From mailer@bialko.llnl.gov Mon Jun 24 08:38:38 2002 Date: Mon, 24 Jun 2002 08:38:33 -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 08:11:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_230862_10852 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137SS007_1 Current information on models submitted in prediction T0137SS007 MODEL_INDEX PIN CODE DATE E-mail T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 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: 133 # Number of residues with nonzero confidence: 133 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0137 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-24767.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-29882//target-align-29882.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 34.2793 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-24767.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc54.4370/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Jun 17 12:51:36 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-29882//target-align-29882.a2m METHOD METHOD guide seq name: seed-seqs-24767.a2m(1), 133 bases, 4584109B checksum. METHOD ###end 0 MODEL 1 M C 0.606 E C 0.586 A C 0.517 F C 0.37 L C 0.383 G E 0.453 T E 0.501 W E 0.552 K E 0.563 M E 0.533 E E 0.395 K C 0.527 S C 0.557 E C 0.542 G C 0.566 F H 0.711 D H 0.754 K H 0.81 I H 0.806 M H 0.808 E H 0.803 R H 0.783 L H 0.677 G C 0.647 V C 0.678 D C 0.607 F H 0.57 V H 0.617 T H 0.631 R H 0.641 K H 0.636 M H 0.614 G H 0.561 N H 0.499 L C 0.415 V C 0.529 K C 0.654 P C 0.595 N C 0.425 L E 0.572 I E 0.642 V E 0.649 T E 0.579 D E 0.483 L C 0.502 G C 0.688 G C 0.755 G C 0.687 K E 0.466 Y E 0.628 K E 0.665 M E 0.654 R E 0.585 S E 0.52 E E 0.447 S C 0.45 T C 0.484 F C 0.465 K C 0.42 T E 0.423 T E 0.523 E E 0.569 C E 0.594 S E 0.605 F E 0.633 K E 0.604 L E 0.541 G C 0.457 E C 0.418 K E 0.431 F E 0.465 K E 0.43 E E 0.4 V E 0.386 T C 0.447 P C 0.568 D C 0.669 S C 0.683 R C 0.548 E E 0.481 V E 0.568 A E 0.593 S E 0.63 L E 0.664 I E 0.667 T E 0.616 V E 0.504 E C 0.558 N C 0.66 G C 0.66 V E 0.487 M E 0.614 K E 0.625 H E 0.602 E E 0.57 Q E 0.518 D C 0.448 D C 0.615 K C 0.677 T C 0.673 K C 0.602 V C 0.432 T E 0.496 Y E 0.561 I E 0.59 E E 0.582 R E 0.574 V E 0.564 V E 0.517 E C 0.463 G C 0.637 N C 0.61 E E 0.459 L E 0.619 K E 0.651 A E 0.653 T E 0.651 V E 0.641 K E 0.602 V E 0.518 D C 0.539 E C 0.555 V E 0.486 V E 0.56 C E 0.556 V E 0.539 R E 0.538 T E 0.539 Y E 0.523 S E 0.454 K E 0.411 V C 0.479 A C 0.865 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:21:18 2002 Date: Wed, 24 Jul 2002 17:21:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 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 16:53:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_657958_14072 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS007_1 Current information on models submitted in prediction T0137TS007 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 casp5@bialko.llnl.gov T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1BWY_A # Loading PARENT structure: 1bwy (chain: A) # Number of residues in PARENT structure: 132 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1BWY_A ATOM 1 CA MET 1 10.086 -11.901 -3.311 1.00 1.00 ATOM 2 CA GLU 2 13.882 -11.270 -3.621 1.00 1.00 ATOM 3 CA ALA 3 13.427 -7.775 -5.091 1.00 1.00 ATOM 4 CA PHE 4 10.664 -6.078 -3.054 1.00 1.00 ATOM 5 CA LEU 5 12.971 -6.064 0.024 1.00 1.00 ATOM 6 CA GLY 6 13.945 -2.421 0.751 1.00 1.00 ATOM 7 CA THR 7 13.046 1.261 0.250 1.00 1.00 ATOM 8 CA TRP 8 11.837 2.521 -3.131 1.00 1.00 ATOM 9 CA LYS 9 11.451 5.997 -4.682 1.00 1.00 ATOM 10 CA MET 10 8.600 6.797 -7.117 1.00 1.00 ATOM 11 CA GLU 11 10.001 7.635 -10.574 1.00 1.00 ATOM 12 CA LYS 12 7.401 7.504 -13.414 1.00 1.00 ATOM 13 CA SER 13 3.582 7.568 -13.197 1.00 1.00 ATOM 14 CA GLU 14 0.553 9.007 -15.091 1.00 1.00 ATOM 15 CA GLY 15 -3.283 8.697 -15.234 1.00 1.00 ATOM 16 CA PHE 16 -3.833 8.685 -11.428 1.00 1.00 ATOM 17 CA ASP 17 -6.171 11.633 -11.991 1.00 1.00 ATOM 18 CA LYS 18 -8.564 9.861 -14.415 1.00 1.00 ATOM 19 CA ILE 19 -8.456 6.667 -12.342 1.00 1.00 ATOM 20 CA MET 20 -9.476 8.498 -9.144 1.00 1.00 ATOM 21 CA GLU 21 -11.939 10.687 -11.148 1.00 1.00 ATOM 22 CA ARG 22 -14.046 7.484 -11.431 1.00 1.00 ATOM 23 CA LEU 23 -12.868 5.141 -8.632 1.00 1.00 ATOM 24 CA GLY 24 -13.538 7.886 -6.044 1.00 1.00 ATOM 25 CA VAL 25 -10.084 7.624 -4.431 1.00 1.00 ATOM 26 CA ASP 26 -9.764 11.422 -4.576 1.00 1.00 ATOM 27 CA PHE 27 -11.777 13.005 -7.427 1.00 1.00 ATOM 28 CA VAL 28 -9.849 16.125 -6.242 1.00 1.00 ATOM 29 CA THR 29 -7.270 15.025 -3.622 1.00 1.00 ATOM 30 CA ARG 30 -5.376 12.878 -6.121 1.00 1.00 ATOM 31 CA LYS 31 -4.711 16.052 -8.198 1.00 1.00 ATOM 32 CA MET 32 -1.851 16.450 -5.666 1.00 1.00 ATOM 33 CA GLY 33 -1.846 12.851 -4.326 1.00 1.00 ATOM 34 CA ASN 34 -0.891 11.783 -7.904 1.00 1.00 ATOM 35 CA LEU 35 2.610 13.216 -7.314 1.00 1.00 ATOM 36 CA VAL 36 2.896 13.270 -3.503 1.00 1.00 ATOM 37 CA LYS 37 4.203 9.699 -2.920 1.00 1.00 ATOM 38 CA PRO 38 8.008 10.139 -3.277 1.00 1.00 ATOM 39 CA ASN 39 9.129 7.198 -1.072 1.00 1.00 ATOM 40 CA LEU 40 7.655 3.749 -0.403 1.00 1.00 ATOM 41 CA ILE 41 9.240 1.377 2.131 1.00 1.00 ATOM 42 CA VAL 42 8.620 -2.338 1.361 1.00 1.00 ATOM 43 CA THR 43 9.776 -4.433 4.345 1.00 1.00 ATOM 44 CA LEU 45 9.504 -8.138 3.517 1.00 1.00 ATOM 45 CA GLY 46 8.679 -10.225 6.631 1.00 1.00 ATOM 46 CA GLY 47 8.985 -14.031 7.258 1.00 1.00 ATOM 47 CA GLY 48 6.068 -15.219 5.052 1.00 1.00 ATOM 48 CA LYS 49 4.733 -11.685 4.604 1.00 1.00 ATOM 49 CA TYR 50 5.495 -8.072 3.637 1.00 1.00 ATOM 50 CA LYS 51 4.560 -4.617 5.009 1.00 1.00 ATOM 51 CA MET 52 4.235 -1.513 2.806 1.00 1.00 ATOM 52 CA ARG 53 5.007 1.946 4.259 1.00 1.00 ATOM 53 CA SER 54 3.787 4.846 2.097 1.00 1.00 ATOM 54 CA GLU 55 6.223 7.418 3.469 1.00 1.00 ATOM 55 CA SER 56 5.322 10.811 1.956 1.00 1.00 ATOM 56 CA THR 57 4.909 14.412 3.151 1.00 1.00 ATOM 57 CA PHE 58 1.136 14.999 3.098 1.00 1.00 ATOM 58 CA LYS 59 -0.703 11.729 3.937 1.00 1.00 ATOM 59 CA THR 60 1.039 8.457 4.960 1.00 1.00 ATOM 60 CA THR 61 -0.361 4.884 5.043 1.00 1.00 ATOM 61 CA GLU 62 1.016 1.431 5.948 1.00 1.00 ATOM 62 CA CYS 63 -0.422 -2.131 5.996 1.00 1.00 ATOM 63 CA SER 64 0.921 -5.699 6.433 1.00 1.00 ATOM 64 CA PHE 65 -0.035 -8.309 3.784 1.00 1.00 ATOM 65 CA LYS 66 0.560 -12.084 3.493 1.00 1.00 ATOM 66 CA LEU 67 1.350 -13.364 -0.027 1.00 1.00 ATOM 67 CA GLY 68 -1.286 -16.145 -0.351 1.00 1.00 ATOM 68 CA GLU 69 -4.193 -14.708 1.755 1.00 1.00 ATOM 69 CA LYS 70 -7.121 -12.273 1.444 1.00 1.00 ATOM 70 CA PHE 71 -7.530 -9.518 4.087 1.00 1.00 ATOM 71 CA LYS 72 -10.315 -6.903 4.560 1.00 1.00 ATOM 72 CA GLU 73 -8.650 -3.532 5.262 1.00 1.00 ATOM 73 CA VAL 74 -8.940 0.252 4.682 1.00 1.00 ATOM 74 CA THR 75 -6.148 2.370 3.203 1.00 1.00 ATOM 75 CA PRO 76 -7.170 6.054 3.083 1.00 1.00 ATOM 76 CA ASP 77 -6.699 5.932 -0.707 1.00 1.00 ATOM 77 CA SER 78 -8.797 2.834 -1.372 1.00 1.00 ATOM 78 CA ARG 79 -11.420 2.766 1.445 1.00 1.00 ATOM 79 CA GLU 80 -12.295 -0.633 2.992 1.00 1.00 ATOM 80 CA VAL 81 -11.491 -3.345 0.412 1.00 1.00 ATOM 81 CA ALA 82 -10.724 -7.100 0.538 1.00 1.00 ATOM 82 CA SER 83 -7.164 -7.406 -0.765 1.00 1.00 ATOM 83 CA LEU 84 -6.151 -10.864 -2.052 1.00 1.00 ATOM 84 CA ILE 85 -2.381 -11.045 -2.598 1.00 1.00 ATOM 85 CA THR 86 -0.217 -13.781 -4.128 1.00 1.00 ATOM 86 CA VAL 87 2.917 -14.209 -6.282 1.00 1.00 ATOM 87 CA GLU 88 2.652 -15.884 -9.737 1.00 1.00 ATOM 88 CA ASN 89 6.030 -16.767 -11.336 1.00 1.00 ATOM 89 CA GLY 90 7.696 -13.465 -10.306 1.00 1.00 ATOM 90 CA VAL 91 4.624 -11.155 -10.312 1.00 1.00 ATOM 91 CA MET 92 3.088 -10.006 -7.011 1.00 1.00 ATOM 92 CA LYS 93 -0.622 -9.966 -7.927 1.00 1.00 ATOM 93 CA HIS 94 -2.619 -7.840 -5.467 1.00 1.00 ATOM 94 CA GLU 95 -6.246 -8.209 -6.592 1.00 1.00 ATOM 95 CA GLN 96 -8.442 -5.867 -4.554 1.00 1.00 ATOM 96 CA ASP 97 -12.052 -6.974 -4.237 1.00 1.00 ATOM 97 CA ASP 98 -14.703 -4.748 -2.589 1.00 1.00 ATOM 98 CA LYS 99 -18.199 -5.272 -4.070 1.00 1.00 ATOM 99 CA THR 100 -19.552 -3.403 -7.122 1.00 1.00 ATOM 100 CA LYS 101 -16.158 -3.834 -8.783 1.00 1.00 ATOM 101 CA VAL 102 -12.603 -4.838 -7.922 1.00 1.00 ATOM 102 CA THR 103 -9.199 -3.503 -8.998 1.00 1.00 ATOM 103 CA TYR 104 -5.707 -4.953 -9.511 1.00 1.00 ATOM 104 CA ILE 105 -2.314 -3.659 -8.285 1.00 1.00 ATOM 105 CA GLU 106 0.118 -6.103 -9.940 1.00 1.00 ATOM 106 CA ARG 107 3.786 -5.509 -8.953 1.00 1.00 ATOM 107 CA VAL 108 7.020 -6.785 -10.573 1.00 1.00 ATOM 108 CA VAL 109 10.660 -5.645 -10.813 1.00 1.00 ATOM 109 CA GLU 110 12.501 -6.331 -14.023 1.00 1.00 ATOM 110 CA GLY 111 15.491 -4.177 -14.987 1.00 1.00 ATOM 111 CA ASN 112 15.880 -1.767 -11.990 1.00 1.00 ATOM 112 CA GLU 113 12.266 -0.524 -11.620 1.00 1.00 ATOM 113 CA LEU 114 9.432 -2.096 -9.629 1.00 1.00 ATOM 114 CA LYS 115 6.608 -1.546 -12.120 1.00 1.00 ATOM 115 CA ALA 116 3.152 -1.543 -10.485 1.00 1.00 ATOM 116 CA THR 117 0.277 -1.841 -12.978 1.00 1.00 ATOM 117 CA VAL 118 -2.847 -0.370 -11.327 1.00 1.00 ATOM 118 CA LYS 119 -5.901 -1.537 -13.370 1.00 1.00 ATOM 119 CA VAL 120 -9.660 -1.163 -12.596 1.00 1.00 ATOM 120 CA ASP 121 -12.997 -1.780 -14.347 1.00 1.00 ATOM 121 CA GLU 122 -12.106 1.161 -16.633 1.00 1.00 ATOM 122 CA VAL 123 -8.916 3.252 -16.219 1.00 1.00 ATOM 123 CA VAL 124 -5.259 2.143 -15.885 1.00 1.00 ATOM 124 CA CYS 125 -2.135 3.644 -14.272 1.00 1.00 ATOM 125 CA VAL 126 1.511 2.702 -14.571 1.00 1.00 ATOM 126 CA ARG 127 3.139 3.409 -11.167 1.00 1.00 ATOM 127 CA THR 128 6.930 2.856 -11.211 1.00 1.00 ATOM 128 CA TYR 129 9.234 2.613 -8.185 1.00 1.00 ATOM 129 CA SER 130 13.069 2.657 -8.192 1.00 1.00 ATOM 130 CA LYS 131 15.067 1.140 -5.298 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:22:29 2002 Date: Wed, 24 Jul 2002 17:22:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 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 16:55:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_675363_14077 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS007_2 Current information on models submitted in prediction T0137TS007 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1G5W_A # Loading PARENT structure: 1g5w (chain: A) # Number of residues in PARENT structure: 132 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1G5W_A ATOM 1 CA MET 1 6.124 -13.888 -10.032 1.00 1.00 ATOM 2 CA GLU 2 9.877 -13.660 -8.823 1.00 1.00 ATOM 3 CA ALA 3 10.904 -10.394 -10.662 1.00 1.00 ATOM 4 CA PHE 4 8.073 -8.493 -8.732 1.00 1.00 ATOM 5 CA LEU 5 9.444 -9.514 -5.200 1.00 1.00 ATOM 6 CA GLY 6 11.211 -6.348 -3.853 1.00 1.00 ATOM 7 CA THR 7 10.962 -2.681 -2.708 1.00 1.00 ATOM 8 CA TRP 8 9.979 -0.080 -5.419 1.00 1.00 ATOM 9 CA LYS 9 9.948 3.794 -4.968 1.00 1.00 ATOM 10 CA MET 10 8.003 6.168 -7.376 1.00 1.00 ATOM 11 CA GLU 11 10.299 7.702 -10.077 1.00 1.00 ATOM 12 CA LYS 12 7.661 9.229 -12.574 1.00 1.00 ATOM 13 CA SER 13 3.789 9.621 -12.599 1.00 1.00 ATOM 14 CA GLU 14 2.635 10.730 -16.135 1.00 1.00 ATOM 15 CA GLY 15 -1.125 11.835 -16.294 1.00 1.00 ATOM 16 CA PHE 16 -1.886 11.355 -12.460 1.00 1.00 ATOM 17 CA ASP 17 -4.342 14.358 -11.887 1.00 1.00 ATOM 18 CA LYS 18 -6.344 13.389 -15.149 1.00 1.00 ATOM 19 CA ILE 19 -6.961 9.771 -13.815 1.00 1.00 ATOM 20 CA MET 20 -7.862 11.190 -10.267 1.00 1.00 ATOM 21 CA GLU 21 -10.552 13.613 -11.766 1.00 1.00 ATOM 22 CA ARG 22 -12.072 10.716 -13.953 1.00 1.00 ATOM 23 CA LEU 23 -12.657 8.599 -10.716 1.00 1.00 ATOM 24 CA GLY 24 -14.017 11.545 -8.544 1.00 1.00 ATOM 25 CA VAL 25 -11.271 12.810 -6.117 1.00 1.00 ATOM 26 CA ASP 26 -11.389 16.411 -4.643 1.00 1.00 ATOM 27 CA PHE 27 -8.628 19.055 -5.236 1.00 1.00 ATOM 28 CA VAL 28 -6.540 18.789 -1.932 1.00 1.00 ATOM 29 CA THR 29 -6.230 14.880 -2.033 1.00 1.00 ATOM 30 CA ARG 30 -5.608 15.039 -5.902 1.00 1.00 ATOM 31 CA LYS 31 -2.676 17.600 -5.391 1.00 1.00 ATOM 32 CA MET 32 -1.115 15.993 -2.150 1.00 1.00 ATOM 33 CA GLY 33 -1.146 12.418 -3.784 1.00 1.00 ATOM 34 CA ASN 34 0.719 13.783 -6.953 1.00 1.00 ATOM 35 CA LEU 35 3.417 15.437 -4.648 1.00 1.00 ATOM 36 CA VAL 36 3.685 12.112 -2.574 1.00 1.00 ATOM 37 CA LYS 37 6.095 9.360 -3.864 1.00 1.00 ATOM 38 CA PRO 38 4.594 6.019 -2.362 1.00 1.00 ATOM 39 CA ASN 39 6.784 2.868 -1.859 1.00 1.00 ATOM 40 CA LEU 40 5.135 -0.302 -3.404 1.00 1.00 ATOM 41 CA ILE 41 6.710 -3.470 -1.768 1.00 1.00 ATOM 42 CA VAL 42 5.652 -6.964 -3.165 1.00 1.00 ATOM 43 CA THR 43 6.395 -9.936 -0.760 1.00 1.00 ATOM 44 CA LEU 45 5.595 -13.742 -0.568 1.00 1.00 ATOM 45 CA GLY 46 4.566 -16.249 2.217 1.00 1.00 ATOM 46 CA GLY 47 3.005 -19.478 0.703 1.00 1.00 ATOM 47 CA GLY 48 0.954 -18.353 -2.377 1.00 1.00 ATOM 48 CA LYS 49 -0.184 -15.239 -0.242 1.00 1.00 ATOM 49 CA TYR 50 1.307 -12.198 -2.137 1.00 1.00 ATOM 50 CA LYS 51 1.497 -9.122 0.212 1.00 1.00 ATOM 51 CA MET 52 1.663 -5.820 -1.856 1.00 1.00 ATOM 52 CA ARG 53 2.124 -2.849 0.569 1.00 1.00 ATOM 53 CA SER 54 1.711 0.695 -0.984 1.00 1.00 ATOM 54 CA GLU 55 3.377 2.993 1.664 1.00 1.00 ATOM 55 CA SER 56 1.828 6.505 1.066 1.00 1.00 ATOM 56 CA THR 57 1.548 9.832 3.030 1.00 1.00 ATOM 57 CA PHE 58 -2.332 9.355 3.100 1.00 1.00 ATOM 58 CA LYS 59 -3.259 5.693 4.110 1.00 1.00 ATOM 59 CA THR 60 -0.972 2.570 3.725 1.00 1.00 ATOM 60 CA THR 61 -2.944 -0.171 1.779 1.00 1.00 ATOM 61 CA GLU 62 -2.060 -3.919 2.192 1.00 1.00 ATOM 62 CA CYS 63 -3.512 -6.399 -0.436 1.00 1.00 ATOM 63 CA SER 64 -2.969 -10.225 0.099 1.00 1.00 ATOM 64 CA PHE 65 -3.635 -12.298 -3.130 1.00 1.00 ATOM 65 CA LYS 66 -3.533 -15.911 -4.570 1.00 1.00 ATOM 66 CA LEU 67 -3.453 -15.325 -8.483 1.00 1.00 ATOM 67 CA GLY 68 -7.011 -15.830 -9.927 1.00 1.00 ATOM 68 CA GLU 69 -9.045 -15.100 -6.666 1.00 1.00 ATOM 69 CA LYS 70 -11.501 -12.082 -6.368 1.00 1.00 ATOM 70 CA PHE 71 -11.384 -10.427 -2.845 1.00 1.00 ATOM 71 CA LYS 72 -13.428 -7.528 -1.232 1.00 1.00 ATOM 72 CA GLU 73 -11.029 -4.621 -0.299 1.00 1.00 ATOM 73 CA VAL 74 -11.322 -1.050 1.201 1.00 1.00 ATOM 74 CA THR 75 -9.086 1.518 -0.681 1.00 1.00 ATOM 75 CA PRO 76 -7.164 4.671 0.560 1.00 1.00 ATOM 76 CA ASP 77 -10.023 6.846 -1.002 1.00 1.00 ATOM 77 CA SER 78 -12.550 4.798 1.277 1.00 1.00 ATOM 78 CA ARG 79 -14.231 2.437 -1.321 1.00 1.00 ATOM 79 CA GLU 80 -15.535 -1.203 -1.330 1.00 1.00 ATOM 80 CA VAL 81 -13.893 -2.817 -4.485 1.00 1.00 ATOM 81 CA ALA 82 -13.912 -6.494 -5.783 1.00 1.00 ATOM 82 CA SER 83 -10.201 -7.111 -6.581 1.00 1.00 ATOM 83 CA LEU 84 -9.171 -9.804 -9.208 1.00 1.00 ATOM 84 CA ILE 85 -5.346 -10.091 -9.924 1.00 1.00 ATOM 85 CA THR 86 -3.826 -12.934 -12.082 1.00 1.00 ATOM 86 CA VAL 87 -0.303 -13.563 -13.563 1.00 1.00 ATOM 87 CA GLU 88 -0.056 -13.335 -17.442 1.00 1.00 ATOM 88 CA ASN 89 3.592 -14.465 -18.216 1.00 1.00 ATOM 89 CA GLY 90 5.199 -12.108 -15.594 1.00 1.00 ATOM 90 CA VAL 91 2.423 -9.410 -15.608 1.00 1.00 ATOM 91 CA MET 92 0.042 -8.816 -12.587 1.00 1.00 ATOM 92 CA LYS 93 -3.184 -7.857 -14.419 1.00 1.00 ATOM 93 CA HIS 94 -5.313 -6.408 -11.524 1.00 1.00 ATOM 94 CA GLU 95 -8.998 -5.236 -11.894 1.00 1.00 ATOM 95 CA GLN 96 -10.838 -3.414 -9.014 1.00 1.00 ATOM 96 CA ASP 97 -14.635 -3.211 -9.847 1.00 1.00 ATOM 97 CA ASP 98 -17.465 -1.308 -7.959 1.00 1.00 ATOM 98 CA LYS 99 -21.045 -0.170 -9.022 1.00 1.00 ATOM 99 CA THR 100 -20.438 0.698 -12.775 1.00 1.00 ATOM 100 CA LYS 101 -16.879 2.157 -12.156 1.00 1.00 ATOM 101 CA VAL 102 -13.861 -0.223 -12.716 1.00 1.00 ATOM 102 CA THR 103 -10.082 0.666 -12.731 1.00 1.00 ATOM 103 CA TYR 104 -7.272 -1.717 -13.980 1.00 1.00 ATOM 104 CA ILE 105 -3.832 -1.611 -12.178 1.00 1.00 ATOM 105 CA GLU 106 -1.632 -3.462 -14.813 1.00 1.00 ATOM 106 CA ARG 107 1.941 -4.010 -13.381 1.00 1.00 ATOM 107 CA VAL 108 4.571 -4.954 -16.070 1.00 1.00 ATOM 108 CA VAL 109 8.444 -5.335 -15.826 1.00 1.00 ATOM 109 CA GLU 110 10.219 -3.228 -18.559 1.00 1.00 ATOM 110 CA GLY 111 14.104 -3.175 -18.149 1.00 1.00 ATOM 111 CA ASN 112 14.076 -3.839 -14.306 1.00 1.00 ATOM 112 CA GLU 113 11.255 -1.203 -13.681 1.00 1.00 ATOM 113 CA LEU 114 7.693 -1.807 -12.267 1.00 1.00 ATOM 114 CA LYS 115 5.358 0.052 -14.740 1.00 1.00 ATOM 115 CA ALA 116 1.948 0.540 -12.938 1.00 1.00 ATOM 116 CA THR 117 -0.551 1.408 -15.768 1.00 1.00 ATOM 117 CA VAL 118 -3.723 2.926 -14.119 1.00 1.00 ATOM 118 CA LYS 119 -6.588 3.009 -16.771 1.00 1.00 ATOM 119 CA VAL 120 -10.215 4.176 -15.958 1.00 1.00 ATOM 120 CA ASP 121 -12.335 6.699 -18.068 1.00 1.00 ATOM 121 CA GLU 122 -10.224 8.157 -20.975 1.00 1.00 ATOM 122 CA VAL 123 -7.075 8.826 -18.745 1.00 1.00 ATOM 123 CA VAL 124 -4.212 6.226 -18.498 1.00 1.00 ATOM 124 CA CYS 125 -1.610 7.153 -15.786 1.00 1.00 ATOM 125 CA VAL 126 1.667 5.277 -16.667 1.00 1.00 ATOM 126 CA ARG 127 3.806 5.194 -13.445 1.00 1.00 ATOM 127 CA THR 128 7.567 4.272 -13.671 1.00 1.00 ATOM 128 CA TYR 129 9.121 2.798 -10.435 1.00 1.00 ATOM 129 CA SER 130 12.892 1.884 -10.062 1.00 1.00 ATOM 130 CA LYS 131 13.976 -1.055 -7.774 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:23:08 2002 Date: Wed, 24 Jul 2002 17:23:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 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 16:55:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_676762_14078 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS007_5 Current information on models submitted in prediction T0137TS007 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1ADL # Loading PARENT structure: 1adl (chain: ) # Number of residues in PARENT structure: 131 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1ADL ATOM 1 CA MET 1 -27.656 65.028 -5.167 1.00 1.00 ATOM 2 CA GLU 2 -26.989 61.531 -6.573 1.00 1.00 ATOM 3 CA ALA 3 -29.456 59.975 -4.120 1.00 1.00 ATOM 4 CA PHE 4 -32.270 61.773 -5.967 1.00 1.00 ATOM 5 CA LEU 5 -31.358 60.831 -9.530 1.00 1.00 ATOM 6 CA GLY 6 -33.892 58.620 -11.292 1.00 1.00 ATOM 7 CA THR 7 -37.550 58.247 -12.196 1.00 1.00 ATOM 8 CA TRP 8 -40.078 58.089 -9.368 1.00 1.00 ATOM 9 CA LYS 9 -43.797 57.287 -9.339 1.00 1.00 ATOM 10 CA MET 10 -46.344 58.605 -6.865 1.00 1.00 ATOM 11 CA GLU 11 -47.568 56.006 -4.387 1.00 1.00 ATOM 12 CA LYS 12 -49.451 58.021 -1.755 1.00 1.00 ATOM 13 CA SER 13 -50.663 61.556 -1.099 1.00 1.00 ATOM 14 CA GLU 14 -51.828 63.226 2.098 1.00 1.00 ATOM 15 CA GLY 15 -53.591 66.611 2.449 1.00 1.00 ATOM 16 CA PHE 16 -52.685 67.655 -1.112 1.00 1.00 ATOM 17 CA ASP 17 -56.079 69.203 -1.913 1.00 1.00 ATOM 18 CA LYS 18 -55.891 71.221 1.329 1.00 1.00 ATOM 19 CA ILE 19 -52.420 72.452 0.401 1.00 1.00 ATOM 20 CA MET 20 -53.639 73.493 -3.069 1.00 1.00 ATOM 21 CA GLU 21 -56.664 75.209 -1.490 1.00 1.00 ATOM 22 CA ARG 22 -54.250 77.230 0.759 1.00 1.00 ATOM 23 CA LEU 23 -52.018 78.130 -2.198 1.00 1.00 ATOM 24 CA GLY 24 -55.135 79.333 -4.016 1.00 1.00 ATOM 25 CA VAL 25 -55.612 76.737 -6.748 1.00 1.00 ATOM 26 CA ASP 26 -59.018 76.744 -8.463 1.00 1.00 ATOM 27 CA PHE 27 -61.544 73.906 -8.153 1.00 1.00 ATOM 28 CA VAL 28 -61.083 72.492 -11.667 1.00 1.00 ATOM 29 CA THR 29 -57.299 72.542 -11.488 1.00 1.00 ATOM 30 CA ARG 30 -57.411 70.965 -8.014 1.00 1.00 ATOM 31 CA LYS 31 -59.573 68.145 -9.350 1.00 1.00 ATOM 32 CA MET 32 -57.277 67.463 -12.327 1.00 1.00 ATOM 33 CA GLY 33 -54.199 67.591 -10.078 1.00 1.00 ATOM 34 CA ASN 34 -55.746 65.162 -7.621 1.00 1.00 ATOM 35 CA LEU 35 -56.453 62.653 -10.385 1.00 1.00 ATOM 36 CA VAL 36 -52.947 62.722 -11.825 1.00 1.00 ATOM 37 CA LYS 37 -50.403 60.152 -10.615 1.00 1.00 ATOM 38 CA PRO 38 -47.300 62.003 -11.876 1.00 1.00 ATOM 39 CA ASN 39 -43.840 60.587 -12.446 1.00 1.00 ATOM 40 CA LEU 40 -40.949 62.704 -11.203 1.00 1.00 ATOM 41 CA ILE 41 -37.651 62.540 -13.084 1.00 1.00 ATOM 42 CA VAL 42 -34.525 64.034 -11.523 1.00 1.00 ATOM 43 CA THR 43 -31.196 64.395 -13.319 1.00 1.00 ATOM 44 CA LEU 45 -27.940 66.300 -12.845 1.00 1.00 ATOM 45 CA GLY 46 -25.601 67.635 -15.540 1.00 1.00 ATOM 46 CA GLY 47 -22.631 69.560 -14.212 1.00 1.00 ATOM 47 CA GLY 48 -23.990 72.040 -11.698 1.00 1.00 ATOM 48 CA LYS 49 -27.472 72.043 -13.258 1.00 1.00 ATOM 49 CA TYR 50 -30.138 69.917 -11.629 1.00 1.00 ATOM 50 CA LYS 51 -33.353 69.189 -13.512 1.00 1.00 ATOM 51 CA MET 52 -36.640 68.169 -11.921 1.00 1.00 ATOM 52 CA ARG 53 -39.335 67.102 -14.356 1.00 1.00 ATOM 53 CA SER 54 -42.915 66.145 -13.486 1.00 1.00 ATOM 54 CA GLU 55 -44.897 64.205 -16.085 1.00 1.00 ATOM 55 CA SER 56 -48.638 63.601 -16.138 1.00 1.00 ATOM 56 CA THR 57 -51.176 62.969 -18.907 1.00 1.00 ATOM 57 CA PHE 58 -52.562 66.493 -18.644 1.00 1.00 ATOM 58 CA LYS 59 -49.435 68.556 -17.798 1.00 1.00 ATOM 59 CA THR 60 -45.646 68.215 -17.747 1.00 1.00 ATOM 60 CA THR 61 -43.419 70.642 -15.849 1.00 1.00 ATOM 61 CA GLU 62 -39.665 71.101 -15.827 1.00 1.00 ATOM 62 CA CYS 63 -37.194 73.241 -13.943 1.00 1.00 ATOM 63 CA SER 64 -33.411 73.335 -14.354 1.00 1.00 ATOM 64 CA PHE 65 -31.452 75.225 -11.737 1.00 1.00 ATOM 65 CA LYS 66 -28.183 75.686 -9.920 1.00 1.00 ATOM 66 CA LEU 67 -28.391 75.058 -6.187 1.00 1.00 ATOM 67 CA GLY 68 -28.359 78.415 -4.419 1.00 1.00 ATOM 68 CA GLU 69 -29.272 80.630 -7.391 1.00 1.00 ATOM 69 CA LYS 70 -32.749 82.196 -7.500 1.00 1.00 ATOM 70 CA PHE 71 -34.652 81.566 -10.730 1.00 1.00 ATOM 71 CA LYS 72 -38.022 82.097 -12.433 1.00 1.00 ATOM 72 CA GLU 73 -40.517 79.237 -12.391 1.00 1.00 ATOM 73 CA VAL 74 -43.996 78.852 -13.894 1.00 1.00 ATOM 74 CA THR 75 -45.861 76.367 -11.730 1.00 1.00 ATOM 75 CA PRO 76 -48.299 73.702 -12.932 1.00 1.00 ATOM 76 CA ASP 77 -51.189 75.828 -11.659 1.00 1.00 ATOM 77 CA SER 78 -49.771 78.775 -13.636 1.00 1.00 ATOM 78 CA ARG 79 -48.206 80.910 -10.930 1.00 1.00 ATOM 79 CA GLU 80 -45.110 82.921 -11.911 1.00 1.00 ATOM 80 CA VAL 81 -42.815 82.546 -8.918 1.00 1.00 ATOM 81 CA ALA 82 -39.251 83.194 -7.800 1.00 1.00 ATOM 82 CA SER 83 -37.670 79.932 -6.603 1.00 1.00 ATOM 83 CA LEU 84 -34.465 79.035 -4.774 1.00 1.00 ATOM 84 CA ILE 85 -33.348 75.467 -4.025 1.00 1.00 ATOM 85 CA THR 86 -30.532 74.558 -1.603 1.00 1.00 ATOM 86 CA VAL 87 -29.066 71.274 -0.368 1.00 1.00 ATOM 87 CA GLU 88 -29.493 71.054 3.408 1.00 1.00 ATOM 88 CA ASN 89 -29.154 68.006 5.644 1.00 1.00 ATOM 89 CA GLY 90 -29.276 65.767 2.598 1.00 1.00 ATOM 90 CA VAL 91 -32.564 67.257 1.403 1.00 1.00 ATOM 91 CA MET 92 -33.456 69.589 -1.448 1.00 1.00 ATOM 92 CA LYS 93 -35.211 72.567 0.128 1.00 1.00 ATOM 93 CA HIS 94 -37.193 74.759 -2.264 1.00 1.00 ATOM 94 CA GLU 95 -38.814 78.090 -1.417 1.00 1.00 ATOM 95 CA GLN 96 -41.221 79.694 -3.903 1.00 1.00 ATOM 96 CA ASP 97 -42.135 83.361 -3.518 1.00 1.00 ATOM 97 CA ASP 98 -44.908 85.277 -5.302 1.00 1.00 ATOM 98 CA LYS 99 -47.137 88.281 -4.517 1.00 1.00 ATOM 99 CA THR 100 -45.751 88.650 -0.999 1.00 1.00 ATOM 100 CA LYS 101 -46.448 84.974 -0.282 1.00 1.00 ATOM 101 CA VAL 102 -44.163 81.956 0.059 1.00 1.00 ATOM 102 CA THR 103 -44.378 78.184 0.348 1.00 1.00 ATOM 103 CA TYR 104 -41.708 75.580 1.072 1.00 1.00 ATOM 104 CA ILE 105 -41.294 72.275 -0.773 1.00 1.00 ATOM 105 CA GLU 106 -38.847 69.756 0.676 1.00 1.00 ATOM 106 CA ARG 107 -37.725 66.684 -1.239 1.00 1.00 ATOM 107 CA VAL 108 -35.931 64.102 0.839 1.00 1.00 ATOM 108 CA VAL 109 -35.024 60.452 0.921 1.00 1.00 ATOM 109 CA GLU 110 -36.669 58.161 3.463 1.00 1.00 ATOM 110 CA GLY 111 -35.514 54.582 3.195 1.00 1.00 ATOM 111 CA ASN 112 -35.931 53.594 -0.450 1.00 1.00 ATOM 112 CA GLU 113 -38.618 56.257 -0.983 1.00 1.00 ATOM 113 CA LEU 114 -38.505 59.911 -2.013 1.00 1.00 ATOM 114 CA LYS 115 -40.783 62.079 0.131 1.00 1.00 ATOM 115 CA ALA 116 -42.031 65.516 -0.935 1.00 1.00 ATOM 116 CA THR 117 -43.418 67.760 1.797 1.00 1.00 ATOM 117 CA VAL 118 -45.195 71.004 0.913 1.00 1.00 ATOM 118 CA LYS 119 -46.050 73.638 3.515 1.00 1.00 ATOM 119 CA VAL 120 -48.270 76.688 3.070 1.00 1.00 ATOM 120 CA ASP 121 -49.333 78.674 6.139 1.00 1.00 ATOM 121 CA GLU 122 -49.369 75.728 8.526 1.00 1.00 ATOM 122 CA VAL 123 -51.030 73.321 6.073 1.00 1.00 ATOM 123 CA VAL 124 -48.665 70.429 5.277 1.00 1.00 ATOM 124 CA CYS 125 -49.023 67.897 2.466 1.00 1.00 ATOM 125 CA VAL 126 -46.913 64.739 2.178 1.00 1.00 ATOM 126 CA ARG 127 -46.457 62.893 -1.119 1.00 1.00 ATOM 127 CA THR 128 -44.499 59.642 -1.227 1.00 1.00 ATOM 128 CA TYR 129 -42.718 58.387 -4.348 1.00 1.00 ATOM 129 CA SER 130 -41.024 55.070 -5.082 1.00 1.00 ATOM 130 CA LYS 131 -38.601 54.233 -7.896 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:23:18 2002 Date: Wed, 24 Jul 2002 17:23:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 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 16:55:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_678163_14079 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS007_3 Current information on models submitted in prediction T0137TS007 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_3 PIN_678163_14079 6269-7633-6117 07/24/02 16:55:48 casp5@bialko.llnl.gov T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_3 PIN_678163_14079 6269-7633-6117 07/24/02 16:55:48 casp5@bialko.llnl.gov T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1HMR # Loading PARENT structure: 1hmr (chain: ) # Number of residues in PARENT structure: 131 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1HMR ATOM 1 CA MET 1 21.220 39.664 35.035 1.00 1.00 ATOM 2 CA GLU 2 17.650 39.710 33.752 1.00 1.00 ATOM 3 CA ALA 3 16.840 36.037 34.411 1.00 1.00 ATOM 4 CA PHE 4 17.427 36.503 38.152 1.00 1.00 ATOM 5 CA LEU 5 14.836 39.311 38.452 1.00 1.00 ATOM 6 CA GLY 6 11.621 38.569 40.303 1.00 1.00 ATOM 7 CA THR 7 10.214 37.147 43.546 1.00 1.00 ATOM 8 CA TRP 8 11.559 33.809 44.805 1.00 1.00 ATOM 9 CA LYS 9 10.440 31.611 47.742 1.00 1.00 ATOM 10 CA MET 10 12.558 29.126 49.638 1.00 1.00 ATOM 11 CA GLU 11 11.568 25.518 49.037 1.00 1.00 ATOM 12 CA LYS 12 14.603 23.531 50.376 1.00 1.00 ATOM 13 CA SER 13 17.660 24.046 52.549 1.00 1.00 ATOM 14 CA GLU 14 20.716 21.886 53.343 1.00 1.00 ATOM 15 CA GLY 15 23.288 22.509 56.026 1.00 1.00 ATOM 16 CA PHE 16 22.181 26.082 56.958 1.00 1.00 ATOM 17 CA ASP 17 22.916 25.260 60.604 1.00 1.00 ATOM 18 CA LYS 18 26.535 24.393 59.878 1.00 1.00 ATOM 19 CA ILE 19 26.917 27.643 57.959 1.00 1.00 ATOM 20 CA MET 20 25.437 29.762 60.765 1.00 1.00 ATOM 21 CA GLU 21 27.548 27.934 63.368 1.00 1.00 ATOM 22 CA ARG 22 30.718 28.686 61.410 1.00 1.00 ATOM 23 CA LEU 23 29.868 32.425 61.455 1.00 1.00 ATOM 24 CA GLY 24 29.216 32.356 65.180 1.00 1.00 ATOM 25 CA VAL 25 25.476 32.744 65.188 1.00 1.00 ATOM 26 CA ASP 26 24.080 31.762 68.588 1.00 1.00 ATOM 27 CA PHE 27 21.845 28.777 69.230 1.00 1.00 ATOM 28 CA VAL 28 18.648 30.686 69.789 1.00 1.00 ATOM 29 CA THR 29 18.792 32.527 66.467 1.00 1.00 ATOM 30 CA ARG 30 19.776 29.327 64.690 1.00 1.00 ATOM 31 CA LYS 31 16.561 27.742 66.009 1.00 1.00 ATOM 32 CA MET 32 14.250 30.352 64.553 1.00 1.00 ATOM 33 CA GLY 33 16.250 30.577 61.338 1.00 1.00 ATOM 34 CA ASN 34 15.897 26.858 60.666 1.00 1.00 ATOM 35 CA LEU 35 12.126 27.266 60.568 1.00 1.00 ATOM 36 CA VAL 36 11.975 30.445 58.479 1.00 1.00 ATOM 37 CA LYS 37 11.183 30.427 54.748 1.00 1.00 ATOM 38 CA PRO 38 12.265 33.736 53.277 1.00 1.00 ATOM 39 CA ASN 39 11.071 35.532 50.171 1.00 1.00 ATOM 40 CA LEU 40 13.843 37.065 48.055 1.00 1.00 ATOM 41 CA ILE 41 13.034 39.920 45.671 1.00 1.00 ATOM 42 CA VAL 42 15.496 40.989 43.030 1.00 1.00 ATOM 43 CA THR 43 14.829 44.168 41.013 1.00 1.00 ATOM 44 CA LEU 45 16.846 46.462 38.725 1.00 1.00 ATOM 45 CA GLY 46 16.636 50.184 37.888 1.00 1.00 ATOM 46 CA GLY 47 19.289 50.958 35.299 1.00 1.00 ATOM 47 CA GLY 48 22.600 49.691 36.623 1.00 1.00 ATOM 48 CA LYS 49 21.411 49.570 40.262 1.00 1.00 ATOM 49 CA TYR 50 20.244 46.205 41.608 1.00 1.00 ATOM 50 CA LYS 51 18.198 45.902 44.850 1.00 1.00 ATOM 51 CA MET 52 17.984 42.615 46.691 1.00 1.00 ATOM 52 CA ARG 53 15.349 42.303 49.423 1.00 1.00 ATOM 53 CA SER 54 15.090 39.314 51.808 1.00 1.00 ATOM 54 CA GLU 55 11.800 39.204 53.741 1.00 1.00 ATOM 55 CA SER 56 10.688 36.827 56.495 1.00 1.00 ATOM 56 CA THR 57 8.793 36.771 59.762 1.00 1.00 ATOM 57 CA PHE 58 12.087 36.898 61.658 1.00 1.00 ATOM 58 CA LYS 59 14.287 39.557 60.067 1.00 1.00 ATOM 59 CA THR 60 14.306 41.568 56.821 1.00 1.00 ATOM 60 CA THR 61 17.228 42.903 54.814 1.00 1.00 ATOM 61 CA GLU 62 17.637 45.193 51.798 1.00 1.00 ATOM 62 CA CYS 63 20.787 46.161 49.881 1.00 1.00 ATOM 63 CA SER 64 21.247 48.194 46.708 1.00 1.00 ATOM 64 CA PHE 65 24.473 47.999 44.654 1.00 1.00 ATOM 65 CA LYS 66 26.067 48.291 41.251 1.00 1.00 ATOM 66 CA LEU 67 27.887 45.236 39.863 1.00 1.00 ATOM 67 CA GLY 68 31.610 45.429 40.358 1.00 1.00 ATOM 68 CA GLU 69 31.595 48.281 42.850 1.00 1.00 ATOM 69 CA LYS 70 32.421 47.683 46.552 1.00 1.00 ATOM 70 CA PHE 71 29.785 48.667 49.143 1.00 1.00 ATOM 71 CA LYS 72 29.320 48.582 52.909 1.00 1.00 ATOM 72 CA GLU 73 26.771 46.047 54.147 1.00 1.00 ATOM 73 CA VAL 74 25.355 45.136 57.522 1.00 1.00 ATOM 74 CA THR 75 24.268 41.514 57.441 1.00 1.00 ATOM 75 CA PRO 76 21.329 39.789 59.092 1.00 1.00 ATOM 76 CA ASP 77 23.605 38.524 61.858 1.00 1.00 ATOM 77 CA SER 78 25.004 42.004 62.450 1.00 1.00 ATOM 78 CA ARG 79 28.393 41.711 60.739 1.00 1.00 ATOM 79 CA GLU 80 29.683 44.927 59.106 1.00 1.00 ATOM 80 CA VAL 81 31.390 43.806 55.945 1.00 1.00 ATOM 81 CA ALA 82 32.823 45.039 52.643 1.00 1.00 ATOM 82 CA SER 83 30.904 43.545 49.767 1.00 1.00 ATOM 83 CA LEU 84 31.150 43.212 46.021 1.00 1.00 ATOM 84 CA ILE 85 28.741 41.507 43.607 1.00 1.00 ATOM 85 CA THR 86 29.724 40.388 40.133 1.00 1.00 ATOM 86 CA VAL 87 28.515 38.143 37.290 1.00 1.00 ATOM 87 CA GLU 88 30.830 35.190 36.720 1.00 1.00 ATOM 88 CA ASN 89 30.031 32.442 34.260 1.00 1.00 ATOM 89 CA GLY 90 26.422 33.453 34.432 1.00 1.00 ATOM 90 CA VAL 91 26.296 33.204 38.242 1.00 1.00 ATOM 91 CA MET 92 25.706 36.134 40.581 1.00 1.00 ATOM 92 CA LYS 93 28.636 36.087 42.987 1.00 1.00 ATOM 93 CA HIS 94 28.506 38.085 46.238 1.00 1.00 ATOM 94 CA GLU 95 31.781 38.215 48.243 1.00 1.00 ATOM 95 CA GLN 96 31.742 39.605 51.825 1.00 1.00 ATOM 96 CA ASP 97 34.975 40.462 53.655 1.00 1.00 ATOM 97 CA ASP 98 35.521 41.433 57.314 1.00 1.00 ATOM 98 CA LYS 99 38.263 40.954 59.859 1.00 1.00 ATOM 99 CA THR 100 40.432 39.114 57.429 1.00 1.00 ATOM 100 CA LYS 101 37.706 36.538 56.805 1.00 1.00 ATOM 101 CA VAL 102 35.479 36.036 53.761 1.00 1.00 ATOM 102 CA THR 103 32.230 34.312 52.817 1.00 1.00 ATOM 103 CA TYR 104 30.661 33.832 49.363 1.00 1.00 ATOM 104 CA ILE 105 26.962 33.740 48.426 1.00 1.00 ATOM 105 CA GLU 106 26.647 32.379 44.864 1.00 1.00 ATOM 106 CA ARG 107 23.348 32.296 42.971 1.00 1.00 ATOM 107 CA VAL 108 22.840 30.260 39.804 1.00 1.00 ATOM 108 CA VAL 109 19.778 29.365 37.747 1.00 1.00 ATOM 109 CA GLU 110 19.326 25.648 37.137 1.00 1.00 ATOM 110 CA GLY 111 16.211 24.247 35.483 1.00 1.00 ATOM 111 CA ASN 112 14.347 27.426 36.285 1.00 1.00 ATOM 112 CA GLU 113 15.147 27.313 40.000 1.00 1.00 ATOM 113 CA LEU 114 17.530 29.676 41.803 1.00 1.00 ATOM 114 CA LYS 115 20.229 27.834 43.762 1.00 1.00 ATOM 115 CA ALA 116 21.990 29.794 46.520 1.00 1.00 ATOM 116 CA THR 117 25.284 28.324 47.764 1.00 1.00 ATOM 117 CA VAL 118 26.825 29.824 50.933 1.00 1.00 ATOM 118 CA LYS 119 30.416 28.950 51.909 1.00 1.00 ATOM 119 CA VAL 120 32.415 29.927 54.985 1.00 1.00 ATOM 120 CA ASP 121 35.394 27.941 56.171 1.00 1.00 ATOM 121 CA GLU 122 34.568 24.306 55.546 1.00 1.00 ATOM 122 CA VAL 123 30.806 24.763 55.773 1.00 1.00 ATOM 123 CA VAL 124 28.750 24.678 52.596 1.00 1.00 ATOM 124 CA CYS 125 24.998 25.320 52.551 1.00 1.00 ATOM 125 CA VAL 126 22.674 24.947 49.555 1.00 1.00 ATOM 126 CA ARG 127 19.303 26.695 49.463 1.00 1.00 ATOM 127 CA THR 128 16.759 26.292 46.674 1.00 1.00 ATOM 128 CA TYR 129 14.280 28.984 45.663 1.00 1.00 ATOM 129 CA SER 130 11.297 28.715 43.236 1.00 1.00 ATOM 130 CA LYS 131 9.906 31.687 41.315 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:23:39 2002 Date: Wed, 24 Jul 2002 17:23:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 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 16:56:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_685065_14081 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS007_4 Current information on models submitted in prediction T0137TS007 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_4 PIN_685065_14081 6269-7633-6117 07/24/02 16:56:17 casp5@bialko.llnl.gov T0137TS007_3 PIN_678163_14079 6269-7633-6117 07/24/02 16:55:48 casp5@bialko.llnl.gov T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS007_1 PIN_657958_14072 6269-7633-6117 07/24/02 16:53:46 casp5@bialko.llnl.gov T0137TS007_2 PIN_675363_14077 6269-7633-6117 07/24/02 16:55:20 casp5@bialko.llnl.gov T0137TS007_3 PIN_678163_14079 6269-7633-6117 07/24/02 16:55:48 casp5@bialko.llnl.gov T0137TS007_4 PIN_685065_14081 6269-7633-6117 07/24/02 16:56:17 casp5@bialko.llnl.gov T0137TS007_5 PIN_676762_14078 6269-7633-6117 07/24/02 16:55:34 casp5@bialko.llnl.gov T0137SS007_1 PIN_230862_10852 6269-7633-6117 06/24/02 08:11:58 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 T0137 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 2HMB # Loading PARENT structure: 2hmb (chain: ) # Number of residues in PARENT structure: 131 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 2HMB ATOM 1 CA MET 1 22.043 40.385 35.820 1.00 1.00 ATOM 2 CA GLU 2 18.438 40.499 34.522 1.00 1.00 ATOM 3 CA ALA 3 17.476 36.889 35.226 1.00 1.00 ATOM 4 CA PHE 4 18.173 37.393 38.939 1.00 1.00 ATOM 5 CA LEU 5 15.399 40.084 39.273 1.00 1.00 ATOM 6 CA GLY 6 12.071 39.459 41.200 1.00 1.00 ATOM 7 CA THR 7 10.498 37.799 44.343 1.00 1.00 ATOM 8 CA TRP 8 11.835 34.406 45.613 1.00 1.00 ATOM 9 CA LYS 9 10.868 32.258 48.669 1.00 1.00 ATOM 10 CA MET 10 13.029 29.661 50.637 1.00 1.00 ATOM 11 CA GLU 11 12.217 25.998 49.830 1.00 1.00 ATOM 12 CA LYS 12 15.198 23.948 51.234 1.00 1.00 ATOM 13 CA SER 13 18.208 24.534 53.637 1.00 1.00 ATOM 14 CA GLU 14 21.348 22.460 54.368 1.00 1.00 ATOM 15 CA GLY 15 24.046 23.031 57.032 1.00 1.00 ATOM 16 CA PHE 16 22.946 26.588 58.157 1.00 1.00 ATOM 17 CA ASP 17 23.706 25.684 61.731 1.00 1.00 ATOM 18 CA LYS 18 27.379 24.963 61.046 1.00 1.00 ATOM 19 CA ILE 19 27.781 28.224 59.169 1.00 1.00 ATOM 20 CA MET 20 26.221 30.316 61.892 1.00 1.00 ATOM 21 CA GLU 21 28.394 28.512 64.370 1.00 1.00 ATOM 22 CA ARG 22 31.597 29.161 62.520 1.00 1.00 ATOM 23 CA LEU 23 30.799 32.935 62.453 1.00 1.00 ATOM 24 CA GLY 24 30.156 33.067 66.217 1.00 1.00 ATOM 25 CA VAL 25 26.353 33.434 66.429 1.00 1.00 ATOM 26 CA ASP 26 24.767 32.304 69.744 1.00 1.00 ATOM 27 CA PHE 27 22.603 29.234 70.354 1.00 1.00 ATOM 28 CA VAL 28 19.504 31.261 71.079 1.00 1.00 ATOM 29 CA THR 29 19.693 33.062 67.740 1.00 1.00 ATOM 30 CA ARG 30 20.454 29.773 65.986 1.00 1.00 ATOM 31 CA LYS 31 17.215 28.253 67.309 1.00 1.00 ATOM 32 CA MET 32 15.152 31.083 65.902 1.00 1.00 ATOM 33 CA GLY 33 16.870 31.410 62.462 1.00 1.00 ATOM 34 CA ASN 34 16.373 27.663 61.772 1.00 1.00 ATOM 35 CA LEU 35 12.577 27.627 61.774 1.00 1.00 ATOM 36 CA VAL 36 12.411 30.836 59.636 1.00 1.00 ATOM 37 CA LYS 37 11.776 30.891 55.818 1.00 1.00 ATOM 38 CA PRO 38 12.664 34.320 54.362 1.00 1.00 ATOM 39 CA ASN 39 11.622 36.352 51.300 1.00 1.00 ATOM 40 CA LEU 40 14.283 37.813 49.031 1.00 1.00 ATOM 41 CA ILE 41 13.548 40.701 46.538 1.00 1.00 ATOM 42 CA VAL 42 16.077 41.783 43.845 1.00 1.00 ATOM 43 CA THR 43 15.460 45.049 41.979 1.00 1.00 ATOM 44 CA LEU 45 17.233 47.365 39.555 1.00 1.00 ATOM 45 CA GLY 46 17.305 51.117 38.613 1.00 1.00 ATOM 46 CA GLY 47 19.946 52.114 36.147 1.00 1.00 ATOM 47 CA GLY 48 23.257 50.784 37.386 1.00 1.00 ATOM 48 CA LYS 49 22.144 50.481 41.011 1.00 1.00 ATOM 49 CA TYR 50 21.047 47.080 42.380 1.00 1.00 ATOM 50 CA LYS 51 18.867 46.794 45.534 1.00 1.00 ATOM 51 CA MET 52 18.728 43.632 47.753 1.00 1.00 ATOM 52 CA ARG 53 15.898 43.111 50.330 1.00 1.00 ATOM 53 CA SER 54 15.686 40.029 52.790 1.00 1.00 ATOM 54 CA GLU 55 12.391 39.875 54.717 1.00 1.00 ATOM 55 CA SER 56 11.337 37.617 57.594 1.00 1.00 ATOM 56 CA THR 57 9.293 37.416 60.814 1.00 1.00 ATOM 57 CA PHE 58 12.563 37.613 62.670 1.00 1.00 ATOM 58 CA LYS 59 15.061 40.049 61.013 1.00 1.00 ATOM 59 CA THR 60 15.007 42.422 58.036 1.00 1.00 ATOM 60 CA THR 61 17.882 43.754 55.899 1.00 1.00 ATOM 61 CA GLU 62 18.375 46.051 52.860 1.00 1.00 ATOM 62 CA CYS 63 21.441 47.128 50.786 1.00 1.00 ATOM 63 CA SER 64 21.971 49.120 47.584 1.00 1.00 ATOM 64 CA PHE 65 25.239 49.030 45.478 1.00 1.00 ATOM 65 CA LYS 66 27.064 49.193 42.094 1.00 1.00 ATOM 66 CA LEU 67 28.831 46.054 40.791 1.00 1.00 ATOM 67 CA GLY 68 32.705 46.201 41.238 1.00 1.00 ATOM 68 CA GLU 69 32.633 49.162 43.756 1.00 1.00 ATOM 69 CA LYS 70 33.509 48.541 47.477 1.00 1.00 ATOM 70 CA PHE 71 30.885 49.562 50.045 1.00 1.00 ATOM 71 CA LYS 72 30.358 49.497 53.863 1.00 1.00 ATOM 72 CA GLU 73 27.828 46.939 55.223 1.00 1.00 ATOM 73 CA VAL 74 26.494 45.861 58.653 1.00 1.00 ATOM 74 CA THR 75 25.112 42.302 58.586 1.00 1.00 ATOM 75 CA PRO 76 22.080 40.515 60.182 1.00 1.00 ATOM 76 CA ASP 77 24.337 39.150 62.876 1.00 1.00 ATOM 77 CA SER 78 25.691 42.656 63.441 1.00 1.00 ATOM 78 CA ARG 79 29.138 42.478 61.883 1.00 1.00 ATOM 79 CA GLU 80 30.548 45.652 60.309 1.00 1.00 ATOM 80 CA VAL 81 32.362 44.672 57.013 1.00 1.00 ATOM 81 CA ALA 82 33.944 45.950 53.768 1.00 1.00 ATOM 82 CA SER 83 32.004 44.484 50.812 1.00 1.00 ATOM 83 CA LEU 84 32.138 44.060 46.985 1.00 1.00 ATOM 84 CA ILE 85 29.742 42.268 44.554 1.00 1.00 ATOM 85 CA THR 86 30.803 40.992 41.042 1.00 1.00 ATOM 86 CA VAL 87 29.642 38.904 37.944 1.00 1.00 ATOM 87 CA GLU 88 31.954 35.902 37.437 1.00 1.00 ATOM 88 CA ASN 89 31.151 33.239 34.914 1.00 1.00 ATOM 89 CA GLY 90 27.429 33.971 35.149 1.00 1.00 ATOM 90 CA VAL 91 27.396 33.973 38.908 1.00 1.00 ATOM 91 CA MET 92 26.801 36.714 41.425 1.00 1.00 ATOM 92 CA LYS 93 29.770 36.713 43.807 1.00 1.00 ATOM 93 CA HIS 94 29.529 38.727 47.143 1.00 1.00 ATOM 94 CA GLU 95 32.879 39.066 49.111 1.00 1.00 ATOM 95 CA GLN 96 32.917 40.377 52.695 1.00 1.00 ATOM 96 CA ASP 97 36.159 41.222 54.619 1.00 1.00 ATOM 97 CA ASP 98 36.744 41.953 58.325 1.00 1.00 ATOM 98 CA LYS 99 39.481 41.599 60.906 1.00 1.00 ATOM 99 CA THR 100 41.657 39.927 58.414 1.00 1.00 ATOM 100 CA LYS 101 39.114 37.264 57.633 1.00 1.00 ATOM 101 CA VAL 102 36.678 36.472 54.844 1.00 1.00 ATOM 102 CA THR 103 33.305 34.929 53.877 1.00 1.00 ATOM 103 CA TYR 104 31.770 34.387 50.470 1.00 1.00 ATOM 104 CA ILE 105 28.103 34.351 49.369 1.00 1.00 ATOM 105 CA GLU 106 27.487 32.947 45.833 1.00 1.00 ATOM 106 CA ARG 107 24.162 33.021 43.854 1.00 1.00 ATOM 107 CA VAL 108 23.542 30.679 40.777 1.00 1.00 ATOM 108 CA VAL 109 20.576 30.063 38.500 1.00 1.00 ATOM 109 CA GLU 110 20.145 26.363 38.026 1.00 1.00 ATOM 110 CA GLY 111 17.166 24.899 36.369 1.00 1.00 ATOM 111 CA ASN 112 14.631 27.483 37.261 1.00 1.00 ATOM 112 CA GLU 113 16.077 27.962 40.620 1.00 1.00 ATOM 113 CA LEU 114 18.203 30.262 42.735 1.00 1.00 ATOM 114 CA LYS 115 21.002 28.583 44.631 1.00 1.00 ATOM 115 CA ALA 116 22.918 30.261 47.470 1.00 1.00 ATOM 116 CA THR 117 26.138 28.872 48.913 1.00 1.00 ATOM 117 CA VAL 118 27.842 30.338 51.983 1.00 1.00 ATOM 118 CA LYS 119 31.490 29.500 52.730 1.00 1.00 ATOM 119 CA VAL 120 33.440 30.297 55.989 1.00 1.00 ATOM 120 CA ASP 121 36.576 28.399 56.978 1.00 1.00 ATOM 121 CA GLU 122 35.791 24.761 56.649 1.00 1.00 ATOM 122 CA VAL 123 31.964 25.188 56.811 1.00 1.00 ATOM 123 CA VAL 124 29.766 25.316 53.637 1.00 1.00 ATOM 124 CA CYS 125 25.940 25.819 53.568 1.00 1.00 ATOM 125 CA VAL 126 23.526 25.476 50.623 1.00 1.00 ATOM 126 CA ARG 127 20.092 27.162 50.358 1.00 1.00 ATOM 127 CA THR 128 17.480 27.001 47.563 1.00 1.00 ATOM 128 CA TYR 129 14.776 29.526 46.546 1.00 1.00 ATOM 129 CA SER 130 11.677 29.279 44.351 1.00 1.00 ATOM 130 CA LYS 131 10.426 32.137 42.168 1.00 1.00 TER END ################################ # # # END # # # ################################