From mailer@bialko.llnl.gov Mon Jun 24 08:47:28 2002 Date: Mon, 24 Jun 2002 08:47:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jun 24 08:20:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_319207_10887 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140SS007_1 Current information on models submitted in prediction T0140SS007 MODEL_INDEX PIN CODE DATE E-mail T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 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: 103 # Number of residues with nonzero confidence: 103 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0140 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-19357.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-18535//target-align-18535.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 366.84 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-19357.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc53.25474/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: Thu Jun 20 12:13:43 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-18535//target-align-18535.a2m METHOD METHOD guide seq name: seed-seqs-19357.a2m(1), 103 bases, AF85E1C5 checksum. METHOD ###end 0 MODEL 1 M C 0.574 R C 0.532 G C 0.571 S C 0.501 H C 0.458 H C 0.439 H C 0.506 H C 0.517 H C 0.668 H C 0.532 G C 0.495 S C 0.419 R E 0.396 L E 0.464 Q E 0.422 S C 0.395 G C 0.473 K C 0.39 M E 0.513 T E 0.526 G E 0.563 I E 0.599 V E 0.64 K E 0.646 W E 0.645 F E 0.589 N E 0.483 A C 0.463 D C 0.602 K C 0.605 G C 0.621 F C 0.571 G C 0.497 F E 0.445 I E 0.446 T C 0.499 P C 0.679 D C 0.707 D C 0.726 G C 0.729 S C 0.68 K C 0.581 D C 0.5 V C 0.376 F C 0.366 V H 0.463 H H 0.502 F H 0.522 S H 0.511 A H 0.505 G H 0.479 S C 0.446 S C 0.469 G C 0.451 A H 0.478 A H 0.483 V H 0.546 R H 0.552 G H 0.513 N H 0.465 P C 0.414 Q C 0.523 Q C 0.543 G C 0.647 D C 0.432 R E 0.58 V E 0.628 E E 0.622 G E 0.623 K E 0.634 I E 0.644 K E 0.589 S E 0.533 I E 0.441 T C 0.461 D C 0.573 F C 0.559 G C 0.449 I E 0.535 F E 0.631 I E 0.645 G E 0.609 L E 0.516 D C 0.517 G C 0.641 G C 0.661 I C 0.545 D C 0.497 G E 0.469 L E 0.534 V E 0.512 H C 0.472 L C 0.431 S C 0.454 D C 0.399 I C 0.46 S C 0.549 W H 0.497 A C 0.49 Q C 0.455 A C 0.453 E C 0.554 A C 0.677 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 18:11:28 2002 Date: Wed, 24 Jul 2002 18:11:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0140 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 Jul 24 17:44:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_560229_14265 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140TS007_1 Current information on models submitted in prediction T0140TS007 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1MJC # Loading PARENT structure: 1mjc (chain: ) # Number of residues in PARENT structure: 69 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # IMPORTANT NOTE! Not complete main chain atoms for residue T 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue W 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue D 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue F 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue I 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0140 # Total number of residues in target: 103 # Total number of residues in model: 67 # Total number of atoms in model: 67 # Number of atoms with 1.0 occupancy: 67 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 67 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0140 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1MJC ATOM 3 CA GLY 17 13.710 24.742 34.442 1.00 1.00 ATOM 4 CA LYS 18 17.460 24.128 34.531 1.00 1.00 ATOM 5 CA MET 19 18.958 21.022 32.935 1.00 1.00 ATOM 6 CA THR 20 22.092 19.382 34.362 1.00 1.00 ATOM 7 CA GLY 21 24.906 17.886 32.277 1.00 1.00 ATOM 8 CA ILE 22 28.671 17.339 32.005 1.00 1.00 ATOM 9 CA VAL 23 31.222 19.420 30.035 1.00 1.00 ATOM 10 CA LYS 24 32.125 17.280 26.971 1.00 1.00 ATOM 11 CA TRP 25 34.998 19.635 26.091 1.00 1.00 ATOM 12 CA PHE 26 35.817 23.332 26.442 1.00 1.00 ATOM 13 CA ASN 27 38.312 25.273 24.243 1.00 1.00 ATOM 14 CA ALA 28 39.553 28.090 26.558 1.00 1.00 ATOM 15 CA ASP 29 41.411 29.708 23.596 1.00 1.00 ATOM 16 CA LYS 30 38.248 30.130 21.482 1.00 1.00 ATOM 17 CA GLY 31 35.956 30.452 24.537 1.00 1.00 ATOM 18 CA PHE 32 33.334 27.763 23.692 1.00 1.00 ATOM 19 CA GLY 33 32.600 24.059 24.031 1.00 1.00 ATOM 20 CA PHE 34 29.816 21.523 24.494 1.00 1.00 ATOM 21 CA ILE 35 27.756 20.102 27.301 1.00 1.00 ATOM 22 CA THR 36 26.232 16.583 27.242 1.00 1.00 ATOM 23 CA PRO 37 22.773 16.965 28.854 1.00 1.00 ATOM 24 CA ASP 38 21.734 14.350 31.387 1.00 1.00 ATOM 25 CA ASP 39 18.531 13.605 29.403 1.00 1.00 ATOM 26 CA GLY 40 20.456 11.995 26.478 1.00 1.00 ATOM 27 CA SER 41 19.488 14.870 24.124 1.00 1.00 ATOM 28 CA LYS 42 21.891 16.506 21.604 1.00 1.00 ATOM 29 CA ASP 43 25.093 18.193 22.897 1.00 1.00 ATOM 30 CA VAL 44 24.567 21.836 23.795 1.00 1.00 ATOM 31 CA PHE 45 26.907 24.614 22.694 1.00 1.00 ATOM 32 CA VAL 46 28.225 26.715 25.607 1.00 1.00 ATOM 33 CA HIS 47 29.825 30.169 24.991 1.00 1.00 ATOM 34 CA PHE 48 32.164 31.599 27.704 1.00 1.00 ATOM 35 CA SER 49 29.762 34.573 28.019 1.00 1.00 ATOM 36 CA ALA 50 26.985 32.194 29.281 1.00 1.00 ATOM 37 CA GLY 51 29.024 31.197 32.410 1.00 1.00 ATOM 38 CA SER 52 28.372 32.598 35.851 1.00 1.00 ATOM 39 CA SER 53 31.596 34.614 35.817 1.00 1.00 ATOM 40 CA GLY 54 32.829 35.446 39.443 1.00 1.00 ATOM 41 CA ALA 55 36.336 35.584 37.930 1.00 1.00 ATOM 42 CA ALA 56 36.050 32.118 36.354 1.00 1.00 ATOM 43 CA GLY 59 34.329 31.964 32.937 1.00 1.00 ATOM 44 CA ASN 60 36.233 28.723 32.017 1.00 1.00 ATOM 45 CA PRO 61 35.124 25.008 32.321 1.00 1.00 ATOM 46 CA GLN 62 36.840 21.706 32.562 1.00 1.00 ATOM 47 CA GLN 63 36.073 18.562 30.711 1.00 1.00 ATOM 48 CA GLY 64 33.980 16.339 32.959 1.00 1.00 ATOM 49 CA ASP 65 32.578 19.093 35.208 1.00 1.00 ATOM 50 CA ARG 66 28.906 18.778 36.294 1.00 1.00 ATOM 51 CA VAL 67 27.016 21.971 35.287 1.00 1.00 ATOM 52 CA GLU 68 23.460 23.309 35.352 1.00 1.00 ATOM 53 CA GLY 69 22.139 25.556 32.635 1.00 1.00 ATOM 54 CA LYS 70 19.003 26.574 30.796 1.00 1.00 ATOM 55 CA ILE 71 18.475 25.605 27.134 1.00 1.00 ATOM 56 CA LYS 72 18.208 28.643 24.993 1.00 1.00 ATOM 57 CA SER 73 17.573 29.929 21.564 1.00 1.00 ATOM 58 CA ILE 74 20.894 29.531 19.808 1.00 1.00 ATOM 59 CA THR 75 22.268 30.933 16.596 1.00 1.00 ATOM 60 CA ASP 76 23.018 27.452 15.198 1.00 1.00 ATOM 61 CA PHE 77 21.461 24.869 17.629 1.00 1.00 ATOM 62 CA GLY 78 20.576 24.479 21.311 1.00 1.00 ATOM 63 CA ILE 79 22.688 26.755 23.544 1.00 1.00 ATOM 64 CA PHE 80 23.318 26.799 27.272 1.00 1.00 ATOM 65 CA ILE 81 22.383 29.927 29.234 1.00 1.00 ATOM 66 CA GLY 82 22.992 30.645 32.981 1.00 1.00 ATOM 67 CA LEU 83 25.709 28.020 33.327 1.00 1.00 ATOM 68 CA ASP 84 26.437 27.134 36.881 1.00 1.00 ATOM 69 CA GLY 85 28.896 24.653 38.406 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 18:11:39 2002 Date: Wed, 24 Jul 2002 18:11:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0140 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 Jul 24 17:44:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_561799_14266 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140TS007_3 Current information on models submitted in prediction T0140TS007 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1H95_A # Loading PARENT structure: 1h95 (chain: A) # Number of residues in PARENT structure: 79 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue W 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue D 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue F 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue I 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0140 # Total number of residues in target: 103 # Total number of residues in model: 68 # Total number of atoms in model: 68 # Number of atoms with 1.0 occupancy: 68 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 68 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0140 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1H95_A ATOM 9 CA MET 19 -4.233 -7.967 -3.907 1.00 1.00 ATOM 10 CA THR 20 -6.821 -5.432 -2.788 1.00 1.00 ATOM 11 CA GLY 21 -7.167 -3.808 0.599 1.00 1.00 ATOM 12 CA ILE 22 -7.333 -0.641 2.609 1.00 1.00 ATOM 13 CA VAL 23 -4.524 1.867 2.941 1.00 1.00 ATOM 14 CA LYS 24 -4.326 3.792 6.190 1.00 1.00 ATOM 15 CA TRP 25 -2.104 6.391 7.838 1.00 1.00 ATOM 16 CA PHE 26 0.226 7.401 5.052 1.00 1.00 ATOM 17 CA ASN 27 2.974 9.589 6.447 1.00 1.00 ATOM 18 CA ALA 28 4.090 11.802 3.579 1.00 1.00 ATOM 19 CA ASP 29 7.074 13.391 5.290 1.00 1.00 ATOM 20 CA LYS 30 9.038 10.172 5.418 1.00 1.00 ATOM 21 CA GLY 31 6.937 8.438 2.779 1.00 1.00 ATOM 22 CA PHE 32 5.644 5.351 4.543 1.00 1.00 ATOM 23 CA GLY 33 2.225 3.976 5.350 1.00 1.00 ATOM 24 CA PHE 34 0.542 0.677 6.042 1.00 1.00 ATOM 25 CA ILE 35 -2.185 -1.443 4.541 1.00 1.00 ATOM 26 CA THR 36 -4.762 -3.496 6.351 1.00 1.00 ATOM 27 CA PRO 37 -4.442 -6.728 4.400 1.00 1.00 ATOM 28 CA ASP 38 -7.959 -8.069 4.414 1.00 1.00 ATOM 29 CA ASP 39 -8.053 -11.828 5.018 1.00 1.00 ATOM 30 CA GLY 40 -6.750 -12.088 8.576 1.00 1.00 ATOM 31 CA SER 41 -5.898 -8.443 9.015 1.00 1.00 ATOM 32 CA LYS 42 -2.208 -8.573 8.356 1.00 1.00 ATOM 33 CA ASP 43 0.360 -5.824 8.483 1.00 1.00 ATOM 34 CA VAL 44 1.579 -4.700 5.099 1.00 1.00 ATOM 35 CA PHE 45 4.093 -1.865 5.162 1.00 1.00 ATOM 36 CA VAL 46 4.189 0.272 2.047 1.00 1.00 ATOM 37 CA HIS 47 6.773 2.789 0.891 1.00 1.00 ATOM 38 CA PHE 48 6.805 5.525 -1.731 1.00 1.00 ATOM 39 CA SER 49 9.300 3.766 -3.986 1.00 1.00 ATOM 40 CA ALA 50 6.931 0.841 -4.500 1.00 1.00 ATOM 41 CA GLY 51 4.225 3.104 -5.889 1.00 1.00 ATOM 42 CA SER 52 3.936 3.157 -9.672 1.00 1.00 ATOM 43 CA SER 53 4.118 6.021 -12.152 1.00 1.00 ATOM 44 CA GLY 54 4.126 9.498 -10.605 1.00 1.00 ATOM 45 CA ALA 55 1.989 11.089 -7.915 1.00 1.00 ATOM 46 CA ALA 56 1.751 14.866 -8.163 1.00 1.00 ATOM 49 CA VAL 57 -5.921 18.262 -5.959 1.00 1.00 ATOM 50 CA ARG 58 -8.342 17.493 -3.173 1.00 1.00 ATOM 51 CA GLY 59 -11.162 15.067 -3.842 1.00 1.00 ATOM 52 CA ASN 60 -10.254 11.573 -4.959 1.00 1.00 ATOM 53 CA PRO 61 -11.602 9.220 -2.315 1.00 1.00 ATOM 54 CA GLN 62 -10.859 10.220 1.263 1.00 1.00 ATOM 55 CA GLN 63 -9.756 8.038 4.168 1.00 1.00 ATOM 56 CA GLY 64 -9.528 4.284 3.675 1.00 1.00 ATOM 57 CA ASP 65 -8.840 4.232 -0.041 1.00 1.00 ATOM 58 CA ARG 66 -8.504 1.034 -2.002 1.00 1.00 ATOM 59 CA VAL 67 -5.266 0.253 -3.782 1.00 1.00 ATOM 60 CA GLU 68 -3.811 -2.806 -5.491 1.00 1.00 ATOM 61 CA GLY 69 -0.580 -4.277 -4.241 1.00 1.00 ATOM 62 CA LYS 70 1.382 -7.484 -3.964 1.00 1.00 ATOM 63 CA ILE 71 1.523 -8.861 -0.412 1.00 1.00 ATOM 64 CA LYS 72 5.118 -9.899 -0.368 1.00 1.00 ATOM 65 CA SER 73 7.377 -11.347 2.301 1.00 1.00 ATOM 66 CA ILE 74 8.885 -8.557 4.284 1.00 1.00 ATOM 67 CA THR 75 10.720 -8.737 7.576 1.00 1.00 ATOM 68 CA ASP 76 8.277 -9.830 10.246 1.00 1.00 ATOM 69 CA PHE 77 5.429 -10.451 7.865 1.00 1.00 ATOM 70 CA GLY 78 4.634 -8.487 4.750 1.00 1.00 ATOM 71 CA ILE 79 5.437 -5.534 2.560 1.00 1.00 ATOM 72 CA PHE 80 4.003 -4.292 -0.706 1.00 1.00 ATOM 73 CA ILE 81 5.180 -4.189 -4.287 1.00 1.00 ATOM 74 CA GLY 82 3.704 -3.123 -7.620 1.00 1.00 ATOM 75 CA LEU 83 1.457 -0.638 -5.909 1.00 1.00 ATOM 76 CA ASP 84 -1.215 1.283 -7.776 1.00 1.00 ATOM 77 CA GLY 85 -3.779 3.868 -6.686 1.00 1.00 ATOM 78 CA GLY 86 -7.340 4.904 -7.405 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 18:12:18 2002 Date: Wed, 24 Jul 2002 18:12:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0140 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 Jul 24 17:44:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_564266_14268 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140TS007_5 Current information on models submitted in prediction T0140TS007 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1I5F_A # Loading PARENT structure: 1i5f (chain: A) # Number of residues in PARENT structure: 66 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue W 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue D 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue F 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue I 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0140 # Total number of residues in target: 103 # Total number of residues in model: 63 # Total number of atoms in model: 63 # Number of atoms with 1.0 occupancy: 63 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 63 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0140 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1I5F_A ATOM 1 CA GLY 17 72.254 34.632 -1.802 1.00 1.00 ATOM 2 CA LYS 18 73.407 36.487 1.324 1.00 1.00 ATOM 3 CA THR 20 72.325 38.373 4.425 1.00 1.00 ATOM 4 CA GLY 21 72.173 42.007 5.389 1.00 1.00 ATOM 5 CA ILE 22 70.105 44.481 7.398 1.00 1.00 ATOM 6 CA VAL 23 67.670 47.194 6.312 1.00 1.00 ATOM 7 CA LYS 24 69.502 50.514 6.414 1.00 1.00 ATOM 8 CA TRP 25 66.378 52.604 5.765 1.00 1.00 ATOM 9 CA PHE 26 63.038 52.173 4.062 1.00 1.00 ATOM 10 CA ASN 27 60.508 54.782 3.008 1.00 1.00 ATOM 11 CA ALA 28 57.187 53.114 3.651 1.00 1.00 ATOM 12 CA ASP 29 55.162 55.628 1.683 1.00 1.00 ATOM 13 CA LYS 30 57.237 55.322 -1.490 1.00 1.00 ATOM 14 CA GLY 31 57.983 51.617 -0.964 1.00 1.00 ATOM 15 CA PHE 32 61.749 51.492 -1.375 1.00 1.00 ATOM 16 CA GLY 33 64.970 51.710 0.604 1.00 1.00 ATOM 17 CA PHE 34 68.401 50.157 1.030 1.00 1.00 ATOM 18 CA ILE 35 69.920 47.042 2.563 1.00 1.00 ATOM 19 CA THR 36 73.343 47.461 4.182 1.00 1.00 ATOM 20 CA ASP 38 75.914 44.696 3.773 1.00 1.00 ATOM 21 CA ASP 39 78.820 44.107 6.103 1.00 1.00 ATOM 22 CA GLY 40 81.940 44.803 4.098 1.00 1.00 ATOM 23 CA SER 41 80.036 45.651 0.946 1.00 1.00 ATOM 24 CA LYS 42 77.961 48.229 -0.869 1.00 1.00 ATOM 25 CA ASP 43 74.382 49.086 0.008 1.00 1.00 ATOM 26 CA VAL 44 71.755 47.344 -2.135 1.00 1.00 ATOM 27 CA PHE 45 68.577 49.069 -3.371 1.00 1.00 ATOM 28 CA VAL 46 65.339 47.297 -2.417 1.00 1.00 ATOM 29 CA HIS 47 61.888 47.854 -3.871 1.00 1.00 ATOM 30 CA PHE 48 58.697 46.577 -2.197 1.00 1.00 ATOM 31 CA SER 49 58.020 44.273 -5.159 1.00 1.00 ATOM 32 CA ALA 50 61.028 42.153 -4.097 1.00 1.00 ATOM 33 CA GLY 51 59.695 41.455 -0.598 1.00 1.00 ATOM 34 CA SER 52 58.602 37.887 0.051 1.00 1.00 ATOM 35 CA SER 53 55.838 36.541 2.255 1.00 1.00 ATOM 36 CA GLY 54 52.339 37.384 3.141 1.00 1.00 ATOM 37 CA ALA 55 51.231 40.705 4.467 1.00 1.00 ATOM 38 CA ALA 56 51.733 44.354 3.642 1.00 1.00 ATOM 39 CA GLY 59 55.007 44.816 1.741 1.00 1.00 ATOM 40 CA ASN 60 57.238 46.885 3.980 1.00 1.00 ATOM 41 CA PRO 61 60.545 46.773 5.868 1.00 1.00 ATOM 42 CA GLN 62 61.715 48.436 9.088 1.00 1.00 ATOM 43 CA GLN 63 65.204 49.791 9.845 1.00 1.00 ATOM 44 CA GLY 64 67.435 47.128 11.425 1.00 1.00 ATOM 45 CA ASP 65 65.419 44.234 10.001 1.00 1.00 ATOM 46 CA ARG 66 67.618 41.262 9.122 1.00 1.00 ATOM 47 CA VAL 67 67.049 39.965 5.590 1.00 1.00 ATOM 48 CA GLU 68 68.325 37.437 3.095 1.00 1.00 ATOM 49 CA GLY 69 68.371 38.419 -0.593 1.00 1.00 ATOM 50 CA LYS 70 69.814 37.954 -4.089 1.00 1.00 ATOM 51 CA ILE 71 71.371 40.753 -6.169 1.00 1.00 ATOM 52 CA LYS 72 70.180 41.203 -9.725 1.00 1.00 ATOM 53 CA SER 73 71.183 43.744 -12.397 1.00 1.00 ATOM 54 CA ILE 74 68.335 45.702 -14.011 1.00 1.00 ATOM 55 CA THR 75 68.349 48.676 -16.369 1.00 1.00 ATOM 56 CA ASP 76 68.906 51.037 -13.396 1.00 1.00 ATOM 57 CA PHE 77 71.734 48.968 -11.894 1.00 1.00 ATOM 58 CA GLY 78 72.036 46.419 -9.074 1.00 1.00 ATOM 59 CA ILE 79 68.978 45.808 -6.896 1.00 1.00 ATOM 60 CA PHE 80 67.626 43.217 -4.476 1.00 1.00 ATOM 61 CA ILE 81 65.505 40.196 -5.363 1.00 1.00 ATOM 62 CA GLY 82 63.896 37.505 -3.188 1.00 1.00 ATOM 63 CA LEU 83 64.031 39.571 0.015 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 18:12:28 2002 Date: Wed, 24 Jul 2002 18:12:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0140 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 Jul 24 17:45:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_569935_14269 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140TS007_2 Current information on models submitted in prediction T0140TS007 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_2 PIN_569935_14269 6269-7633-6117 07/24/02 17:45:06 casp5@bialko.llnl.gov T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov T0140TS007_2 PIN_569935_14269 6269-7633-6117 07/24/02 17:45:06 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 3MEF_A # Loading PARENT structure: 3mef (chain: A) # Number of residues in PARENT structure: 69 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # IMPORTANT NOTE! Not complete main chain atoms for residue T 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue W 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue D 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue F 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue I 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0140 # Total number of residues in target: 103 # Total number of residues in model: 67 # Total number of atoms in model: 67 # Number of atoms with 1.0 occupancy: 67 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 67 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0140 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 3MEF_A ATOM 3 CA GLY 17 -9.021 -1.688 12.361 1.00 1.00 ATOM 4 CA LYS 18 -7.972 -1.185 8.722 1.00 1.00 ATOM 5 CA MET 19 -6.509 1.737 6.741 1.00 1.00 ATOM 6 CA THR 20 -6.761 2.601 3.028 1.00 1.00 ATOM 7 CA GLY 21 -3.894 3.932 0.881 1.00 1.00 ATOM 8 CA ILE 22 -2.118 3.499 -2.475 1.00 1.00 ATOM 9 CA VAL 23 1.022 1.595 -3.532 1.00 1.00 ATOM 10 CA LYS 24 3.731 3.630 -5.299 1.00 1.00 ATOM 11 CA TRP 25 6.579 1.167 -5.944 1.00 1.00 ATOM 12 CA PHE 26 6.928 -2.605 -5.439 1.00 1.00 ATOM 13 CA ASN 27 9.552 -5.170 -6.504 1.00 1.00 ATOM 14 CA ALA 28 8.699 -8.859 -7.018 1.00 1.00 ATOM 15 CA ASP 29 12.286 -9.839 -7.901 1.00 1.00 ATOM 16 CA LYS 30 13.455 -9.145 -4.329 1.00 1.00 ATOM 17 CA GLY 31 10.071 -9.612 -2.616 1.00 1.00 ATOM 18 CA PHE 32 9.403 -6.130 -1.191 1.00 1.00 ATOM 19 CA GLY 33 7.726 -2.806 -2.051 1.00 1.00 ATOM 20 CA PHE 34 6.718 0.594 -0.629 1.00 1.00 ATOM 21 CA ILE 35 3.130 1.791 -0.084 1.00 1.00 ATOM 22 CA THR 36 1.831 5.335 0.508 1.00 1.00 ATOM 23 CA PRO 37 -1.066 5.624 2.997 1.00 1.00 ATOM 24 CA ASP 38 -3.287 8.710 2.614 1.00 1.00 ATOM 25 CA ASP 39 -3.503 9.515 6.344 1.00 1.00 ATOM 26 CA GLY 40 0.014 8.050 6.636 1.00 1.00 ATOM 27 CA SER 41 1.728 10.636 4.404 1.00 1.00 ATOM 28 CA LYS 42 4.851 8.662 5.379 1.00 1.00 ATOM 29 CA ASP 43 5.912 5.548 3.434 1.00 1.00 ATOM 30 CA VAL 44 5.892 1.934 4.675 1.00 1.00 ATOM 31 CA PHE 45 7.417 -1.232 3.175 1.00 1.00 ATOM 32 CA VAL 46 5.341 -4.228 2.027 1.00 1.00 ATOM 33 CA HIS 47 5.945 -7.840 0.937 1.00 1.00 ATOM 34 CA PHE 48 4.220 -10.402 -1.313 1.00 1.00 ATOM 35 CA SER 49 3.643 -12.797 1.608 1.00 1.00 ATOM 36 CA ALA 50 0.298 -11.328 2.730 1.00 1.00 ATOM 37 CA GLY 51 -1.337 -9.821 -0.378 1.00 1.00 ATOM 38 CA SER 52 -4.936 -10.259 -1.584 1.00 1.00 ATOM 39 CA SER 53 -4.983 -11.035 -5.326 1.00 1.00 ATOM 40 CA GLY 54 -5.762 -14.773 -5.482 1.00 1.00 ATOM 41 CA ALA 55 -2.456 -15.845 -7.070 1.00 1.00 ATOM 42 CA ALA 56 -0.230 -14.738 -9.948 1.00 1.00 ATOM 43 CA GLY 59 1.503 -12.153 -7.724 1.00 1.00 ATOM 44 CA ASN 60 1.206 -8.842 -9.608 1.00 1.00 ATOM 45 CA PRO 61 0.431 -5.222 -8.663 1.00 1.00 ATOM 46 CA GLN 62 0.143 -1.883 -10.500 1.00 1.00 ATOM 47 CA GLN 63 2.158 1.293 -9.830 1.00 1.00 ATOM 48 CA GLY 64 0.104 4.049 -8.160 1.00 1.00 ATOM 49 CA ASP 65 -2.871 1.786 -7.364 1.00 1.00 ATOM 50 CA ARG 66 -5.288 2.239 -4.439 1.00 1.00 ATOM 51 CA VAL 67 -4.748 -0.542 -1.875 1.00 1.00 ATOM 52 CA GLU 68 -5.477 -1.089 1.836 1.00 1.00 ATOM 53 CA GLY 69 -3.479 -2.674 4.681 1.00 1.00 ATOM 54 CA LYS 70 -2.968 -2.652 8.468 1.00 1.00 ATOM 55 CA ILE 71 0.731 -1.776 8.861 1.00 1.00 ATOM 56 CA LYS 72 1.899 -5.235 9.989 1.00 1.00 ATOM 57 CA SER 73 4.990 -5.764 12.172 1.00 1.00 ATOM 58 CA ILE 74 7.793 -8.282 11.539 1.00 1.00 ATOM 59 CA THR 75 11.078 -6.343 11.315 1.00 1.00 ATOM 60 CA ASP 76 10.823 -2.815 12.762 1.00 1.00 ATOM 61 CA PHE 77 7.266 -1.430 12.931 1.00 1.00 ATOM 62 CA GLY 78 5.517 -0.958 9.555 1.00 1.00 ATOM 63 CA ILE 79 5.408 -3.859 7.071 1.00 1.00 ATOM 64 CA PHE 80 2.529 -4.706 4.705 1.00 1.00 ATOM 65 CA ILE 81 -0.455 -6.116 6.630 1.00 1.00 ATOM 66 CA GLY 82 -3.358 -7.525 4.583 1.00 1.00 ATOM 67 CA LEU 83 -2.415 -5.745 1.336 1.00 1.00 ATOM 68 CA ASP 84 -5.590 -5.819 -0.789 1.00 1.00 ATOM 69 CA GLY 85 -6.438 -3.859 -3.958 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 18:13:18 2002 Date: Wed, 24 Jul 2002 18:13:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0140 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 Jul 24 17:45:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_573903_14272 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0140TS007_4 Current information on models submitted in prediction T0140TS007 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_4 PIN_573903_14272 6269-7633-6117 07/24/02 17:45:49 casp5@bialko.llnl.gov T0140TS007_2 PIN_569935_14269 6269-7633-6117 07/24/02 17:45:06 casp5@bialko.llnl.gov T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0140 MODEL_INDEX PIN CODE DATE E-mail T0140TS007_1 PIN_560229_14265 6269-7633-6117 07/24/02 17:44:09 casp5@bialko.llnl.gov T0140TS007_2 PIN_569935_14269 6269-7633-6117 07/24/02 17:45:06 casp5@bialko.llnl.gov T0140TS007_3 PIN_561799_14266 6269-7633-6117 07/24/02 17:44:24 casp5@bialko.llnl.gov T0140TS007_4 PIN_573903_14272 6269-7633-6117 07/24/02 17:45:49 casp5@bialko.llnl.gov T0140TS007_5 PIN_564266_14268 6269-7633-6117 07/24/02 17:44:52 casp5@bialko.llnl.gov T0140SS007_1 PIN_319207_10887 6269-7633-6117 06/24/02 08:20:45 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 T0140 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1G6P_A # Loading PARENT structure: 1g6p (chain: A) # Number of residues in PARENT structure: 66 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 19 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 20 # IMPORTANT NOTE! Not complete main chain atoms for residue G 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue W 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue D 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue F 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue K 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue F 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue I 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0140 # Total number of residues in target: 103 # Total number of residues in model: 62 # Total number of atoms in model: 62 # Number of atoms with 1.0 occupancy: 62 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 62 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0140 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1G6P_A ATOM 1 CA MET 19 -3.009 -3.458 -9.360 1.00 1.00 ATOM 2 CA THR 20 -5.439 -2.557 -6.513 1.00 1.00 ATOM 3 CA GLY 21 -6.362 -3.638 -3.022 1.00 1.00 ATOM 4 CA ILE 22 -7.682 -2.370 0.254 1.00 1.00 ATOM 5 CA VAL 23 -6.012 -0.306 2.968 1.00 1.00 ATOM 6 CA LYS 24 -5.792 -1.275 6.567 1.00 1.00 ATOM 7 CA TRP 25 -2.890 0.787 8.015 1.00 1.00 ATOM 8 CA PHE 26 -0.800 3.868 7.097 1.00 1.00 ATOM 9 CA ASN 27 2.424 4.779 8.901 1.00 1.00 ATOM 10 CA ALA 28 5.439 6.996 8.265 1.00 1.00 ATOM 11 CA ASP 29 5.237 10.428 6.746 1.00 1.00 ATOM 12 CA LYS 30 5.838 8.716 3.392 1.00 1.00 ATOM 13 CA GLY 31 4.328 5.408 2.223 1.00 1.00 ATOM 14 CA PHE 32 4.584 3.034 5.190 1.00 1.00 ATOM 15 CA GLY 33 1.906 0.683 6.462 1.00 1.00 ATOM 16 CA PHE 34 -0.162 -2.378 5.699 1.00 1.00 ATOM 17 CA ILE 35 -2.429 -3.025 2.768 1.00 1.00 ATOM 18 CA THR 36 -4.918 -5.727 1.690 1.00 1.00 ATOM 19 CA ASP 38 -4.857 -7.158 -1.850 1.00 1.00 ATOM 20 CA ASP 39 -8.251 -7.051 -3.679 1.00 1.00 ATOM 21 CA GLY 40 -9.926 -10.187 -2.231 1.00 1.00 ATOM 22 CA SER 41 -6.805 -11.748 -0.742 1.00 1.00 ATOM 23 CA LYS 42 -5.027 -10.951 2.505 1.00 1.00 ATOM 24 CA ASP 43 -2.746 -8.265 3.907 1.00 1.00 ATOM 25 CA VAL 44 0.509 -6.793 2.715 1.00 1.00 ATOM 26 CA PHE 45 3.081 -4.453 4.023 1.00 1.00 ATOM 27 CA VAL 46 4.497 -1.227 2.668 1.00 1.00 ATOM 28 CA HIS 47 7.785 0.606 3.224 1.00 1.00 ATOM 29 CA PHE 48 7.505 4.251 1.994 1.00 1.00 ATOM 30 CA SER 49 8.742 3.835 -1.541 1.00 1.00 ATOM 31 CA ALA 50 5.503 2.213 -2.631 1.00 1.00 ATOM 32 CA GLY 51 3.256 5.077 -1.448 1.00 1.00 ATOM 33 CA SER 52 5.381 7.811 -2.877 1.00 1.00 ATOM 34 CA SER 53 3.304 9.925 -5.285 1.00 1.00 ATOM 35 CA GLY 54 2.845 13.614 -6.118 1.00 1.00 ATOM 36 CA ALA 55 -0.930 13.709 -6.551 1.00 1.00 ATOM 37 CA ALA 56 -2.649 12.227 -3.527 1.00 1.00 ATOM 38 CA GLY 59 -0.914 9.634 -1.386 1.00 1.00 ATOM 39 CA ASN 60 -1.752 8.904 2.219 1.00 1.00 ATOM 40 CA PRO 61 -3.845 5.838 2.695 1.00 1.00 ATOM 41 CA GLN 62 -6.817 6.337 4.890 1.00 1.00 ATOM 42 CA GLN 63 -6.233 2.783 6.199 1.00 1.00 ATOM 43 CA GLY 64 -9.772 1.760 5.206 1.00 1.00 ATOM 44 CA ASP 65 -10.065 2.028 1.424 1.00 1.00 ATOM 45 CA ARG 66 -9.048 0.478 -1.833 1.00 1.00 ATOM 46 CA VAL 67 -5.741 1.262 -3.392 1.00 1.00 ATOM 47 CA GLU 68 -4.198 0.656 -6.773 1.00 1.00 ATOM 48 CA GLY 69 -1.037 -1.369 -6.130 1.00 1.00 ATOM 49 CA LYS 70 1.332 -4.188 -6.948 1.00 1.00 ATOM 50 CA ILE 71 3.147 -6.637 -4.718 1.00 1.00 ATOM 51 CA LYS 72 6.416 -8.545 -4.885 1.00 1.00 ATOM 52 CA SER 73 7.596 -11.391 -2.652 1.00 1.00 ATOM 53 CA ILE 74 11.223 -12.444 -2.305 1.00 1.00 ATOM 54 CA THR 75 13.468 -13.596 0.505 1.00 1.00 ATOM 55 CA ASP 76 11.184 -11.817 2.976 1.00 1.00 ATOM 56 CA PHE 77 7.432 -11.095 2.630 1.00 1.00 ATOM 57 CA GLY 78 5.215 -9.566 -0.118 1.00 1.00 ATOM 58 CA ILE 79 5.123 -5.767 -0.010 1.00 1.00 ATOM 59 CA PHE 80 3.472 -3.055 -1.998 1.00 1.00 ATOM 60 CA ILE 81 5.830 -1.534 -4.542 1.00 1.00 ATOM 61 CA GLY 82 3.430 0.727 -6.384 1.00 1.00 ATOM 62 CA LEU 83 0.742 2.376 -4.331 1.00 1.00 TER END ################################ # # # END # # # ################################