From mailer@bialko.llnl.gov Wed Jul 17 08:25:18 2002 Date: Wed, 17 Jul 2002 08:25:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 17 07:58:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_697930_12227 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150SS007_1 Current information on models submitted in prediction T0150SS007 MODEL_INDEX PIN CODE DATE E-mail T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 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: 102 # Number of residues with nonzero confidence: 102 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0150 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-22245.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-8496//target-align-8496.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 39.6422 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-22245.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc70.15112/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Jul 10 14:31:53 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-8496//target-align-8496.a2m METHOD METHOD guide seq name: seed-seqs-22245.a2m(1), 102 bases, 5EC48211 checksum. METHOD ###end 0 MODEL 1 G C 0.545 S C 0.486 V H 0.681 D H 0.706 F H 0.749 A H 0.757 F H 0.768 E H 0.765 L H 0.755 R H 0.737 K H 0.728 A H 0.714 Q H 0.688 D H 0.668 T H 0.61 G C 0.632 K C 0.541 I E 0.416 V E 0.425 M C 0.359 G C 0.495 A H 0.513 R H 0.623 K H 0.674 S H 0.677 I H 0.723 Q H 0.741 Y H 0.729 A H 0.717 K H 0.688 M H 0.613 G C 0.63 G C 0.594 A C 0.47 K E 0.527 L E 0.671 I E 0.73 I E 0.732 V E 0.675 A E 0.467 R C 0.578 N C 0.672 A C 0.685 R C 0.694 P H 0.544 D H 0.576 I H 0.61 K H 0.62 E H 0.633 D H 0.644 I H 0.655 E H 0.662 Y H 0.673 Y H 0.672 A H 0.658 R H 0.655 L H 0.63 S H 0.491 G C 0.653 I C 0.658 P C 0.586 V E 0.623 Y E 0.66 E E 0.657 F E 0.612 E E 0.476 G C 0.542 T C 0.618 S H 0.564 V H 0.612 E H 0.62 L H 0.604 G H 0.558 T H 0.557 L H 0.541 L H 0.466 G C 0.635 R C 0.611 P C 0.536 H C 0.443 T E 0.448 V E 0.597 S E 0.625 A E 0.652 L E 0.662 A E 0.657 V E 0.658 V E 0.507 D C 0.608 P C 0.647 G C 0.664 E C 0.539 S H 0.514 R H 0.623 I H 0.624 L H 0.633 A H 0.7 L H 0.629 G H 0.575 G C 0.49 K C 0.633 E C 0.711 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:14:50 2002 Date: Mon, 22 Jul 2002 08:14:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:47:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_592280_12847 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS007_1 Current information on models submitted in prediction T0150TS007 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 casp5@bialko.llnl.gov T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1CK2_A # Loading PARENT structure: 1ck2 (chain: A) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue S -1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1CK2_A ATOM 7 CA SER -1 9.739 7.255 -12.350 1.00 1.00 ATOM 8 CA VAL 1 7.882 9.733 -14.691 1.00 1.00 ATOM 9 CA ASP 2 6.606 7.036 -17.127 1.00 1.00 ATOM 10 CA PHE 3 4.775 4.866 -14.535 1.00 1.00 ATOM 11 CA ALA 4 3.360 8.125 -12.979 1.00 1.00 ATOM 12 CA PHE 5 2.131 9.516 -16.349 1.00 1.00 ATOM 13 CA GLU 6 0.810 6.153 -17.676 1.00 1.00 ATOM 14 CA LEU 7 -0.953 5.279 -14.373 1.00 1.00 ATOM 15 CA ARG 8 -2.643 8.743 -14.149 1.00 1.00 ATOM 16 CA LYS 9 -3.525 8.398 -17.889 1.00 1.00 ATOM 17 CA ALA 10 -5.181 5.059 -16.865 1.00 1.00 ATOM 18 CA GLN 11 -6.868 6.496 -13.670 1.00 1.00 ATOM 19 CA ASP 12 -8.637 8.973 -16.063 1.00 1.00 ATOM 20 CA THR 13 -11.162 6.106 -16.676 1.00 1.00 ATOM 21 CA GLY 14 -9.732 2.739 -15.393 1.00 1.00 ATOM 22 CA LYS 15 -10.614 1.052 -12.043 1.00 1.00 ATOM 23 CA ILE 16 -8.057 1.664 -9.246 1.00 1.00 ATOM 24 CA VAL 17 -7.695 1.650 -5.393 1.00 1.00 ATOM 25 CA MET 18 -5.491 3.799 -3.001 1.00 1.00 ATOM 26 CA GLY 19 -4.028 3.261 0.522 1.00 1.00 ATOM 27 CA ALA 20 -3.038 0.067 2.428 1.00 1.00 ATOM 28 CA ARG 21 -6.495 -1.096 3.724 1.00 1.00 ATOM 29 CA LYS 22 -8.077 -0.158 0.331 1.00 1.00 ATOM 30 CA SER 23 -5.590 -2.278 -1.668 1.00 1.00 ATOM 31 CA ILE 24 -5.653 -5.179 0.937 1.00 1.00 ATOM 32 CA GLN 25 -9.515 -5.286 0.690 1.00 1.00 ATOM 33 CA TYR 26 -9.475 -4.977 -3.152 1.00 1.00 ATOM 34 CA ALA 27 -6.703 -7.632 -3.566 1.00 1.00 ATOM 35 CA LYS 28 -8.547 -10.030 -1.152 1.00 1.00 ATOM 36 CA MET 29 -11.531 -9.454 -3.547 1.00 1.00 ATOM 37 CA GLY 30 -9.248 -11.271 -6.125 1.00 1.00 ATOM 38 CA GLY 31 -10.107 -9.222 -9.288 1.00 1.00 ATOM 39 CA ALA 32 -6.920 -7.010 -9.205 1.00 1.00 ATOM 40 CA LYS 33 -4.145 -7.209 -11.857 1.00 1.00 ATOM 41 CA LEU 34 -1.333 -4.720 -10.935 1.00 1.00 ATOM 42 CA ILE 35 -0.212 -3.320 -7.503 1.00 1.00 ATOM 43 CA ILE 36 2.178 -0.382 -6.950 1.00 1.00 ATOM 44 CA VAL 37 4.167 0.222 -3.750 1.00 1.00 ATOM 45 CA ALA 38 5.544 3.830 -3.659 1.00 1.00 ATOM 46 CA ARG 39 5.471 4.052 0.165 1.00 1.00 ATOM 47 CA ASN 40 8.002 3.393 3.031 1.00 1.00 ATOM 48 CA ALA 41 6.903 -0.279 3.243 1.00 1.00 ATOM 49 CA ARG 42 8.974 -2.683 5.461 1.00 1.00 ATOM 50 CA PRO 43 9.549 -6.406 4.640 1.00 1.00 ATOM 51 CA ASP 44 6.503 -7.926 6.467 1.00 1.00 ATOM 52 CA ILE 45 4.176 -5.143 5.138 1.00 1.00 ATOM 53 CA LYS 46 5.395 -5.542 1.513 1.00 1.00 ATOM 54 CA GLU 47 5.236 -9.360 2.007 1.00 1.00 ATOM 55 CA ASP 48 1.509 -9.113 2.924 1.00 1.00 ATOM 56 CA ILE 49 0.717 -6.967 -0.214 1.00 1.00 ATOM 57 CA GLU 50 2.934 -9.331 -2.236 1.00 1.00 ATOM 58 CA TYR 51 0.986 -12.313 -0.712 1.00 1.00 ATOM 59 CA TYR 52 -2.345 -10.795 -1.903 1.00 1.00 ATOM 60 CA ALA 53 -0.670 -10.066 -5.306 1.00 1.00 ATOM 61 CA ARG 54 0.227 -13.855 -5.311 1.00 1.00 ATOM 62 CA LEU 55 -3.271 -15.071 -4.155 1.00 1.00 ATOM 63 CA SER 56 -4.943 -12.762 -6.696 1.00 1.00 ATOM 64 CA GLY 57 -3.353 -13.437 -10.135 1.00 1.00 ATOM 65 CA ILE 58 -1.653 -10.022 -10.069 1.00 1.00 ATOM 66 CA PRO 59 1.746 -8.250 -10.675 1.00 1.00 ATOM 67 CA VAL 60 3.750 -6.301 -8.018 1.00 1.00 ATOM 68 CA TYR 61 5.580 -3.101 -9.079 1.00 1.00 ATOM 69 CA GLU 62 7.996 -1.562 -6.557 1.00 1.00 ATOM 70 CA PHE 63 8.276 2.237 -6.884 1.00 1.00 ATOM 71 CA GLU 64 9.569 2.563 -3.293 1.00 1.00 ATOM 72 CA GLY 65 11.444 5.927 -3.602 1.00 1.00 ATOM 73 CA THR 66 11.108 6.227 0.223 1.00 1.00 ATOM 74 CA SER 67 9.161 9.545 -0.130 1.00 1.00 ATOM 75 CA VAL 68 5.931 10.076 -2.204 1.00 1.00 ATOM 76 CA GLU 69 6.705 10.007 -5.974 1.00 1.00 ATOM 77 CA LEU 70 3.432 8.343 -7.172 1.00 1.00 ATOM 78 CA GLY 71 1.238 10.720 -5.046 1.00 1.00 ATOM 79 CA THR 72 1.837 12.988 -8.099 1.00 1.00 ATOM 80 CA LEU 73 -0.229 10.657 -10.366 1.00 1.00 ATOM 81 CA LEU 74 -2.908 9.429 -7.912 1.00 1.00 ATOM 82 CA GLY 75 -4.189 11.873 -5.214 1.00 1.00 ATOM 83 CA ARG 76 -1.656 14.829 -4.985 1.00 1.00 ATOM 84 CA PRO 77 -2.428 15.413 -1.207 1.00 1.00 ATOM 85 CA HIS 78 -1.413 12.209 0.666 1.00 1.00 ATOM 86 CA THR 79 2.192 10.860 0.385 1.00 1.00 ATOM 87 CA VAL 80 1.596 7.048 0.779 1.00 1.00 ATOM 88 CA SER 81 1.786 5.949 -2.914 1.00 1.00 ATOM 89 CA ALA 82 0.363 2.413 -2.388 1.00 1.00 ATOM 90 CA LEU 83 -1.983 1.735 -5.335 1.00 1.00 ATOM 91 CA ALA 84 -3.625 -1.111 -7.265 1.00 1.00 ATOM 92 CA VAL 85 -5.415 -1.422 -10.652 1.00 1.00 ATOM 93 CA VAL 86 -8.300 -3.825 -11.415 1.00 1.00 ATOM 94 CA ASP 87 -9.550 -2.774 -14.911 1.00 1.00 ATOM 95 CA PRO 88 -7.151 -0.633 -16.996 1.00 1.00 ATOM 96 CA GLY 89 -10.067 0.070 -19.447 1.00 1.00 ATOM 97 CA GLU 90 -8.032 3.019 -20.848 1.00 1.00 ATOM 98 CA SER 91 -4.291 2.312 -21.542 1.00 1.00 ATOM 99 CA ARG 92 -2.507 -1.080 -21.669 1.00 1.00 ATOM 100 CA ILE 93 -0.595 -0.578 -18.306 1.00 1.00 ATOM 101 CA LEU 94 -1.367 -4.078 -16.832 1.00 1.00 ATOM 102 CA ALA 95 -0.167 -5.716 -20.146 1.00 1.00 ATOM 103 CA LEU 96 2.918 -3.432 -20.858 1.00 1.00 ATOM 104 CA GLY 97 4.021 -2.364 -17.296 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:15:08 2002 Date: Mon, 22 Jul 2002 08:15:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:47:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_593481_12848 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS007_2 Current information on models submitted in prediction T0150TS007 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1CK5_B # Loading PARENT structure: 1ck5 (chain: B) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S -1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1CK5_B ATOM 7 CA SER -1 3.636 20.098 5.948 1.00 1.00 ATOM 8 CA VAL 1 0.904 18.132 3.961 1.00 1.00 ATOM 9 CA ASP 2 0.666 20.851 1.270 1.00 1.00 ATOM 10 CA PHE 3 2.989 18.193 -0.261 1.00 1.00 ATOM 11 CA ALA 4 -0.190 15.969 -0.538 1.00 1.00 ATOM 12 CA PHE 5 -1.816 18.735 -2.666 1.00 1.00 ATOM 13 CA GLU 6 1.345 19.358 -4.794 1.00 1.00 ATOM 14 CA LEU 7 1.766 15.551 -5.324 1.00 1.00 ATOM 15 CA ARG 8 -1.921 15.354 -6.431 1.00 1.00 ATOM 16 CA LYS 9 -0.955 18.288 -8.771 1.00 1.00 ATOM 17 CA ALA 10 1.742 15.898 -10.183 1.00 1.00 ATOM 18 CA GLN 11 -0.761 12.955 -10.337 1.00 1.00 ATOM 19 CA ASP 12 -3.220 14.993 -12.531 1.00 1.00 ATOM 20 CA THR 13 -0.286 16.088 -14.838 1.00 1.00 ATOM 21 CA GLY 14 2.491 13.352 -14.861 1.00 1.00 ATOM 22 CA LYS 15 3.314 9.713 -13.912 1.00 1.00 ATOM 23 CA ILE 16 4.110 8.260 -10.469 1.00 1.00 ATOM 24 CA VAL 17 4.999 4.863 -8.906 1.00 1.00 ATOM 25 CA MET 18 4.670 3.419 -5.342 1.00 1.00 ATOM 26 CA GLY 19 6.233 0.998 -2.825 1.00 1.00 ATOM 27 CA ALA 20 9.779 -0.371 -3.170 1.00 1.00 ATOM 28 CA ARG 21 9.829 -3.391 -5.600 1.00 1.00 ATOM 29 CA LYS 22 7.345 -1.553 -7.878 1.00 1.00 ATOM 30 CA SER 23 9.166 1.844 -7.674 1.00 1.00 ATOM 31 CA ILE 24 12.722 0.380 -8.073 1.00 1.00 ATOM 32 CA GLN 25 11.829 -1.714 -11.181 1.00 1.00 ATOM 33 CA TYR 26 9.891 1.334 -12.508 1.00 1.00 ATOM 34 CA ALA 27 12.875 3.727 -11.979 1.00 1.00 ATOM 35 CA LYS 28 15.564 1.317 -13.303 1.00 1.00 ATOM 36 CA MET 29 13.380 1.178 -16.492 1.00 1.00 ATOM 37 CA GLY 30 11.904 4.774 -16.654 1.00 1.00 ATOM 38 CA GLY 31 14.353 7.123 -14.898 1.00 1.00 ATOM 39 CA ALA 32 13.108 9.120 -11.842 1.00 1.00 ATOM 40 CA LYS 33 13.116 12.795 -10.994 1.00 1.00 ATOM 41 CA LEU 34 11.582 13.985 -7.649 1.00 1.00 ATOM 42 CA ILE 35 10.920 11.230 -5.059 1.00 1.00 ATOM 43 CA ILE 36 9.278 11.006 -1.608 1.00 1.00 ATOM 44 CA VAL 37 10.282 8.692 1.287 1.00 1.00 ATOM 45 CA ALA 38 8.663 8.348 4.743 1.00 1.00 ATOM 46 CA ARG 39 10.888 9.125 7.790 1.00 1.00 ATOM 47 CA ASN 40 10.011 5.532 8.960 1.00 1.00 ATOM 48 CA ALA 41 11.657 3.785 5.951 1.00 1.00 ATOM 49 CA ARG 42 15.032 1.942 6.559 1.00 1.00 ATOM 50 CA PRO 43 18.305 3.959 6.191 1.00 1.00 ATOM 51 CA ASP 44 19.584 1.462 3.551 1.00 1.00 ATOM 52 CA ILE 45 16.185 1.441 1.714 1.00 1.00 ATOM 53 CA LYS 46 15.987 5.307 1.706 1.00 1.00 ATOM 54 CA GLU 47 19.663 5.530 0.562 1.00 1.00 ATOM 55 CA ASP 48 19.030 3.095 -2.351 1.00 1.00 ATOM 56 CA ILE 49 15.873 5.090 -3.306 1.00 1.00 ATOM 57 CA GLU 50 17.983 8.303 -2.954 1.00 1.00 ATOM 58 CA TYR 51 20.535 6.682 -5.349 1.00 1.00 ATOM 59 CA TYR 52 17.631 6.181 -7.856 1.00 1.00 ATOM 60 CA ALA 53 16.913 9.957 -7.460 1.00 1.00 ATOM 61 CA ARG 54 20.713 10.683 -7.791 1.00 1.00 ATOM 62 CA LEU 55 20.635 8.803 -11.187 1.00 1.00 ATOM 63 CA SER 56 18.706 11.896 -12.456 1.00 1.00 ATOM 64 CA GLY 57 20.692 14.093 -9.924 1.00 1.00 ATOM 65 CA ILE 58 17.229 14.945 -8.476 1.00 1.00 ATOM 66 CA PRO 59 16.004 15.113 -4.869 1.00 1.00 ATOM 67 CA VAL 60 14.249 13.233 -2.022 1.00 1.00 ATOM 68 CA TYR 61 11.505 14.570 0.294 1.00 1.00 ATOM 69 CA GLU 62 11.858 13.014 3.816 1.00 1.00 ATOM 70 CA PHE 63 8.127 12.907 4.835 1.00 1.00 ATOM 71 CA GLU 64 7.586 12.759 8.651 1.00 1.00 ATOM 72 CA GLY 65 4.444 10.574 9.182 1.00 1.00 ATOM 73 CA THR 66 4.634 9.669 5.439 1.00 1.00 ATOM 74 CA SER 67 4.278 5.895 6.215 1.00 1.00 ATOM 75 CA VAL 68 0.578 6.700 6.487 1.00 1.00 ATOM 76 CA GLU 69 0.420 10.002 4.623 1.00 1.00 ATOM 77 CA LEU 70 1.922 9.102 1.210 1.00 1.00 ATOM 78 CA GLY 71 -1.221 6.884 0.917 1.00 1.00 ATOM 79 CA THR 72 -3.225 10.103 1.484 1.00 1.00 ATOM 80 CA LEU 73 -0.907 12.065 -0.911 1.00 1.00 ATOM 81 CA LEU 74 -1.493 9.442 -3.699 1.00 1.00 ATOM 82 CA GLY 75 -5.251 9.086 -2.811 1.00 1.00 ATOM 83 CA ARG 76 -5.092 5.271 -2.159 1.00 1.00 ATOM 84 CA PRO 77 -7.317 3.188 0.183 1.00 1.00 ATOM 85 CA HIS 78 -4.170 1.189 1.109 1.00 1.00 ATOM 86 CA THR 79 -1.062 2.871 2.673 1.00 1.00 ATOM 87 CA VAL 80 2.407 3.702 1.276 1.00 1.00 ATOM 88 CA SER 81 5.602 5.414 2.589 1.00 1.00 ATOM 89 CA ALA 82 7.683 5.651 -0.658 1.00 1.00 ATOM 90 CA LEU 83 6.630 7.334 -3.949 1.00 1.00 ATOM 91 CA ALA 84 8.584 8.377 -7.077 1.00 1.00 ATOM 92 CA VAL 85 7.721 10.729 -9.976 1.00 1.00 ATOM 93 CA VAL 86 8.643 10.573 -13.679 1.00 1.00 ATOM 94 CA ASP 87 7.555 14.049 -14.961 1.00 1.00 ATOM 95 CA PRO 88 6.355 16.461 -12.200 1.00 1.00 ATOM 96 CA GLY 89 4.329 17.676 -14.969 1.00 1.00 ATOM 97 CA GLU 90 2.492 20.852 -13.728 1.00 1.00 ATOM 98 CA SER 91 3.872 20.793 -10.087 1.00 1.00 ATOM 99 CA ARG 92 6.864 22.964 -8.947 1.00 1.00 ATOM 100 CA ILE 93 8.056 20.351 -6.365 1.00 1.00 ATOM 101 CA LEU 94 11.375 19.317 -8.055 1.00 1.00 ATOM 102 CA ALA 95 12.397 22.989 -7.428 1.00 1.00 ATOM 103 CA LEU 96 10.480 23.871 -4.183 1.00 1.00 ATOM 104 CA GLY 97 9.856 20.685 -2.095 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:15:29 2002 Date: Mon, 22 Jul 2002 08:15:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:48:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_600083_12850 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS007_5 Current information on models submitted in prediction T0150TS007 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1CN8_A # Loading PARENT structure: 1cn8 (chain: A) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S -1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1CN8_A ATOM 7 CA SER -1 3.636 20.098 5.948 1.00 1.00 ATOM 8 CA VAL 1 0.904 18.132 3.961 1.00 1.00 ATOM 9 CA ASP 2 0.666 20.851 1.270 1.00 1.00 ATOM 10 CA PHE 3 2.989 18.193 -0.261 1.00 1.00 ATOM 11 CA ALA 4 -0.190 15.969 -0.538 1.00 1.00 ATOM 12 CA PHE 5 -1.816 18.735 -2.666 1.00 1.00 ATOM 13 CA GLU 6 1.345 19.358 -4.794 1.00 1.00 ATOM 14 CA LEU 7 1.766 15.551 -5.324 1.00 1.00 ATOM 15 CA ARG 8 -1.921 15.354 -6.431 1.00 1.00 ATOM 16 CA LYS 9 -0.955 18.288 -8.771 1.00 1.00 ATOM 17 CA ALA 10 1.742 15.898 -10.183 1.00 1.00 ATOM 18 CA GLN 11 -0.761 12.955 -10.337 1.00 1.00 ATOM 19 CA ASP 12 -3.220 14.993 -12.531 1.00 1.00 ATOM 20 CA THR 13 -0.286 16.088 -14.838 1.00 1.00 ATOM 21 CA GLY 14 2.491 13.352 -14.861 1.00 1.00 ATOM 22 CA LYS 15 3.314 9.713 -13.912 1.00 1.00 ATOM 23 CA ILE 16 4.110 8.260 -10.469 1.00 1.00 ATOM 24 CA VAL 17 4.999 4.863 -8.906 1.00 1.00 ATOM 25 CA MET 18 4.670 3.419 -5.342 1.00 1.00 ATOM 26 CA GLY 19 6.233 0.998 -2.825 1.00 1.00 ATOM 27 CA ALA 20 9.779 -0.371 -3.170 1.00 1.00 ATOM 28 CA ARG 21 9.829 -3.391 -5.600 1.00 1.00 ATOM 29 CA LYS 22 7.345 -1.553 -7.878 1.00 1.00 ATOM 30 CA SER 23 9.166 1.844 -7.674 1.00 1.00 ATOM 31 CA ILE 24 12.722 0.380 -8.073 1.00 1.00 ATOM 32 CA GLN 25 11.829 -1.714 -11.181 1.00 1.00 ATOM 33 CA TYR 26 9.891 1.334 -12.508 1.00 1.00 ATOM 34 CA ALA 27 12.875 3.727 -11.979 1.00 1.00 ATOM 35 CA LYS 28 15.564 1.317 -13.303 1.00 1.00 ATOM 36 CA MET 29 13.380 1.178 -16.492 1.00 1.00 ATOM 37 CA GLY 30 11.904 4.774 -16.654 1.00 1.00 ATOM 38 CA GLY 31 14.353 7.123 -14.898 1.00 1.00 ATOM 39 CA ALA 32 13.108 9.120 -11.842 1.00 1.00 ATOM 40 CA LYS 33 13.116 12.795 -10.994 1.00 1.00 ATOM 41 CA LEU 34 11.582 13.985 -7.649 1.00 1.00 ATOM 42 CA ILE 35 10.920 11.230 -5.059 1.00 1.00 ATOM 43 CA ILE 36 9.278 11.006 -1.608 1.00 1.00 ATOM 44 CA VAL 37 10.282 8.692 1.287 1.00 1.00 ATOM 45 CA ALA 38 8.663 8.348 4.743 1.00 1.00 ATOM 46 CA ARG 39 10.888 9.125 7.790 1.00 1.00 ATOM 47 CA ASN 40 10.011 5.532 8.960 1.00 1.00 ATOM 48 CA ALA 41 11.657 3.785 5.951 1.00 1.00 ATOM 49 CA ARG 42 15.032 1.942 6.559 1.00 1.00 ATOM 50 CA PRO 43 18.305 3.959 6.191 1.00 1.00 ATOM 51 CA ASP 44 19.584 1.462 3.551 1.00 1.00 ATOM 52 CA ILE 45 16.185 1.441 1.714 1.00 1.00 ATOM 53 CA LYS 46 15.987 5.307 1.706 1.00 1.00 ATOM 54 CA GLU 47 19.663 5.530 0.562 1.00 1.00 ATOM 55 CA ASP 48 19.030 3.095 -2.351 1.00 1.00 ATOM 56 CA ILE 49 15.873 5.090 -3.306 1.00 1.00 ATOM 57 CA GLU 50 17.983 8.303 -2.954 1.00 1.00 ATOM 58 CA TYR 51 20.535 6.682 -5.349 1.00 1.00 ATOM 59 CA TYR 52 17.631 6.181 -7.856 1.00 1.00 ATOM 60 CA ALA 53 16.913 9.957 -7.460 1.00 1.00 ATOM 61 CA ARG 54 20.713 10.683 -7.791 1.00 1.00 ATOM 62 CA LEU 55 20.635 8.803 -11.187 1.00 1.00 ATOM 63 CA SER 56 18.706 11.896 -12.456 1.00 1.00 ATOM 64 CA GLY 57 20.692 14.093 -9.924 1.00 1.00 ATOM 65 CA ILE 58 17.229 14.945 -8.476 1.00 1.00 ATOM 66 CA PRO 59 16.004 15.113 -4.869 1.00 1.00 ATOM 67 CA VAL 60 14.249 13.233 -2.022 1.00 1.00 ATOM 68 CA TYR 61 11.505 14.570 0.294 1.00 1.00 ATOM 69 CA GLU 62 11.858 13.014 3.816 1.00 1.00 ATOM 70 CA PHE 63 8.127 12.907 4.835 1.00 1.00 ATOM 71 CA GLU 64 7.586 12.759 8.651 1.00 1.00 ATOM 72 CA GLY 65 4.444 10.574 9.182 1.00 1.00 ATOM 73 CA THR 66 4.634 9.669 5.439 1.00 1.00 ATOM 74 CA SER 67 4.278 5.895 6.215 1.00 1.00 ATOM 75 CA VAL 68 0.578 6.700 6.487 1.00 1.00 ATOM 76 CA GLU 69 0.420 10.002 4.623 1.00 1.00 ATOM 77 CA LEU 70 1.922 9.102 1.210 1.00 1.00 ATOM 78 CA GLY 71 -1.221 6.884 0.917 1.00 1.00 ATOM 79 CA THR 72 -3.225 10.103 1.484 1.00 1.00 ATOM 80 CA LEU 73 -0.907 12.065 -0.911 1.00 1.00 ATOM 81 CA LEU 74 -1.493 9.442 -3.699 1.00 1.00 ATOM 82 CA GLY 75 -5.251 9.086 -2.811 1.00 1.00 ATOM 83 CA ARG 76 -5.092 5.271 -2.159 1.00 1.00 ATOM 84 CA PRO 77 -7.317 3.188 0.183 1.00 1.00 ATOM 85 CA HIS 78 -4.170 1.189 1.109 1.00 1.00 ATOM 86 CA THR 79 -1.062 2.871 2.673 1.00 1.00 ATOM 87 CA VAL 80 2.407 3.702 1.276 1.00 1.00 ATOM 88 CA SER 81 5.602 5.414 2.589 1.00 1.00 ATOM 89 CA ALA 82 7.683 5.651 -0.658 1.00 1.00 ATOM 90 CA LEU 83 6.630 7.334 -3.949 1.00 1.00 ATOM 91 CA ALA 84 8.584 8.377 -7.077 1.00 1.00 ATOM 92 CA VAL 85 7.721 10.729 -9.976 1.00 1.00 ATOM 93 CA VAL 86 8.643 10.573 -13.679 1.00 1.00 ATOM 94 CA ASP 87 7.555 14.049 -14.961 1.00 1.00 ATOM 95 CA PRO 88 6.355 16.461 -12.200 1.00 1.00 ATOM 96 CA GLY 89 4.329 17.676 -14.969 1.00 1.00 ATOM 97 CA GLU 90 2.492 20.852 -13.728 1.00 1.00 ATOM 98 CA SER 91 3.872 20.793 -10.087 1.00 1.00 ATOM 99 CA ARG 92 6.864 22.964 -8.947 1.00 1.00 ATOM 100 CA ILE 93 8.056 20.351 -6.365 1.00 1.00 ATOM 101 CA LEU 94 11.375 19.317 -8.055 1.00 1.00 ATOM 102 CA ALA 95 12.397 22.989 -7.428 1.00 1.00 ATOM 103 CA LEU 96 10.480 23.871 -4.183 1.00 1.00 ATOM 104 CA GLY 97 9.856 20.685 -2.095 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:15:40 2002 Date: Mon, 22 Jul 2002 08:15:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:48:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_601284_12851 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS007_3 Current information on models submitted in prediction T0150TS007 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_3 PIN_601284_12851 6269-7633-6117 07/22/02 07:48:13 casp5@bialko.llnl.gov T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_3 PIN_601284_12851 6269-7633-6117 07/22/02 07:48:13 casp5@bialko.llnl.gov T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1CK8_B # Loading PARENT structure: 1ck8 (chain: B) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue S -1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1CK8_B ATOM 7 CA SER -1 3.565 19.690 6.466 1.00 1.00 ATOM 8 CA VAL 1 1.381 17.106 4.609 1.00 1.00 ATOM 9 CA ASP 2 0.235 20.029 2.323 1.00 1.00 ATOM 10 CA PHE 3 2.765 18.300 -0.037 1.00 1.00 ATOM 11 CA ALA 4 -0.258 15.940 -0.654 1.00 1.00 ATOM 12 CA PHE 5 -1.861 18.751 -2.752 1.00 1.00 ATOM 13 CA GLU 6 1.461 19.424 -4.620 1.00 1.00 ATOM 14 CA LEU 7 1.716 15.643 -5.349 1.00 1.00 ATOM 15 CA ARG 8 -1.960 15.536 -6.509 1.00 1.00 ATOM 16 CA LYS 9 -0.882 18.418 -8.858 1.00 1.00 ATOM 17 CA ALA 10 1.839 15.951 -10.057 1.00 1.00 ATOM 18 CA GLN 11 -0.662 13.033 -10.407 1.00 1.00 ATOM 19 CA ASP 12 -3.007 15.147 -12.661 1.00 1.00 ATOM 20 CA THR 13 0.001 16.271 -14.853 1.00 1.00 ATOM 21 CA GLY 14 2.836 13.611 -14.785 1.00 1.00 ATOM 22 CA LYS 15 3.545 9.920 -13.990 1.00 1.00 ATOM 23 CA ILE 16 4.246 8.374 -10.562 1.00 1.00 ATOM 24 CA VAL 17 5.011 4.964 -8.954 1.00 1.00 ATOM 25 CA MET 18 4.765 3.438 -5.413 1.00 1.00 ATOM 26 CA GLY 19 6.259 0.916 -2.940 1.00 1.00 ATOM 27 CA ALA 20 9.745 -0.633 -3.334 1.00 1.00 ATOM 28 CA ARG 21 9.561 -3.615 -5.779 1.00 1.00 ATOM 29 CA LYS 22 7.136 -1.585 -7.988 1.00 1.00 ATOM 30 CA SER 23 9.045 1.743 -7.680 1.00 1.00 ATOM 31 CA ILE 24 12.570 0.311 -8.284 1.00 1.00 ATOM 32 CA GLN 25 11.646 -1.727 -11.419 1.00 1.00 ATOM 33 CA TYR 26 9.894 1.470 -12.637 1.00 1.00 ATOM 34 CA ALA 27 12.884 3.759 -11.724 1.00 1.00 ATOM 35 CA LYS 28 15.614 1.499 -13.189 1.00 1.00 ATOM 36 CA MET 29 13.565 1.522 -16.452 1.00 1.00 ATOM 37 CA GLY 30 11.890 5.021 -16.511 1.00 1.00 ATOM 38 CA GLY 31 14.547 7.212 -14.797 1.00 1.00 ATOM 39 CA ALA 32 12.655 9.296 -12.132 1.00 1.00 ATOM 40 CA LYS 33 13.299 12.912 -10.961 1.00 1.00 ATOM 41 CA LEU 34 11.866 14.055 -7.563 1.00 1.00 ATOM 42 CA ILE 35 10.929 11.327 -5.047 1.00 1.00 ATOM 43 CA ILE 36 9.223 11.171 -1.625 1.00 1.00 ATOM 44 CA VAL 37 10.160 8.761 1.209 1.00 1.00 ATOM 45 CA ALA 38 8.797 8.330 4.751 1.00 1.00 ATOM 46 CA ARG 39 11.288 9.435 7.472 1.00 1.00 ATOM 47 CA ASN 40 10.279 6.123 9.223 1.00 1.00 ATOM 48 CA ALA 41 11.743 3.919 6.364 1.00 1.00 ATOM 49 CA ARG 42 15.121 2.033 6.793 1.00 1.00 ATOM 50 CA PRO 43 18.185 4.314 6.206 1.00 1.00 ATOM 51 CA ASP 44 19.502 1.713 3.697 1.00 1.00 ATOM 52 CA ILE 45 16.130 1.810 1.824 1.00 1.00 ATOM 53 CA LYS 46 16.039 5.663 1.807 1.00 1.00 ATOM 54 CA GLU 47 19.699 5.810 0.591 1.00 1.00 ATOM 55 CA ASP 48 19.005 3.197 -2.145 1.00 1.00 ATOM 56 CA ILE 49 15.878 5.159 -3.251 1.00 1.00 ATOM 57 CA GLU 50 17.977 8.395 -3.065 1.00 1.00 ATOM 58 CA TYR 51 20.465 6.711 -5.481 1.00 1.00 ATOM 59 CA TYR 52 17.504 6.134 -7.913 1.00 1.00 ATOM 60 CA ALA 53 16.801 9.923 -7.639 1.00 1.00 ATOM 61 CA ARG 54 20.597 10.582 -8.105 1.00 1.00 ATOM 62 CA LEU 55 20.370 8.585 -11.433 1.00 1.00 ATOM 63 CA SER 56 18.699 11.791 -12.788 1.00 1.00 ATOM 64 CA GLY 57 20.742 13.917 -10.245 1.00 1.00 ATOM 65 CA ILE 58 17.425 14.868 -8.544 1.00 1.00 ATOM 66 CA PRO 59 16.193 14.919 -4.939 1.00 1.00 ATOM 67 CA VAL 60 14.258 13.287 -2.044 1.00 1.00 ATOM 68 CA TYR 61 11.592 14.692 0.328 1.00 1.00 ATOM 69 CA GLU 62 11.938 13.042 3.799 1.00 1.00 ATOM 70 CA PHE 63 8.197 13.002 4.757 1.00 1.00 ATOM 71 CA GLU 64 7.768 12.691 8.572 1.00 1.00 ATOM 72 CA GLY 65 4.886 10.217 9.251 1.00 1.00 ATOM 73 CA THR 66 4.827 9.650 5.438 1.00 1.00 ATOM 74 CA SER 67 4.362 5.829 5.831 1.00 1.00 ATOM 75 CA VAL 68 0.739 6.761 6.456 1.00 1.00 ATOM 76 CA GLU 69 0.213 10.034 4.585 1.00 1.00 ATOM 77 CA LEU 70 1.851 9.228 1.199 1.00 1.00 ATOM 78 CA GLY 71 -1.243 6.967 0.834 1.00 1.00 ATOM 79 CA THR 72 -3.254 10.237 1.153 1.00 1.00 ATOM 80 CA LEU 73 -0.753 12.084 -1.135 1.00 1.00 ATOM 81 CA LEU 74 -1.580 9.506 -3.891 1.00 1.00 ATOM 82 CA GLY 75 -5.311 9.247 -2.869 1.00 1.00 ATOM 83 CA ARG 76 -5.268 5.427 -2.176 1.00 1.00 ATOM 84 CA PRO 77 -7.174 3.483 0.531 1.00 1.00 ATOM 85 CA HIS 78 -4.018 1.427 1.280 1.00 1.00 ATOM 86 CA THR 79 -0.911 3.104 2.848 1.00 1.00 ATOM 87 CA VAL 80 2.615 3.703 1.439 1.00 1.00 ATOM 88 CA SER 81 5.873 5.441 2.556 1.00 1.00 ATOM 89 CA ALA 82 7.745 5.698 -0.801 1.00 1.00 ATOM 90 CA LEU 83 6.522 7.492 -3.978 1.00 1.00 ATOM 91 CA ALA 84 8.587 8.452 -7.070 1.00 1.00 ATOM 92 CA VAL 85 7.858 10.857 -9.978 1.00 1.00 ATOM 93 CA VAL 86 8.854 10.844 -13.684 1.00 1.00 ATOM 94 CA ASP 87 7.770 14.357 -14.870 1.00 1.00 ATOM 95 CA PRO 88 6.270 16.801 -12.300 1.00 1.00 ATOM 96 CA GLY 89 4.611 17.666 -14.943 1.00 1.00 ATOM 97 CA GLU 90 2.839 20.931 -13.841 1.00 1.00 ATOM 98 CA SER 91 3.907 20.826 -10.108 1.00 1.00 ATOM 99 CA ARG 92 6.722 23.024 -8.667 1.00 1.00 ATOM 100 CA ILE 93 7.902 20.214 -6.258 1.00 1.00 ATOM 101 CA LEU 94 11.324 19.550 -7.900 1.00 1.00 ATOM 102 CA ALA 95 12.378 23.200 -7.249 1.00 1.00 ATOM 103 CA LEU 96 10.297 24.032 -4.063 1.00 1.00 ATOM 104 CA GLY 97 9.982 20.798 -1.985 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:16:18 2002 Date: Mon, 22 Jul 2002 08:16:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:48:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_605187_12854 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS007_4 Current information on models submitted in prediction T0150TS007 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_4 PIN_605187_12854 6269-7633-6117 07/22/02 07:48:52 casp5@bialko.llnl.gov T0150TS007_3 PIN_601284_12851 6269-7633-6117 07/22/02 07:48:13 casp5@bialko.llnl.gov T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS007_1 PIN_592280_12847 6269-7633-6117 07/22/02 07:47:23 casp5@bialko.llnl.gov T0150TS007_2 PIN_593481_12848 6269-7633-6117 07/22/02 07:47:35 casp5@bialko.llnl.gov T0150TS007_3 PIN_601284_12851 6269-7633-6117 07/22/02 07:48:13 casp5@bialko.llnl.gov T0150TS007_4 PIN_605187_12854 6269-7633-6117 07/22/02 07:48:52 casp5@bialko.llnl.gov T0150TS007_5 PIN_600083_12850 6269-7633-6117 07/22/02 07:48:01 casp5@bialko.llnl.gov T0150SS007_1 PIN_697930_12227 6269-7633-6117 07/17/02 07:58:19 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 T0150 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1CN7_A # Loading PARENT structure: 1cn7 (chain: A) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S -1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1CN7_A ATOM 7 CA SER -1 12.121 5.562 -22.531 1.00 1.00 ATOM 8 CA VAL 1 9.898 8.394 -21.196 1.00 1.00 ATOM 9 CA ASP 2 7.984 8.512 -24.550 1.00 1.00 ATOM 10 CA PHE 3 6.092 5.479 -23.106 1.00 1.00 ATOM 11 CA ALA 4 4.103 8.367 -21.403 1.00 1.00 ATOM 12 CA PHE 5 3.393 9.976 -24.829 1.00 1.00 ATOM 13 CA GLU 6 2.174 6.681 -26.428 1.00 1.00 ATOM 14 CA LEU 7 0.255 5.732 -23.218 1.00 1.00 ATOM 15 CA ARG 8 -1.528 9.154 -23.067 1.00 1.00 ATOM 16 CA LYS 9 -2.282 8.743 -26.821 1.00 1.00 ATOM 17 CA ALA 10 -3.896 5.412 -25.705 1.00 1.00 ATOM 18 CA GLN 11 -5.638 6.799 -22.507 1.00 1.00 ATOM 19 CA ASP 12 -7.404 9.304 -24.874 1.00 1.00 ATOM 20 CA THR 13 -9.908 6.404 -25.435 1.00 1.00 ATOM 21 CA GLY 14 -8.295 3.051 -24.331 1.00 1.00 ATOM 22 CA LYS 15 -9.104 1.762 -20.819 1.00 1.00 ATOM 23 CA ILE 16 -6.891 2.103 -17.737 1.00 1.00 ATOM 24 CA VAL 17 -6.680 2.107 -13.862 1.00 1.00 ATOM 25 CA MET 18 -4.634 4.380 -11.447 1.00 1.00 ATOM 26 CA GLY 19 -2.969 3.973 -7.986 1.00 1.00 ATOM 27 CA ALA 20 -2.115 0.798 -5.966 1.00 1.00 ATOM 28 CA ARG 21 -5.656 -0.266 -4.829 1.00 1.00 ATOM 29 CA LYS 22 -7.161 0.549 -8.303 1.00 1.00 ATOM 30 CA SER 23 -4.532 -1.433 -10.245 1.00 1.00 ATOM 31 CA ILE 24 -4.588 -4.317 -7.654 1.00 1.00 ATOM 32 CA GLN 25 -8.439 -4.377 -7.982 1.00 1.00 ATOM 33 CA TYR 26 -8.509 -4.674 -11.813 1.00 1.00 ATOM 34 CA ALA 27 -5.385 -6.912 -11.966 1.00 1.00 ATOM 35 CA LYS 28 -7.243 -9.291 -9.539 1.00 1.00 ATOM 36 CA MET 29 -10.214 -8.943 -11.973 1.00 1.00 ATOM 37 CA GLY 30 -7.668 -10.443 -14.509 1.00 1.00 ATOM 38 CA GLY 31 -8.546 -7.651 -16.981 1.00 1.00 ATOM 39 CA ALA 32 -5.168 -5.941 -17.780 1.00 1.00 ATOM 40 CA LYS 33 -2.536 -6.569 -20.498 1.00 1.00 ATOM 41 CA LEU 34 0.120 -4.044 -19.212 1.00 1.00 ATOM 42 CA ILE 35 1.098 -2.548 -15.787 1.00 1.00 ATOM 43 CA ILE 36 3.268 0.575 -15.382 1.00 1.00 ATOM 44 CA VAL 37 5.137 0.968 -12.084 1.00 1.00 ATOM 45 CA ALA 38 6.745 4.448 -12.070 1.00 1.00 ATOM 46 CA ARG 39 8.541 4.206 -8.709 1.00 1.00 ATOM 47 CA ASN 40 11.856 2.644 -7.496 1.00 1.00 ATOM 48 CA ALA 41 9.543 0.089 -5.919 1.00 1.00 ATOM 49 CA ARG 42 10.626 -2.144 -2.951 1.00 1.00 ATOM 50 CA PRO 43 10.942 -5.926 -3.512 1.00 1.00 ATOM 51 CA ASP 44 7.748 -7.063 -1.672 1.00 1.00 ATOM 52 CA ILE 45 5.580 -4.342 -3.344 1.00 1.00 ATOM 53 CA LYS 46 7.003 -4.772 -6.876 1.00 1.00 ATOM 54 CA GLU 47 6.654 -8.569 -6.407 1.00 1.00 ATOM 55 CA ASP 48 2.968 -8.337 -5.323 1.00 1.00 ATOM 56 CA ILE 49 2.193 -6.192 -8.471 1.00 1.00 ATOM 57 CA GLU 50 4.262 -8.665 -10.516 1.00 1.00 ATOM 58 CA TYR 51 2.253 -11.547 -8.895 1.00 1.00 ATOM 59 CA TYR 52 -1.035 -9.888 -10.013 1.00 1.00 ATOM 60 CA ALA 53 0.547 -9.291 -13.484 1.00 1.00 ATOM 61 CA ARG 54 1.249 -13.117 -13.497 1.00 1.00 ATOM 62 CA LEU 55 -2.290 -14.040 -12.173 1.00 1.00 ATOM 63 CA SER 56 -3.727 -11.775 -14.896 1.00 1.00 ATOM 64 CA GLY 57 -1.892 -12.056 -18.303 1.00 1.00 ATOM 65 CA ILE 58 -0.074 -8.766 -18.072 1.00 1.00 ATOM 66 CA PRO 59 3.316 -7.226 -19.021 1.00 1.00 ATOM 67 CA VAL 60 5.306 -5.240 -16.380 1.00 1.00 ATOM 68 CA TYR 61 7.026 -1.890 -17.127 1.00 1.00 ATOM 69 CA GLU 62 9.261 -0.435 -14.358 1.00 1.00 ATOM 70 CA PHE 63 9.285 3.328 -15.232 1.00 1.00 ATOM 71 CA GLU 64 11.234 3.468 -11.957 1.00 1.00 ATOM 72 CA GLY 65 13.010 6.861 -12.441 1.00 1.00 ATOM 73 CA THR 66 11.787 8.719 -9.288 1.00 1.00 ATOM 74 CA SER 67 10.706 11.739 -11.445 1.00 1.00 ATOM 75 CA VAL 68 7.744 9.595 -12.708 1.00 1.00 ATOM 76 CA GLU 69 6.947 11.827 -15.757 1.00 1.00 ATOM 77 CA LEU 70 4.039 9.356 -16.414 1.00 1.00 ATOM 78 CA GLY 71 1.883 11.714 -14.259 1.00 1.00 ATOM 79 CA THR 72 1.654 13.783 -17.514 1.00 1.00 ATOM 80 CA LEU 73 -0.495 10.946 -19.038 1.00 1.00 ATOM 81 CA LEU 74 -2.732 10.380 -15.947 1.00 1.00 ATOM 82 CA GLY 75 -2.764 13.512 -13.679 1.00 1.00 ATOM 83 CA ARG 76 0.455 13.958 -11.564 1.00 1.00 ATOM 84 CA PRO 77 -1.441 14.257 -8.164 1.00 1.00 ATOM 85 CA HIS 78 -0.511 10.615 -7.235 1.00 1.00 ATOM 86 CA THR 79 3.221 11.752 -7.510 1.00 1.00 ATOM 87 CA VAL 80 4.261 8.110 -7.973 1.00 1.00 ATOM 88 CA SER 81 2.988 6.613 -11.266 1.00 1.00 ATOM 89 CA ALA 82 1.395 3.162 -10.788 1.00 1.00 ATOM 90 CA LEU 83 -0.982 2.574 -13.754 1.00 1.00 ATOM 91 CA ALA 84 -2.413 -0.394 -15.684 1.00 1.00 ATOM 92 CA VAL 85 -3.976 -0.763 -19.174 1.00 1.00 ATOM 93 CA VAL 86 -6.872 -3.076 -20.125 1.00 1.00 ATOM 94 CA ASP 87 -8.940 -2.500 -23.361 1.00 1.00 ATOM 95 CA PRO 88 -6.338 -0.393 -25.268 1.00 1.00 ATOM 96 CA GLY 89 -8.958 0.245 -28.063 1.00 1.00 ATOM 97 CA GLU 90 -6.883 3.187 -29.436 1.00 1.00 ATOM 98 CA SER 91 -3.164 2.371 -30.094 1.00 1.00 ATOM 99 CA ARG 92 -1.354 -1.009 -30.042 1.00 1.00 ATOM 100 CA ILE 93 0.822 -0.121 -26.975 1.00 1.00 ATOM 101 CA LEU 94 0.394 -3.311 -24.876 1.00 1.00 ATOM 102 CA ALA 95 0.833 -5.624 -27.913 1.00 1.00 ATOM 103 CA LEU 96 3.881 -3.479 -29.005 1.00 1.00 ATOM 104 CA GLY 97 5.519 -3.662 -25.498 1.00 1.00 TER END ################################ # # # END # # # ################################