-7633-6117 08/14/02 09:39:02 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JQ3_A # Loading PARENT structure: 1jq3 (chain: A) # Number of residues in PARENT structure: 295 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue R 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue P 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue R 271 # IMPORTANT NOTE! Not complete main chain atoms for residue P 272 # IMPORTANT NOTE! Not complete main chain atoms for residue S 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue E 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue N 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue R 284 # IMPORTANT NOTE! Not complete main chain atoms for residue S 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue R 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue R 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue I 294 # IMPORTANT NOTE! Not complete main chain atoms for residue E 295 # IMPORTANT NOTE! Not complete main chain atoms for residue E 296 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 171 # Total number of atoms in model: 171 # Number of atoms with 1.0 occupancy: 171 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 171 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JQ3_A ATOM 83 CA ILE 17 26.033 55.160 9.058 1.00 1.00 ATOM 84 CA GLU 18 23.698 54.820 6.033 1.00 1.00 ATOM 85 CA PHE 19 20.676 56.306 7.803 1.00 1.00 ATOM 86 CA LEU 20 22.478 59.553 8.700 1.00 1.00 ATOM 87 CA LYS 21 24.094 59.799 5.254 1.00 1.00 ATOM 88 CA PRO 22 20.788 59.634 3.407 1.00 1.00 ATOM 89 CA GLU 23 19.172 63.090 2.820 1.00 1.00 ATOM 90 CA ASP 24 15.677 61.973 3.912 1.00 1.00 ATOM 91 CA GLU 25 15.279 58.221 4.508 1.00 1.00 ATOM 92 CA LYS 26 11.575 57.342 4.356 1.00 1.00 ATOM 93 CA ILE 27 11.405 53.719 3.102 1.00 1.00 ATOM 94 CA ILE 28 13.922 51.192 4.422 1.00 1.00 ATOM 95 CA LEU 29 14.480 47.514 3.735 1.00 1.00 ATOM 96 CA ASP 30 16.462 45.384 6.160 1.00 1.00 ATOM 97 CA CYS 31 17.442 41.895 4.982 1.00 1.00 ATOM 98 CA THR 32 18.102 39.423 7.792 1.00 1.00 ATOM 99 CA VAL 33 18.147 40.756 11.367 1.00 1.00 ATOM 100 CA GLY 34 15.380 38.589 12.776 1.00 1.00 ATOM 101 CA GLU 35 16.476 39.642 16.267 1.00 1.00 ATOM 102 CA GLY 36 15.196 43.137 15.379 1.00 1.00 ATOM 103 CA GLY 37 18.201 45.181 16.538 1.00 1.00 ATOM 104 CA HIS 38 18.830 46.927 13.232 1.00 1.00 ATOM 105 CA SER 39 15.101 47.627 12.873 1.00 1.00 ATOM 106 CA ARG 40 15.177 49.191 16.338 1.00 1.00 ATOM 107 CA ALA 41 18.009 51.559 15.305 1.00 1.00 ATOM 108 CA ILE 42 16.474 52.433 11.930 1.00 1.00 ATOM 109 CA LEU 43 13.182 53.292 13.679 1.00 1.00 ATOM 110 CA GLU 44 14.961 55.916 15.800 1.00 1.00 ATOM 111 CA HIS 45 15.037 58.080 12.667 1.00 1.00 ATOM 112 CA CYS 46 11.917 60.256 12.540 1.00 1.00 ATOM 113 CA PRO 47 11.977 60.524 8.725 1.00 1.00 ATOM 114 CA GLY 48 11.195 56.814 8.449 1.00 1.00 ATOM 115 CA CYS 49 7.655 56.109 7.305 1.00 1.00 ATOM 116 CA ARG 50 8.074 52.408 6.426 1.00 1.00 ATOM 117 CA ILE 51 10.703 49.872 7.569 1.00 1.00 ATOM 118 CA ILE 52 10.493 46.366 6.138 1.00 1.00 ATOM 119 CA GLY 53 12.232 43.536 7.984 1.00 1.00 ATOM 120 CA ILE 54 12.759 40.584 5.635 1.00 1.00 ATOM 121 CA ASP 55 13.804 37.558 7.676 1.00 1.00 ATOM 122 CA VAL 56 13.999 34.084 6.134 1.00 1.00 ATOM 123 CA ASP 57 13.181 32.154 9.293 1.00 1.00 ATOM 124 CA SER 58 9.804 32.669 10.910 1.00 1.00 ATOM 125 CA GLU 59 10.951 30.845 14.035 1.00 1.00 ATOM 126 CA VAL 60 13.680 33.476 14.548 1.00 1.00 ATOM 127 CA LEU 61 11.036 36.233 14.499 1.00 1.00 ATOM 128 CA ARG 62 8.834 34.301 16.949 1.00 1.00 ATOM 129 CA ILE 63 11.738 33.524 19.263 1.00 1.00 ATOM 130 CA ALA 64 12.967 37.123 19.162 1.00 1.00 ATOM 131 CA GLU 65 9.466 38.465 19.904 1.00 1.00 ATOM 132 CA GLU 66 9.210 36.237 22.974 1.00 1.00 ATOM 133 CA LYS 67 12.732 36.068 24.396 1.00 1.00 ATOM 134 CA LEU 68 14.788 38.952 22.949 1.00 1.00 ATOM 135 CA LYS 69 12.674 41.979 23.899 1.00 1.00 ATOM 136 CA GLU 70 15.715 44.256 24.055 1.00 1.00 ATOM 137 CA PHE 71 16.140 43.942 20.277 1.00 1.00 ATOM 138 CA SER 72 12.611 43.070 19.138 1.00 1.00 ATOM 144 CA ASP 73 3.207 50.924 13.282 1.00 1.00 ATOM 145 CA ARG 74 5.837 51.706 10.635 1.00 1.00 ATOM 146 CA VAL 75 7.491 48.268 10.856 1.00 1.00 ATOM 147 CA SER 76 6.422 45.471 8.520 1.00 1.00 ATOM 148 CA LEU 77 7.821 41.960 8.998 1.00 1.00 ATOM 149 CA PHE 78 8.120 39.723 5.945 1.00 1.00 ATOM 150 CA LYS 79 9.157 36.072 6.104 1.00 1.00 ATOM 151 CA VAL 80 11.111 35.463 2.915 1.00 1.00 ATOM 152 CA SER 81 14.541 34.829 1.409 1.00 1.00 ATOM 153 CA TYR 82 15.953 38.333 0.915 1.00 1.00 ATOM 154 CA ARG 83 17.729 37.421 -2.330 1.00 1.00 ATOM 155 CA GLU 84 14.378 36.496 -3.853 1.00 1.00 ATOM 156 CA ALA 85 12.362 39.224 -2.081 1.00 1.00 ATOM 157 CA ASP 86 14.443 42.268 -3.168 1.00 1.00 ATOM 158 CA PHE 87 14.169 41.359 -6.889 1.00 1.00 ATOM 159 CA LEU 88 10.447 42.140 -6.740 1.00 1.00 ATOM 160 CA LEU 89 11.205 45.862 -6.356 1.00 1.00 ATOM 161 CA LYS 90 12.733 48.621 -8.496 1.00 1.00 ATOM 162 CA GLU 95 13.269 52.301 -7.614 1.00 1.00 ATOM 163 CA LYS 96 11.510 51.644 -4.289 1.00 1.00 ATOM 164 CA VAL 97 13.774 52.039 -1.240 1.00 1.00 ATOM 165 CA ASP 98 15.864 54.858 0.183 1.00 1.00 ATOM 166 CA GLY 99 18.045 52.525 2.249 1.00 1.00 ATOM 167 CA ILE 100 18.799 48.800 2.140 1.00 1.00 ATOM 168 CA LEU 101 20.715 47.207 5.008 1.00 1.00 ATOM 169 CA MET 102 22.042 43.621 4.883 1.00 1.00 ATOM 170 CA ASP 103 22.071 42.142 8.411 1.00 1.00 ATOM 171 CA LEU 104 23.007 38.575 7.482 1.00 1.00 ATOM 172 CA GLY 105 24.526 35.472 9.052 1.00 1.00 ATOM 173 CA VAL 106 27.916 34.213 7.815 1.00 1.00 ATOM 174 CA SER 107 27.791 33.224 4.076 1.00 1.00 ATOM 175 CA THR 108 28.412 29.599 5.088 1.00 1.00 ATOM 176 CA TYR 109 25.833 29.725 7.931 1.00 1.00 ATOM 177 CA GLN 110 22.119 29.021 7.396 1.00 1.00 ATOM 178 CA ASN 216 20.449 30.755 4.437 1.00 1.00 ATOM 179 CA ARG 217 23.408 33.125 4.294 1.00 1.00 ATOM 180 CA GLU 218 25.389 33.013 1.073 1.00 1.00 ATOM 181 CA LEU 219 22.328 33.760 -1.035 1.00 1.00 ATOM 182 CA GLU 220 22.880 37.350 0.192 1.00 1.00 ATOM 183 CA ASN 221 26.450 37.528 -1.142 1.00 1.00 ATOM 184 CA LEU 222 26.077 37.256 -4.942 1.00 1.00 ATOM 185 CA LYS 223 27.029 40.040 -7.393 1.00 1.00 ATOM 186 CA GLU 224 23.576 39.515 -8.896 1.00 1.00 ATOM 187 CA PHE 225 22.047 40.026 -5.457 1.00 1.00 ATOM 188 CA LEU 226 23.903 43.305 -4.980 1.00 1.00 ATOM 189 CA LYS 227 22.746 44.397 -8.432 1.00 1.00 ATOM 190 CA LYS 228 19.169 43.591 -7.353 1.00 1.00 ATOM 191 CA ALA 229 19.679 45.790 -4.272 1.00 1.00 ATOM 192 CA GLU 230 21.066 48.590 -6.459 1.00 1.00 ATOM 193 CA ASP 231 18.058 48.292 -8.794 1.00 1.00 ATOM 194 CA LEU 232 15.637 48.265 -5.856 1.00 1.00 ATOM 195 CA LEU 233 17.026 51.537 -4.464 1.00 1.00 ATOM 196 CA ASN 234 15.884 54.946 -5.716 1.00 1.00 ATOM 197 CA PRO 235 18.270 57.333 -7.538 1.00 1.00 ATOM 198 CA GLY 236 19.894 58.739 -4.377 1.00 1.00 ATOM 199 CA GLY 237 19.638 55.546 -2.323 1.00 1.00 ATOM 200 CA ARG 238 22.203 54.262 0.148 1.00 1.00 ATOM 201 CA ILE 239 23.262 50.816 1.344 1.00 1.00 ATOM 202 CA VAL 240 25.160 48.988 4.111 1.00 1.00 ATOM 203 CA VAL 241 25.996 45.328 4.662 1.00 1.00 ATOM 204 CA ILE 242 27.827 43.518 7.428 1.00 1.00 ATOM 205 CA SER 243 31.011 42.168 5.798 1.00 1.00 ATOM 206 CA PHE 244 32.543 40.005 8.557 1.00 1.00 ATOM 207 CA HIS 245 35.854 40.176 10.399 1.00 1.00 ATOM 208 CA SER 246 38.968 40.711 8.193 1.00 1.00 ATOM 209 CA LEU 247 40.746 38.071 10.288 1.00 1.00 ATOM 210 CA GLU 248 39.154 34.604 10.534 1.00 1.00 ATOM 211 CA ASP 249 36.821 35.482 7.655 1.00 1.00 ATOM 212 CA ARG 250 39.216 37.382 5.402 1.00 1.00 ATOM 214 CA ILE 251 34.440 36.406 2.440 1.00 1.00 ATOM 215 CA VAL 252 35.319 39.945 3.535 1.00 1.00 ATOM 216 CA LYS 253 37.402 40.454 0.381 1.00 1.00 ATOM 217 CA GLU 254 34.774 38.802 -1.848 1.00 1.00 ATOM 218 CA THR 255 31.873 40.850 -0.449 1.00 1.00 ATOM 219 CA PHE 256 33.818 44.084 -1.001 1.00 1.00 ATOM 220 CA ARG 257 34.707 43.131 -4.586 1.00 1.00 ATOM 221 CA ASN 258 31.135 42.271 -5.559 1.00 1.00 ATOM 222 CA SER 259 29.591 45.380 -3.983 1.00 1.00 ATOM 254 CA LYS 260 30.170 60.046 -0.147 1.00 1.00 ATOM 255 CA LYS 261 30.350 58.729 3.472 1.00 1.00 ATOM 256 CA LEU 262 32.783 61.457 4.518 1.00 1.00 ATOM 257 CA ARG 263 32.266 64.385 2.115 1.00 1.00 ATOM 258 CA ILE 264 28.485 64.307 2.423 1.00 1.00 ATOM 259 CA LEU 265 28.286 63.667 6.168 1.00 1.00 ATOM 260 CA THR 266 26.548 66.401 8.192 1.00 1.00 ATOM 261 CA GLU 267 27.696 65.943 11.825 1.00 1.00 ATOM 262 CA LYS 268 24.942 68.278 13.001 1.00 1.00 ATOM 263 CA PRO 269 22.401 65.531 12.188 1.00 1.00 ATOM 264 CA VAL 270 24.079 63.301 14.799 1.00 1.00 ATOM 265 CA ARG 271 24.763 66.064 17.341 1.00 1.00 ATOM 266 CA PRO 272 21.086 66.954 17.266 1.00 1.00 ATOM 267 CA SER 273 19.685 63.413 17.171 1.00 1.00 ATOM 268 CA GLU 274 16.790 63.071 19.589 1.00 1.00 ATOM 269 CA GLU 275 17.370 59.398 20.458 1.00 1.00 ATOM 270 CA GLU 276 19.849 57.448 22.591 1.00 1.00 ATOM 271 CA ILE 277 23.115 56.287 20.980 1.00 1.00 ATOM 272 CA ARG 278 25.411 54.092 23.096 1.00 1.00 ATOM 273 CA GLU 279 28.212 53.744 20.558 1.00 1.00 ATOM 274 CA ASN 280 27.734 55.815 17.420 1.00 1.00 ATOM 275 CA PRO 281 28.594 59.528 17.332 1.00 1.00 ATOM 276 CA ARG 282 29.933 62.172 14.905 1.00 1.00 ATOM 277 CA ALA 283 33.620 61.373 15.573 1.00 1.00 ATOM 278 CA ARG 284 33.145 57.617 15.344 1.00 1.00 ATOM 279 CA SER 285 31.353 57.972 12.005 1.00 1.00 ATOM 280 CA GLY 286 34.361 59.564 10.325 1.00 1.00 ATOM 281 CA ARG 287 36.854 57.506 12.335 1.00 1.00 ATOM 282 CA LEU 288 35.328 54.165 11.372 1.00 1.00 ATOM 283 CA ARG 289 36.431 54.691 7.766 1.00 1.00 ATOM 284 CA ALA 290 40.119 54.782 8.717 1.00 1.00 ATOM 285 CA ALA 291 41.545 51.388 7.793 1.00 1.00 ATOM 286 CA GLU 292 44.688 49.773 9.277 1.00 1.00 ATOM 287 CA ARG 293 47.374 48.919 6.710 1.00 1.00 ATOM 288 CA ILE 294 46.766 45.142 6.622 1.00 1.00 ATOM 289 CA GLU 295 43.084 45.795 5.803 1.00 1.00 ATOM 290 CA GLU 296 43.986 48.307 3.076 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:01:29 2002 Date: Wed, 14 Aug 2002 10:01:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:33:50 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_469987_23563 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS007_5 Current information on models submitted in prediction T0172TS007 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS007_2 PIN_466788_23561 6269-7633-6117 08/14/02 09:33:12 casp5@bialko.llnl.gov T0172TS007_5 PIN_469987_23563 6269-7633-6117 08/14/02 09:33:50 casp5@bialko.llnl.gov T0172SS007_1 PIN_278306_19728 6269-7633-6117 08/07/02 20:15:22 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 T0172 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JQ3_B # Loading PARENT structure: 1jq3 (chain: B) # Number of residues in PARENT structure: 286 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue P 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue R 271 # IMPORTANT NOTE! Not complete main chain atoms for residue P 272 # IMPORTANT NOTE! Not complete main chain atoms for residue S 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue E 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue N 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue R 284 # IMPORTANT NOTE! Not complete main chain atoms for residue S 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue R 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue R 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue I 294 # IMPORTANT NOTE! Not complete main chain atoms for residue E 295 # IMPORTANT NOTE! Not complete main chain atoms for residue E 296 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JQ3_B ATOM 83 CA ILE 17 22.369 -6.920 47.822 1.00 1.00 ATOM 84 CA GLU 18 20.780 -6.012 51.196 1.00 1.00 ATOM 85 CA PHE 19 17.179 -6.763 50.162 1.00 1.00 ATOM 86 CA LEU 20 17.913 -10.353 49.090 1.00 1.00 ATOM 87 CA LYS 21 20.133 -10.951 52.134 1.00 1.00 ATOM 88 CA PRO 22 17.366 -10.010 54.567 1.00 1.00 ATOM 89 CA GLU 23 15.155 -13.000 55.440 1.00 1.00 ATOM 90 CA ASP 24 11.848 -11.052 55.142 1.00 1.00 ATOM 91 CA GLU 25 12.226 -7.309 54.516 1.00 1.00 ATOM 92 CA LYS 26 8.974 -5.526 55.342 1.00 1.00 ATOM 93 CA ILE 27 10.003 -2.059 56.545 1.00 1.00 ATOM 94 CA ILE 28 12.704 -0.197 54.613 1.00 1.00 ATOM 95 CA LEU 29 14.227 3.245 55.099 1.00 1.00 ATOM 96 CA ASP 30 16.095 4.868 52.205 1.00 1.00 ATOM 97 CA CYS 31 18.049 8.057 52.961 1.00 1.00 ATOM 98 CA THR 32 18.815 10.285 49.990 1.00 1.00 ATOM 99 CA VAL 33 17.596 8.758 46.719 1.00 1.00 ATOM 100 CA GLY 34 15.539 11.750 45.628 1.00 1.00 ATOM 101 CA GLU 35 15.479 10.486 42.033 1.00 1.00 ATOM 102 CA GLY 36 13.586 7.406 43.207 1.00 1.00 ATOM 103 CA GLY 37 15.777 4.700 41.650 1.00 1.00 ATOM 104 CA HIS 38 16.613 2.890 44.879 1.00 1.00 ATOM 105 CA SER 39 12.949 3.121 45.941 1.00 1.00 ATOM 106 CA ARG 40 11.943 1.567 42.595 1.00 1.00 ATOM 107 CA ALA 41 14.283 -1.391 43.103 1.00 1.00 ATOM 108 CA ILE 42 13.265 -1.935 46.741 1.00 1.00 ATOM 109 CA LEU 43 9.588 -1.964 45.712 1.00 1.00 ATOM 110 CA GLU 44 10.233 -4.960 43.422 1.00 1.00 ATOM 111 CA HIS 45 10.505 -7.119 46.556 1.00 1.00 ATOM 112 CA CYS 46 7.002 -8.425 47.388 1.00 1.00 ATOM 113 CA PRO 47 7.709 -8.675 51.140 1.00 1.00 ATOM 114 CA GLY 48 7.943 -4.881 51.437 1.00 1.00 ATOM 115 CA CYS 49 5.039 -3.308 53.336 1.00 1.00 ATOM 116 CA ARG 50 6.450 0.175 53.807 1.00 1.00 ATOM 117 CA ILE 51 9.359 1.979 52.180 1.00 1.00 ATOM 118 CA ILE 52 10.191 5.430 53.489 1.00 1.00 ATOM 119 CA GLY 53 12.173 7.725 51.181 1.00 1.00 ATOM 120 CA ILE 54 13.823 10.398 53.308 1.00 1.00 ATOM 121 CA ASP 55 15.062 13.188 51.020 1.00 1.00 ATOM 122 CA VAL 56 16.474 16.458 52.382 1.00 1.00 ATOM 123 CA ASP 57 15.495 18.622 49.377 1.00 1.00 ATOM 124 CA SER 58 11.845 18.826 48.366 1.00 1.00 ATOM 125 CA GLU 59 12.820 20.402 45.026 1.00 1.00 ATOM 126 CA VAL 60 14.652 17.200 44.086 1.00 1.00 ATOM 127 CA LEU 61 11.489 15.172 44.755 1.00 1.00 ATOM 128 CA ARG 62 9.333 17.526 42.681 1.00 1.00 ATOM 129 CA ILE 63 11.855 17.671 39.814 1.00 1.00 ATOM 130 CA ALA 64 12.185 13.871 39.824 1.00 1.00 ATOM 131 CA GLU 65 8.418 13.401 39.839 1.00 1.00 ATOM 132 CA GLU 66 8.033 15.653 36.800 1.00 1.00 ATOM 133 CA LYS 67 11.160 14.998 34.727 1.00 1.00 ATOM 134 CA LEU 68 12.731 11.705 35.865 1.00 1.00 ATOM 135 CA LYS 69 9.821 9.319 35.358 1.00 1.00 ATOM 136 CA GLU 70 12.065 6.319 34.806 1.00 1.00 ATOM 137 CA PHE 71 13.290 6.489 38.418 1.00 1.00 ATOM 138 CA SER 72 10.439 8.290 40.224 1.00 1.00 ATOM 144 CA ASP 73 0.930 3.052 48.397 1.00 1.00 ATOM 145 CA ARG 74 3.845 1.307 50.114 1.00 1.00 ATOM 146 CA VAL 75 6.064 4.344 49.532 1.00 1.00 ATOM 147 CA SER 76 6.206 7.254 51.973 1.00 1.00 ATOM 148 CA LEU 77 8.192 10.353 51.013 1.00 1.00 ATOM 149 CA PHE 78 9.555 12.415 53.895 1.00 1.00 ATOM 150 CA LYS 79 11.403 15.708 53.415 1.00 1.00 ATOM 151 CA VAL 80 14.027 15.717 56.178 1.00 1.00 ATOM 152 CA SER 81 17.725 15.470 56.974 1.00 1.00 ATOM 153 CA TYR 82 18.284 11.711 57.154 1.00 1.00 ATOM 154 CA ARG 83 20.695 12.000 60.084 1.00 1.00 ATOM 155 CA GLU 84 17.970 13.763 62.116 1.00 1.00 ATOM 156 CA ALA 85 15.101 11.621 60.853 1.00 1.00 ATOM 157 CA ASP 86 16.667 8.229 61.579 1.00 1.00 ATOM 158 CA PHE 87 17.319 8.999 65.252 1.00 1.00 ATOM 159 CA LEU 88 13.545 9.185 65.812 1.00 1.00 ATOM 160 CA LEU 89 13.483 5.392 65.491 1.00 1.00 ATOM 161 CA LYS 90 14.612 2.393 67.529 1.00 1.00 ATOM 162 CA GLU 95 14.277 -1.294 66.613 1.00 1.00 ATOM 163 CA LYS 96 12.029 -0.258 63.717 1.00 1.00 ATOM 164 CA VAL 97 13.461 -1.114 60.290 1.00 1.00 ATOM 165 CA ASP 98 14.497 -4.336 58.585 1.00 1.00 ATOM 166 CA GLY 99 16.664 -2.548 56.022 1.00 1.00 ATOM 167 CA ILE 100 18.359 0.842 55.803 1.00 1.00 ATOM 168 CA LEU 101 19.990 2.067 52.572 1.00 1.00 ATOM 169 CA MET 102 22.064 5.232 52.275 1.00 1.00 ATOM 170 CA ASP 103 21.926 6.566 48.695 1.00 1.00 ATOM 171 CA LEU 104 24.263 9.317 47.256 1.00 1.00 ATOM 181 CA LEU 219 25.822 14.529 57.907 1.00 1.00 ATOM 182 CA GLU 220 25.229 11.050 56.445 1.00 1.00 ATOM 183 CA ASN 221 28.791 9.851 57.031 1.00 1.00 ATOM 184 CA LEU 222 29.526 10.330 60.769 1.00 1.00 ATOM 185 CA LYS 223 30.048 7.512 63.276 1.00 1.00 ATOM 186 CA GLU 224 27.074 8.802 65.299 1.00 1.00 ATOM 187 CA PHE 225 24.924 8.673 62.169 1.00 1.00 ATOM 188 CA LEU 226 25.884 5.042 61.516 1.00 1.00 ATOM 189 CA LYS 227 25.203 4.253 65.177 1.00 1.00 ATOM 190 CA LYS 228 21.752 5.860 64.791 1.00 1.00 ATOM 191 CA ALA 229 21.079 3.587 61.781 1.00 1.00 ATOM 192 CA GLU 230 22.208 0.589 63.821 1.00 1.00 ATOM 193 CA ASP 231 19.869 1.529 66.705 1.00 1.00 ATOM 194 CA LEU 232 16.986 2.111 64.252 1.00 1.00 ATOM 195 CA LEU 233 17.321 -1.365 62.724 1.00 1.00 ATOM 196 CA ASN 234 15.712 -4.469 64.207 1.00 1.00 ATOM 197 CA PRO 235 17.876 -7.225 65.762 1.00 1.00 ATOM 198 CA GLY 236 18.337 -8.928 62.369 1.00 1.00 ATOM 199 CA GLY 237 18.382 -5.784 60.239 1.00 1.00 ATOM 200 CA ARG 238 20.700 -5.182 57.283 1.00 1.00 ATOM 201 CA ILE 239 22.262 -2.074 55.789 1.00 1.00 ATOM 202 CA VAL 240 23.967 -0.775 52.646 1.00 1.00 ATOM 203 CA VAL 241 25.531 2.595 51.886 1.00 1.00 ATOM 204 CA ILE 242 27.062 3.856 48.679 1.00 1.00 ATOM 205 CA SER 243 30.722 4.415 49.569 1.00 1.00 ATOM 206 CA PHE 244 32.220 6.115 46.489 1.00 1.00 ATOM 207 CA HIS 245 35.016 5.221 44.087 1.00 1.00 ATOM 208 CA SER 246 38.268 3.997 45.688 1.00 1.00 ATOM 209 CA LEU 247 40.177 6.129 43.144 1.00 1.00 ATOM 210 CA GLU 248 39.391 9.877 43.095 1.00 1.00 ATOM 211 CA ASP 249 37.519 9.651 46.397 1.00 1.00 ATOM 212 CA ARG 250 39.822 7.227 48.202 1.00 1.00 ATOM 214 CA ILE 251 36.224 9.330 51.879 1.00 1.00 ATOM 215 CA VAL 252 35.966 5.646 50.868 1.00 1.00 ATOM 216 CA LYS 253 38.405 4.679 53.617 1.00 1.00 ATOM 217 CA GLU 254 36.768 6.911 56.199 1.00 1.00 ATOM 218 CA THR 255 33.256 5.588 55.483 1.00 1.00 ATOM 219 CA PHE 256 34.418 1.988 55.787 1.00 1.00 ATOM 220 CA ARG 257 36.247 2.681 59.068 1.00 1.00 ATOM 221 CA ASN 258 33.256 4.452 60.607 1.00 1.00 ATOM 222 CA SER 259 30.719 1.839 59.487 1.00 1.00 ATOM 254 CA LYS 260 26.935 -12.665 56.338 1.00 1.00 ATOM 255 CA LYS 261 26.651 -11.465 52.687 1.00 1.00 ATOM 256 CA LEU 262 28.241 -14.635 51.317 1.00 1.00 ATOM 257 CA ARG 263 27.543 -17.331 53.897 1.00 1.00 ATOM 258 CA ILE 264 23.873 -16.426 54.357 1.00 1.00 ATOM 259 CA LEU 265 23.162 -15.681 50.683 1.00 1.00 ATOM 260 CA THR 266 20.467 -17.826 49.076 1.00 1.00 ATOM 261 CA GLU 267 21.006 -17.883 45.255 1.00 1.00 ATOM 262 CA LYS 268 17.578 -19.452 44.745 1.00 1.00 ATOM 263 CA PRO 269 15.784 -16.300 45.959 1.00 1.00 ATOM 264 CA VAL 270 17.422 -14.427 43.104 1.00 1.00 ATOM 265 CA ARG 271 17.044 -17.169 40.501 1.00 1.00 ATOM 266 CA PRO 272 13.298 -17.293 41.255 1.00 1.00 ATOM 267 CA SER 273 12.769 -13.522 41.521 1.00 1.00 ATOM 268 CA GLU 274 9.716 -12.472 39.491 1.00 1.00 ATOM 269 CA GLU 275 10.865 -8.953 38.595 1.00 1.00 ATOM 270 CA GLU 276 13.211 -7.574 35.965 1.00 1.00 ATOM 271 CA ILE 277 16.904 -7.244 36.811 1.00 1.00 ATOM 272 CA ARG 278 19.223 -5.717 34.226 1.00 1.00 ATOM 273 CA GLU 279 22.474 -5.997 36.185 1.00 1.00 ATOM 274 CA ASN 280 22.138 -7.957 39.432 1.00 1.00 ATOM 275 CA PRO 281 22.145 -11.759 39.516 1.00 1.00 ATOM 276 CA ARG 282 23.343 -14.542 41.842 1.00 1.00 ATOM 277 CA ALA 283 26.862 -14.795 40.361 1.00 1.00 ATOM 278 CA ARG 284 27.334 -11.032 40.494 1.00 1.00 ATOM 279 CA SER 285 26.142 -10.910 44.141 1.00 1.00 ATOM 280 CA GLY 286 28.996 -13.157 45.287 1.00 1.00 ATOM 281 CA ARG 287 31.537 -11.782 42.787 1.00 1.00 ATOM 282 CA LEU 288 30.968 -8.163 43.862 1.00 1.00 ATOM 283 CA ARG 289 32.551 -8.950 47.226 1.00 1.00 ATOM 284 CA ALA 290 35.894 -9.942 45.632 1.00 1.00 ATOM 285 CA ALA 291 38.197 -6.956 46.154 1.00 1.00 ATOM 286 CA GLU 292 41.271 -6.242 44.000 1.00 1.00 ATOM 287 CA ARG 293 44.578 -6.055 45.930 1.00 1.00 ATOM 288 CA ILE 294 44.914 -2.232 45.882 1.00 1.00 ATOM 289 CA GLU 295 41.466 -1.942 47.507 1.00 1.00 ATOM 290 CA GLU 296 42.278 -4.569 50.139 1.00 1.00 TER END ################################ # # # END # # # ################################