From mailer@bialko.llnl.gov Thu Aug 15 07:29:29 2002 Date: Thu, 15 Aug 2002 07:29:23 -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 Thu Aug 15 07:01:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_146831_24629 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187SS007_1 Current information on models submitted in prediction T0187SS007 MODEL_INDEX PIN CODE DATE E-mail T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 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: 417 # Number of residues with nonzero confidence: 417 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0187 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-30036.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-24665//target-align-24665.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 12.559 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-30036.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc66.31417/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Aug 14 20:09:16 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-24665//target-align-24665.a2m METHOD METHOD guide seq name: seed-seqs-30036.a2m(1), 417 bases, 8ABDFAE8 checksum. METHOD ###end 0 MODEL 1 M C 0.621 F C 0.576 D C 0.552 P H 0.536 E H 0.594 S H 0.614 L H 0.708 K H 0.797 K H 0.815 L H 0.812 A H 0.795 I H 0.795 E H 0.804 I H 0.798 V H 0.786 K H 0.788 K H 0.779 S H 0.75 I H 0.729 E H 0.68 A H 0.598 V C 0.539 F C 0.698 P H 0.583 D H 0.641 R H 0.647 A H 0.627 V H 0.622 K H 0.596 E H 0.56 T H 0.498 L C 0.476 P C 0.565 K C 0.575 L C 0.591 N C 0.614 L C 0.621 D C 0.633 R C 0.457 V E 0.584 I E 0.684 L E 0.707 V E 0.66 A E 0.495 V C 0.459 G C 0.506 K H 0.529 A H 0.591 A H 0.657 W H 0.723 R H 0.74 M H 0.755 A H 0.796 K H 0.805 A H 0.796 A H 0.79 Y H 0.792 E H 0.779 V H 0.746 L H 0.66 G H 0.477 K H 0.48 K C 0.507 I C 0.476 R C 0.481 K C 0.499 G C 0.455 V E 0.53 V E 0.652 V E 0.655 T E 0.531 K C 0.453 Y C 0.582 G C 0.626 H C 0.592 S C 0.572 E C 0.549 G C 0.584 P C 0.588 I C 0.601 D C 0.616 D C 0.513 F E 0.484 E E 0.575 I E 0.613 Y E 0.581 E E 0.487 A C 0.475 G C 0.66 H C 0.725 P C 0.716 V C 0.733 P C 0.714 D C 0.684 E H 0.589 N H 0.617 T H 0.638 I H 0.699 K H 0.717 T H 0.727 T H 0.75 R H 0.774 R H 0.769 V H 0.773 L H 0.775 E H 0.763 L H 0.741 V H 0.692 D H 0.581 Q C 0.472 L C 0.575 N C 0.67 E C 0.596 N C 0.639 D C 0.593 T E 0.508 V E 0.663 L E 0.709 F E 0.713 L E 0.701 L E 0.634 S C 0.435 G C 0.675 G C 0.724 G C 0.582 S C 0.47 S C 0.357 L E 0.366 F E 0.395 E C 0.445 L C 0.594 P C 0.674 L C 0.61 E C 0.609 G C 0.633 V C 0.597 S C 0.623 L H 0.684 E H 0.721 E H 0.75 I H 0.787 Q H 0.788 K H 0.78 L H 0.775 T H 0.78 S H 0.809 A H 0.8 L H 0.79 L H 0.769 K H 0.742 S H 0.63 G C 0.67 A C 0.702 S C 0.63 I H 0.62 E H 0.675 E H 0.703 I H 0.72 N H 0.698 T H 0.706 V H 0.72 R H 0.727 K H 0.725 H H 0.71 L H 0.69 S H 0.613 Q H 0.574 V C 0.444 K H 0.441 G H 0.473 G H 0.497 R H 0.571 F H 0.615 A H 0.632 E H 0.645 R H 0.629 V H 0.594 F H 0.536 P C 0.529 A C 0.575 K C 0.479 V E 0.583 V E 0.638 A E 0.651 L E 0.682 V E 0.685 L E 0.614 S E 0.449 D C 0.537 V C 0.587 L C 0.623 G C 0.721 D C 0.762 R C 0.704 L C 0.495 D E 0.365 V E 0.483 I E 0.52 A E 0.426 S C 0.56 G C 0.763 P C 0.734 A C 0.61 W C 0.59 P C 0.642 D C 0.697 S C 0.552 S C 0.553 T C 0.528 S H 0.589 E H 0.638 D H 0.672 A H 0.752 L H 0.766 K H 0.77 V H 0.765 L H 0.767 E H 0.755 K H 0.747 Y H 0.663 G C 0.469 I C 0.507 E C 0.5 T C 0.589 S C 0.561 E H 0.63 S H 0.64 V H 0.708 K H 0.714 R H 0.714 A H 0.7 I H 0.663 L H 0.567 Q C 0.466 E C 0.537 T C 0.635 P C 0.602 K C 0.585 H C 0.576 L C 0.588 S C 0.583 N C 0.491 V C 0.344 E E 0.461 I E 0.512 H E 0.562 L E 0.591 I E 0.564 G E 0.462 N C 0.47 V H 0.596 Q H 0.709 K H 0.74 V H 0.749 C H 0.775 D H 0.791 E H 0.801 A H 0.802 K H 0.805 S H 0.795 L H 0.783 A H 0.766 K H 0.736 E H 0.723 K H 0.606 G C 0.661 F C 0.653 N C 0.547 A E 0.555 E E 0.626 I E 0.636 I E 0.59 T E 0.394 T C 0.486 S C 0.459 L C 0.426 D C 0.475 C C 0.483 E C 0.501 A H 0.702 R H 0.722 E H 0.732 A H 0.733 G H 0.719 R H 0.726 F H 0.721 I H 0.727 A H 0.727 S H 0.723 I H 0.718 M H 0.718 K H 0.719 E H 0.715 V H 0.691 K H 0.659 F H 0.604 K C 0.441 D C 0.561 R C 0.585 P C 0.595 L C 0.63 K C 0.672 K C 0.705 P C 0.593 A E 0.581 A E 0.655 L E 0.688 I E 0.656 F E 0.531 G C 0.619 G C 0.714 E C 0.578 T E 0.443 V E 0.609 V E 0.666 H E 0.653 V E 0.594 K C 0.472 G C 0.635 N C 0.689 G C 0.697 I C 0.646 G C 0.684 G C 0.72 R C 0.656 N C 0.568 Q H 0.533 E H 0.594 L H 0.647 A H 0.666 L H 0.687 S H 0.688 A H 0.681 A H 0.679 I H 0.664 A H 0.635 L H 0.561 E C 0.453 G C 0.591 I C 0.578 E C 0.58 G C 0.525 V E 0.482 I E 0.596 L E 0.631 C E 0.621 S E 0.549 A E 0.447 G C 0.674 T C 0.718 D C 0.729 G C 0.762 T C 0.71 D C 0.715 G C 0.708 P C 0.657 T C 0.58 D C 0.529 A C 0.487 A C 0.469 G C 0.517 G C 0.412 I E 0.46 V C 0.404 D C 0.583 G C 0.452 S H 0.487 T H 0.554 A H 0.628 K H 0.643 T H 0.669 L H 0.667 K H 0.638 A H 0.621 M H 0.503 G C 0.591 E C 0.554 D C 0.539 P H 0.667 Y H 0.697 Q H 0.7 Y H 0.673 L H 0.641 K H 0.56 N H 0.481 N C 0.565 D C 0.522 S H 0.574 Y H 0.64 N H 0.645 A H 0.656 L H 0.664 K H 0.654 K H 0.646 S H 0.565 G C 0.594 A C 0.579 L E 0.427 L E 0.526 I E 0.478 T C 0.514 G C 0.676 P C 0.678 T C 0.655 G C 0.635 T C 0.585 N C 0.554 V C 0.416 N C 0.444 D C 0.384 L E 0.526 I E 0.607 I E 0.643 G E 0.649 L E 0.64 I E 0.603 V C 0.747 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 13:23:20 2002 Date: Wed, 21 Aug 2002 13:23:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0187 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 12:55:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_688751_30179 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187TS007_1 Current information on models submitted in prediction T0187TS007 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 casp5@bialko.llnl.gov T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1FXK_C # Loading PARENT structure: 1fxk (chain: C) # Number of residues in PARENT structure: 133 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue T 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue S 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue R 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue F 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue L 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue S 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue L 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue V 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue S 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue P 202 # IMPORTANT NOTE! Not complete main chain atoms for residue A 203 # IMPORTANT NOTE! Not complete main chain atoms for residue W 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue K 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 220 # IMPORTANT NOTE! Not complete main chain atoms for residue G 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue E 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue K 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0187 # Total number of residues in target: 417 # Total number of residues in model: 97 # Total number of atoms in model: 97 # Number of atoms with 1.0 occupancy: 97 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 97 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0187 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1FXK_C ATOM 15 CA GLY 135 61.037 -37.561 -5.049 1.00 1.00 ATOM 16 CA VAL 136 57.988 -38.810 -6.935 1.00 1.00 ATOM 17 CA SER 137 58.266 -35.352 -8.507 1.00 1.00 ATOM 18 CA LEU 138 62.041 -35.462 -8.972 1.00 1.00 ATOM 19 CA GLU 139 61.480 -38.903 -10.509 1.00 1.00 ATOM 20 CA GLU 140 58.925 -37.414 -12.882 1.00 1.00 ATOM 21 CA ILE 141 60.852 -34.279 -13.811 1.00 1.00 ATOM 22 CA GLN 142 63.789 -36.310 -15.079 1.00 1.00 ATOM 23 CA LYS 143 61.443 -38.647 -16.983 1.00 1.00 ATOM 24 CA LEU 144 59.877 -35.778 -18.913 1.00 1.00 ATOM 25 CA THR 145 63.318 -34.273 -19.545 1.00 1.00 ATOM 26 CA SER 146 64.177 -37.622 -21.132 1.00 1.00 ATOM 27 CA ALA 147 61.036 -37.872 -23.276 1.00 1.00 ATOM 28 CA LEU 148 61.649 -34.306 -24.479 1.00 1.00 ATOM 29 CA LEU 149 65.100 -35.354 -25.699 1.00 1.00 ATOM 30 CA LYS 150 63.722 -38.274 -27.676 1.00 1.00 ATOM 31 CA SER 151 61.357 -35.833 -29.329 1.00 1.00 ATOM 32 CA GLY 152 64.222 -33.419 -30.081 1.00 1.00 ATOM 33 CA ALA 153 66.148 -36.390 -31.448 1.00 1.00 ATOM 34 CA SER 154 63.309 -37.241 -33.829 1.00 1.00 ATOM 35 CA ILE 155 63.061 -33.617 -34.960 1.00 1.00 ATOM 36 CA GLU 156 66.791 -33.606 -35.694 1.00 1.00 ATOM 37 CA GLU 157 66.524 -36.697 -37.870 1.00 1.00 ATOM 38 CA ILE 158 63.617 -35.123 -39.780 1.00 1.00 ATOM 39 CA ASN 159 65.746 -31.992 -40.341 1.00 1.00 ATOM 40 CA THR 160 68.624 -34.051 -41.766 1.00 1.00 ATOM 41 CA VAL 161 66.076 -35.880 -43.957 1.00 1.00 ATOM 42 CA ARG 162 64.842 -32.529 -45.292 1.00 1.00 ATOM 43 CA LYS 163 68.379 -31.496 -46.159 1.00 1.00 ATOM 44 CA HIS 164 69.124 -34.700 -48.078 1.00 1.00 ATOM 45 CA LEU 165 65.936 -34.523 -50.177 1.00 1.00 ATOM 46 CA SER 166 66.603 -30.828 -50.923 1.00 1.00 ATOM 47 CA GLN 167 70.262 -31.605 -51.741 1.00 1.00 ATOM 48 CA VAL 168 69.368 -34.221 -54.353 1.00 1.00 ATOM 49 CA LYS 169 66.746 -32.272 -56.349 1.00 1.00 ATOM 50 CA GLY 170 67.880 -31.985 -59.951 1.00 1.00 ATOM 51 CA GLY 171 70.642 -34.580 -59.479 1.00 1.00 ATOM 52 CA ARG 172 69.413 -37.571 -61.495 1.00 1.00 ATOM 53 CA PHE 173 72.573 -39.249 -62.726 1.00 1.00 ATOM 54 CA ALA 174 74.868 -37.729 -60.117 1.00 1.00 ATOM 55 CA GLU 175 77.143 -40.140 -58.300 1.00 1.00 ATOM 56 CA ARG 176 76.710 -40.669 -54.577 1.00 1.00 ATOM 57 CA VAL 177 78.636 -42.648 -51.962 1.00 1.00 ATOM 58 CA PHE 178 76.646 -44.721 -49.524 1.00 1.00 ATOM 59 CA PRO 179 78.132 -45.507 -46.103 1.00 1.00 ATOM 60 CA ALA 180 77.862 -49.266 -45.600 1.00 1.00 ATOM 61 CA LYS 181 79.614 -49.604 -42.271 1.00 1.00 ATOM 62 CA VAL 182 82.893 -49.161 -40.432 1.00 1.00 ATOM 63 CA VAL 183 84.022 -46.217 -42.559 1.00 1.00 ATOM 64 CA ALA 184 83.355 -47.932 -45.890 1.00 1.00 ATOM 65 CA LEU 185 81.372 -46.503 -48.834 1.00 1.00 ATOM 66 CA VAL 186 80.079 -47.878 -52.126 1.00 1.00 ATOM 67 CA LEU 187 79.166 -46.109 -55.375 1.00 1.00 ATOM 68 CA SER 188 75.753 -45.538 -56.886 1.00 1.00 ATOM 69 CA ASP 189 74.062 -43.108 -59.272 1.00 1.00 ATOM 70 CA VAL 190 71.007 -41.190 -58.005 1.00 1.00 ATOM 71 CA LEU 191 67.746 -42.070 -59.765 1.00 1.00 ATOM 72 CA GLY 192 64.314 -40.359 -59.887 1.00 1.00 ATOM 73 CA ASP 193 65.511 -37.855 -57.297 1.00 1.00 ATOM 74 CA ARG 194 62.179 -36.030 -57.229 1.00 1.00 ATOM 75 CA LEU 195 60.664 -39.141 -55.650 1.00 1.00 ATOM 76 CA ASP 196 61.020 -40.637 -52.184 1.00 1.00 ATOM 77 CA VAL 197 59.485 -43.790 -50.689 1.00 1.00 ATOM 78 CA ILE 198 58.060 -42.891 -47.296 1.00 1.00 ATOM 79 CA ALA 199 56.881 -45.109 -44.462 1.00 1.00 ATOM 80 CA SER 200 53.295 -44.371 -43.264 1.00 1.00 ATOM 81 CA GLY 201 52.895 -47.027 -40.570 1.00 1.00 ATOM 82 CA PRO 202 51.494 -50.557 -40.326 1.00 1.00 ATOM 83 CA ALA 203 54.057 -52.005 -42.744 1.00 1.00 ATOM 84 CA TRP 204 53.136 -49.640 -45.569 1.00 1.00 ATOM 85 CA PRO 205 55.285 -47.245 -47.572 1.00 1.00 ATOM 86 CA ASP 206 54.182 -44.809 -50.272 1.00 1.00 ATOM 87 CA SER 207 56.250 -43.185 -53.040 1.00 1.00 ATOM 88 CA SER 208 55.773 -39.382 -52.928 1.00 1.00 ATOM 89 CA THR 209 57.129 -36.452 -54.918 1.00 1.00 ATOM 90 CA SER 210 59.388 -33.796 -53.449 1.00 1.00 ATOM 91 CA GLU 211 56.738 -31.243 -52.494 1.00 1.00 ATOM 92 CA ASP 212 54.438 -33.776 -50.890 1.00 1.00 ATOM 93 CA ALA 213 57.336 -35.328 -48.982 1.00 1.00 ATOM 94 CA LEU 214 58.610 -31.984 -47.642 1.00 1.00 ATOM 95 CA LYS 215 55.031 -31.114 -46.728 1.00 1.00 ATOM 96 CA VAL 216 54.633 -34.302 -44.617 1.00 1.00 ATOM 97 CA LEU 217 57.956 -33.690 -42.948 1.00 1.00 ATOM 98 CA GLU 218 57.073 -30.142 -41.943 1.00 1.00 ATOM 99 CA LYS 219 53.691 -31.375 -40.618 1.00 1.00 ATOM 100 CA TYR 220 55.419 -33.979 -38.472 1.00 1.00 ATOM 101 CA GLY 221 57.999 -31.479 -37.215 1.00 1.00 ATOM 102 CA ILE 222 55.212 -29.069 -36.330 1.00 1.00 ATOM 103 CA GLU 223 53.335 -31.821 -34.528 1.00 1.00 ATOM 104 CA THR 224 56.454 -32.830 -32.594 1.00 1.00 ATOM 105 CA SER 225 57.232 -29.171 -31.854 1.00 1.00 ATOM 106 CA GLU 226 53.674 -28.757 -30.565 1.00 1.00 ATOM 107 CA SER 227 54.186 -31.893 -28.467 1.00 1.00 ATOM 108 CA VAL 228 57.387 -30.330 -27.152 1.00 1.00 ATOM 109 CA LYS 229 55.500 -27.123 -26.253 1.00 1.00 ATOM 110 CA ARG 230 53.016 -29.191 -24.242 1.00 1.00 ATOM 111 CA ALA 231 55.680 -31.301 -22.470 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 13:19:07 2002 Date: Wed, 21 Aug 2002 13:19:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0187 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 12:50:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_645149_30166 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187TS007_2 Current information on models submitted in prediction T0187TS007 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 casp5@bialko.llnl.gov T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1DUS_A # Loading PARENT structure: 1dus (chain: A) # Number of residues in PARENT structure: 192 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 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 T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue L 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue T 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue S 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue R 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue F 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue L 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue S 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue L 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue V 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue S 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 203 # IMPORTANT NOTE! Not complete main chain atoms for residue W 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue K 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 234 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0187 # Total number of residues in target: 417 # 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 T0187 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1DUS_A ATOM 38 CA GLU 95 29.634 6.218 9.245 1.00 1.00 ATOM 39 CA ASN 96 27.285 6.278 12.248 1.00 1.00 ATOM 40 CA THR 97 24.758 8.430 14.008 1.00 1.00 ATOM 41 CA ILE 98 26.542 10.181 16.856 1.00 1.00 ATOM 42 CA LYS 99 25.543 8.989 20.356 1.00 1.00 ATOM 43 CA THR 100 25.113 12.552 21.592 1.00 1.00 ATOM 44 CA THR 101 22.986 13.446 18.622 1.00 1.00 ATOM 45 CA ARG 102 20.826 10.344 19.178 1.00 1.00 ATOM 46 CA ARG 103 20.244 11.178 22.841 1.00 1.00 ATOM 47 CA VAL 104 19.350 14.767 21.945 1.00 1.00 ATOM 48 CA LEU 105 16.931 13.720 19.193 1.00 1.00 ATOM 49 CA GLU 106 15.197 11.155 21.399 1.00 1.00 ATOM 50 CA LEU 107 14.712 13.631 24.235 1.00 1.00 ATOM 51 CA VAL 108 13.784 16.882 22.557 1.00 1.00 ATOM 52 CA GLN 110 10.127 17.859 22.938 1.00 1.00 ATOM 53 CA LEU 111 8.524 19.640 20.002 1.00 1.00 ATOM 54 CA ASN 112 5.092 21.037 19.151 1.00 1.00 ATOM 55 CA GLU 113 3.282 20.712 15.803 1.00 1.00 ATOM 56 CA ASN 114 3.367 24.504 15.341 1.00 1.00 ATOM 57 CA ASP 115 7.086 24.927 16.014 1.00 1.00 ATOM 58 CA THR 116 9.467 26.584 13.573 1.00 1.00 ATOM 59 CA VAL 117 12.802 24.989 14.409 1.00 1.00 ATOM 60 CA LEU 118 16.461 25.548 13.672 1.00 1.00 ATOM 61 CA PHE 119 18.994 22.678 13.627 1.00 1.00 ATOM 62 CA LEU 120 22.254 24.556 14.072 1.00 1.00 ATOM 63 CA LEU 121 25.417 22.889 12.781 1.00 1.00 ATOM 64 CA SER 122 23.306 20.284 11.045 1.00 1.00 ATOM 65 CA GLY 123 26.023 18.131 9.527 1.00 1.00 ATOM 66 CA GLY 124 24.295 15.628 7.247 1.00 1.00 ATOM 67 CA GLY 125 20.919 16.435 8.734 1.00 1.00 ATOM 68 CA SER 126 20.046 13.996 11.493 1.00 1.00 ATOM 69 CA SER 127 18.262 16.365 13.882 1.00 1.00 ATOM 70 CA LEU 128 16.238 18.247 11.288 1.00 1.00 ATOM 71 CA PHE 129 15.270 15.100 9.404 1.00 1.00 ATOM 72 CA GLU 130 14.296 13.188 12.562 1.00 1.00 ATOM 73 CA LEU 131 11.996 16.011 13.647 1.00 1.00 ATOM 74 CA PRO 132 10.690 17.461 10.355 1.00 1.00 ATOM 75 CA LEU 133 7.346 15.656 10.223 1.00 1.00 ATOM 76 CA GLU 134 6.524 16.665 13.793 1.00 1.00 ATOM 77 CA GLY 135 6.781 20.445 13.456 1.00 1.00 ATOM 80 CA VAL 136 12.597 23.210 9.850 1.00 1.00 ATOM 81 CA SER 137 15.740 25.140 8.967 1.00 1.00 ATOM 83 CA LEU 138 22.199 25.273 8.841 1.00 1.00 ATOM 84 CA GLU 139 25.909 24.527 8.570 1.00 1.00 ATOM 85 CA GLU 140 29.059 26.240 7.439 1.00 1.00 ATOM 86 CA ILE 141 30.331 23.071 5.693 1.00 1.00 ATOM 87 CA GLN 142 29.120 23.063 2.045 1.00 1.00 ATOM 88 CA LYS 143 29.499 19.324 1.745 1.00 1.00 ATOM 89 CA LEU 144 27.276 18.951 4.844 1.00 1.00 ATOM 90 CA THR 145 24.619 21.165 3.254 1.00 1.00 ATOM 91 CA SER 146 24.713 19.006 0.113 1.00 1.00 ATOM 92 CA ALA 147 24.303 15.782 2.093 1.00 1.00 ATOM 93 CA LEU 148 21.462 17.142 4.232 1.00 1.00 ATOM 94 CA LEU 149 19.562 18.126 1.056 1.00 1.00 ATOM 95 CA LYS 150 20.145 14.652 -0.388 1.00 1.00 ATOM 96 CA SER 151 19.084 13.061 2.898 1.00 1.00 ATOM 97 CA GLY 152 15.751 14.910 2.853 1.00 1.00 ATOM 98 CA ALA 153 15.073 12.910 -0.350 1.00 1.00 ATOM 106 CA SER 154 8.598 22.791 4.989 1.00 1.00 ATOM 107 CA ILE 155 12.326 22.130 5.281 1.00 1.00 ATOM 108 CA GLU 156 15.201 24.250 4.073 1.00 1.00 ATOM 109 CA GLU 157 18.962 23.760 4.275 1.00 1.00 ATOM 110 CA ILE 158 20.995 26.962 4.445 1.00 1.00 ATOM 112 CA ASN 159 25.552 29.723 7.412 1.00 1.00 ATOM 113 CA THR 160 28.475 30.670 9.655 1.00 1.00 ATOM 114 CA VAL 161 26.669 30.034 12.934 1.00 1.00 ATOM 115 CA ARG 162 23.456 32.135 12.798 1.00 1.00 ATOM 116 CA LYS 163 24.614 34.607 10.187 1.00 1.00 ATOM 117 CA HIS 164 22.420 33.449 7.310 1.00 1.00 ATOM 118 CA LEU 165 19.314 32.257 9.179 1.00 1.00 ATOM 119 CA SER 166 18.209 35.427 10.927 1.00 1.00 ATOM 120 CA GLN 167 15.404 35.971 8.403 1.00 1.00 ATOM 121 CA VAL 168 12.925 34.485 10.862 1.00 1.00 ATOM 122 CA LYS 169 12.463 33.729 14.549 1.00 1.00 ATOM 139 CA GLY 170 29.672 27.881 22.668 1.00 1.00 ATOM 140 CA GLY 171 28.749 31.089 24.505 1.00 1.00 ATOM 141 CA ARG 172 27.921 32.773 21.220 1.00 1.00 ATOM 142 CA PHE 173 25.525 29.964 20.262 1.00 1.00 ATOM 143 CA ALA 174 23.675 30.610 23.514 1.00 1.00 ATOM 144 CA GLU 175 23.680 34.409 23.580 1.00 1.00 ATOM 145 CA ARG 176 22.804 34.976 19.911 1.00 1.00 ATOM 146 CA VAL 177 20.317 32.138 20.137 1.00 1.00 ATOM 147 CA PHE 178 18.245 34.050 22.662 1.00 1.00 ATOM 148 CA PRO 179 17.851 36.900 20.180 1.00 1.00 ATOM 149 CA ALA 180 16.405 34.519 17.589 1.00 1.00 ATOM 150 CA LYS 181 13.868 32.781 19.779 1.00 1.00 ATOM 151 CA VAL 182 10.181 33.611 19.850 1.00 1.00 ATOM 154 CA VAL 183 11.008 29.513 22.658 1.00 1.00 ATOM 155 CA ALA 184 13.682 27.084 23.823 1.00 1.00 ATOM 156 CA LEU 185 17.280 26.252 23.009 1.00 1.00 ATOM 157 CA VAL 186 18.337 22.609 23.430 1.00 1.00 ATOM 158 CA LEU 187 21.939 21.472 23.491 1.00 1.00 ATOM 159 CA SER 188 23.719 18.191 24.108 1.00 1.00 ATOM 160 CA ASP 189 27.176 18.281 25.672 1.00 1.00 ATOM 161 CA VAL 190 29.400 15.687 27.303 1.00 1.00 ATOM 162 CA LEU 191 28.980 15.697 31.054 1.00 1.00 ATOM 163 CA GLY 192 30.812 16.751 34.193 1.00 1.00 ATOM 164 CA ASP 193 32.260 20.233 34.392 1.00 1.00 ATOM 165 CA ARG 194 31.742 20.912 30.676 1.00 1.00 ATOM 166 CA LEU 195 27.990 20.572 30.834 1.00 1.00 ATOM 167 CA ASP 196 28.052 22.366 34.213 1.00 1.00 ATOM 168 CA VAL 197 29.991 25.363 32.917 1.00 1.00 ATOM 169 CA ILE 198 27.660 25.636 29.934 1.00 1.00 ATOM 170 CA ALA 199 24.524 25.231 32.096 1.00 1.00 ATOM 171 CA SER 200 25.774 28.108 34.276 1.00 1.00 ATOM 172 CA GLY 201 26.216 30.289 31.208 1.00 1.00 ATOM 174 CA ALA 203 21.237 30.302 33.209 1.00 1.00 ATOM 175 CA TRP 204 23.224 33.552 33.068 1.00 1.00 ATOM 176 CA PRO 205 21.826 34.372 29.650 1.00 1.00 ATOM 177 CA ASP 206 18.264 33.036 29.891 1.00 1.00 ATOM 178 CA SER 207 17.525 33.247 33.598 1.00 1.00 ATOM 179 CA SER 208 16.882 29.491 33.627 1.00 1.00 ATOM 180 CA THR 209 18.327 26.141 32.595 1.00 1.00 ATOM 181 CA SER 210 17.257 22.562 32.975 1.00 1.00 ATOM 182 CA GLU 211 18.996 19.243 32.579 1.00 1.00 ATOM 183 CA ASP 212 16.536 17.167 30.611 1.00 1.00 ATOM 184 CA ALA 213 18.510 13.993 30.577 1.00 1.00 ATOM 185 CA LEU 214 21.906 12.553 31.424 1.00 1.00 ATOM 186 CA LYS 215 22.809 9.380 29.614 1.00 1.00 ATOM 187 CA VAL 216 26.143 7.651 28.998 1.00 1.00 ATOM 188 CA SER 225 28.198 10.725 29.805 1.00 1.00 ATOM 189 CA GLU 226 26.015 13.130 27.799 1.00 1.00 ATOM 190 CA SER 227 23.742 15.821 29.128 1.00 1.00 ATOM 191 CA VAL 228 20.813 17.456 27.332 1.00 1.00 ATOM 192 CA LYS 229 20.342 21.052 28.505 1.00 1.00 ATOM 193 CA ARG 230 17.323 23.234 27.785 1.00 1.00 ATOM 194 CA ALA 231 16.699 26.978 28.415 1.00 1.00 ATOM 195 CA ILE 232 13.458 28.899 27.688 1.00 1.00 ATOM 196 CA LEU 233 13.140 32.482 26.479 1.00 1.00 ATOM 197 CA GLN 234 11.106 34.444 29.029 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 13:36:29 2002 Date: Wed, 21 Aug 2002 13:36:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0187 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 13:08:37 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_224130_30208 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187TS007_3 Current information on models submitted in prediction T0187TS007 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_3 PIN_224130_30208 6269-7633-6117 08/21/02 13:08:37 casp5@bialko.llnl.gov T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 casp5@bialko.llnl.gov T0187TS007_3 PIN_224130_30208 6269-7633-6117 08/21/02 13:08:37 casp5@bialko.llnl.gov T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QJD_A # Loading PARENT structure: 1qjd (chain: A) # Number of residues in PARENT structure: 568 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue W 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue K 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue T 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue E 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue T 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue S 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue R 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue F 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue L 185 # IMPORTANT NOTE! Not complete main chain atoms for residue V 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue S 188 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue L 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue V 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue S 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue P 202 # IMPORTANT NOTE! Not complete main chain atoms for residue A 203 # IMPORTANT NOTE! Not complete main chain atoms for residue W 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue D 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue D 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue K 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 220 # IMPORTANT NOTE! Not complete main chain atoms for residue G 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue E 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue E 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue K 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0187 # Total number of residues in target: 417 # Total number of residues in model: 144 # Total number of atoms in model: 144 # Number of atoms with 1.0 occupancy: 144 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 144 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0187 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QJD_A ATOM 127 CA ASP 38 33.827 27.974 39.504 1.00 1.00 ATOM 128 CA ARG 39 33.724 24.730 41.443 1.00 1.00 ATOM 129 CA VAL 40 32.148 25.704 44.714 1.00 1.00 ATOM 130 CA ILE 41 30.288 28.758 46.011 1.00 1.00 ATOM 131 CA LEU 42 30.162 29.266 49.779 1.00 1.00 ATOM 132 CA VAL 43 27.521 31.540 51.224 1.00 1.00 ATOM 133 CA ALA 44 28.301 33.408 54.482 1.00 1.00 ATOM 134 CA VAL 45 31.620 34.645 55.944 1.00 1.00 ATOM 135 CA GLY 46 31.218 33.332 59.491 1.00 1.00 ATOM 136 CA LYS 47 33.347 30.512 60.850 1.00 1.00 ATOM 137 CA ALA 48 31.578 27.764 58.907 1.00 1.00 ATOM 138 CA ALA 49 31.892 29.639 55.625 1.00 1.00 ATOM 139 CA TRP 50 35.542 30.613 55.858 1.00 1.00 ATOM 140 CA ARG 51 36.389 27.064 57.056 1.00 1.00 ATOM 141 CA MET 52 34.602 25.602 54.014 1.00 1.00 ATOM 142 CA ALA 53 36.170 28.101 51.613 1.00 1.00 ATOM 143 CA LYS 54 39.676 27.320 52.889 1.00 1.00 ATOM 144 CA ALA 55 39.083 23.571 53.073 1.00 1.00 ATOM 145 CA ALA 56 37.768 23.381 49.540 1.00 1.00 ATOM 146 CA TYR 57 40.587 25.509 48.223 1.00 1.00 ATOM 147 CA GLU 58 43.175 23.271 49.832 1.00 1.00 ATOM 148 CA LEU 60 41.385 20.339 48.213 1.00 1.00 ATOM 149 CA GLY 61 41.832 21.648 44.663 1.00 1.00 ATOM 150 CA ILE 64 38.555 23.520 44.191 1.00 1.00 ATOM 151 CA LYS 66 38.102 27.041 42.842 1.00 1.00 ATOM 152 CA GLY 67 35.789 28.868 45.282 1.00 1.00 ATOM 153 CA VAL 68 33.847 32.113 45.563 1.00 1.00 ATOM 154 CA VAL 69 32.845 33.173 49.109 1.00 1.00 ATOM 155 CA VAL 70 30.010 35.665 49.490 1.00 1.00 ATOM 156 CA THR 71 28.802 37.778 52.391 1.00 1.00 ATOM 157 CA LYS 72 25.568 39.748 52.396 1.00 1.00 ATOM 158 CA TYR 73 26.731 42.177 55.103 1.00 1.00 ATOM 159 CA GLY 74 29.312 44.955 54.598 1.00 1.00 ATOM 160 CA HIS 75 31.611 43.236 57.132 1.00 1.00 ATOM 161 CA GLY 123 32.876 39.664 57.635 1.00 1.00 ATOM 162 CA GLY 124 32.432 37.269 60.507 1.00 1.00 ATOM 163 CA GLY 125 28.671 37.078 61.174 1.00 1.00 ATOM 164 CA SER 126 28.039 36.044 64.770 1.00 1.00 ATOM 165 CA SER 127 31.234 34.030 64.853 1.00 1.00 ATOM 166 CA LEU 128 33.322 37.155 65.224 1.00 1.00 ATOM 167 CA PHE 129 31.440 37.853 68.493 1.00 1.00 ATOM 168 CA GLU 130 32.277 34.546 70.206 1.00 1.00 ATOM 169 CA LEU 131 33.799 34.791 73.691 1.00 1.00 ATOM 170 CA PRO 132 33.872 31.738 75.966 1.00 1.00 ATOM 171 CA LEU 133 35.633 29.344 73.611 1.00 1.00 ATOM 172 CA GLU 134 35.698 26.273 71.365 1.00 1.00 ATOM 173 CA GLY 135 34.979 22.828 72.853 1.00 1.00 ATOM 253 CA VAL 136 37.760 33.112 70.907 1.00 1.00 ATOM 254 CA SER 137 35.594 34.642 68.232 1.00 1.00 ATOM 255 CA LEU 138 37.283 37.645 66.708 1.00 1.00 ATOM 256 CA GLU 139 40.545 35.743 66.957 1.00 1.00 ATOM 257 CA GLU 140 39.381 32.633 65.079 1.00 1.00 ATOM 258 CA ILE 141 37.721 34.708 62.341 1.00 1.00 ATOM 259 CA GLN 142 40.815 36.893 61.976 1.00 1.00 ATOM 260 CA LYS 143 42.904 33.764 61.534 1.00 1.00 ATOM 261 CA LEU 144 40.487 32.338 58.935 1.00 1.00 ATOM 262 CA THR 145 40.409 35.671 57.138 1.00 1.00 ATOM 263 CA SER 146 44.206 35.889 57.062 1.00 1.00 ATOM 264 CA ALA 147 44.412 32.353 55.719 1.00 1.00 ATOM 265 CA LEU 148 41.744 33.098 53.081 1.00 1.00 ATOM 266 CA LEU 149 43.642 36.141 51.830 1.00 1.00 ATOM 267 CA LYS 150 46.834 34.083 51.861 1.00 1.00 ATOM 268 CA SER 151 45.217 31.628 49.426 1.00 1.00 ATOM 269 CA GLY 152 43.800 34.474 47.288 1.00 1.00 ATOM 270 CA ALA 153 40.237 33.365 47.955 1.00 1.00 ATOM 271 CA SER 154 37.655 35.358 46.053 1.00 1.00 ATOM 272 CA ILE 155 35.625 37.026 48.828 1.00 1.00 ATOM 273 CA GLU 156 32.687 39.251 47.836 1.00 1.00 ATOM 274 CA GLU 157 30.972 41.579 50.349 1.00 1.00 ATOM 275 CA ILE 158 27.513 43.176 50.021 1.00 1.00 ATOM 276 CA ASN 159 26.648 40.069 47.971 1.00 1.00 ATOM 277 CA THR 160 23.557 38.128 49.021 1.00 1.00 ATOM 278 CA VAL 161 22.870 34.510 48.065 1.00 1.00 ATOM 279 CA ARG 162 19.319 34.461 46.722 1.00 1.00 ATOM 280 CA LYS 163 18.364 31.182 45.066 1.00 1.00 ATOM 281 CA HIS 164 20.192 27.916 44.484 1.00 1.00 ATOM 282 CA LEU 165 19.891 26.869 40.812 1.00 1.00 ATOM 287 CA SER 166 17.779 18.266 40.394 1.00 1.00 ATOM 288 CA GLN 167 21.518 18.697 41.074 1.00 1.00 ATOM 289 CA VAL 168 22.844 22.181 41.754 1.00 1.00 ATOM 290 CA LYS 169 24.218 24.017 38.763 1.00 1.00 ATOM 291 CA GLY 170 24.839 27.345 40.413 1.00 1.00 ATOM 292 CA GLY 171 23.490 30.213 42.437 1.00 1.00 ATOM 293 CA ARG 172 22.061 33.583 41.699 1.00 1.00 ATOM 294 CA PHE 173 23.128 36.369 43.934 1.00 1.00 ATOM 295 CA ALA 174 22.180 40.005 44.438 1.00 1.00 ATOM 301 CA GLU 175 21.638 40.404 40.225 1.00 1.00 ATOM 302 CA ARG 176 23.899 37.852 38.552 1.00 1.00 ATOM 303 CA VAL 177 24.532 34.133 38.812 1.00 1.00 ATOM 304 CA PHE 178 27.537 31.908 39.341 1.00 1.00 ATOM 305 CA PRO 179 27.851 28.576 37.669 1.00 1.00 ATOM 306 CA ALA 180 29.157 25.861 39.976 1.00 1.00 ATOM 307 CA LYS 181 28.918 22.184 40.832 1.00 1.00 ATOM 308 CA VAL 182 28.320 22.810 44.503 1.00 1.00 ATOM 309 CA VAL 183 26.885 25.383 46.886 1.00 1.00 ATOM 310 CA ALA 184 27.636 25.382 50.621 1.00 1.00 ATOM 311 CA LEU 185 25.081 27.277 52.709 1.00 1.00 ATOM 312 CA VAL 186 26.893 28.639 55.761 1.00 1.00 ATOM 348 CA LEU 187 17.203 29.788 50.443 1.00 1.00 ATOM 349 CA SER 188 17.732 26.220 51.622 1.00 1.00 ATOM 350 CA ASP 189 14.011 25.384 51.743 1.00 1.00 ATOM 351 CA VAL 190 13.386 26.853 48.316 1.00 1.00 ATOM 352 CA LEU 191 16.107 24.505 47.033 1.00 1.00 ATOM 353 CA GLY 192 14.137 21.546 48.494 1.00 1.00 ATOM 354 CA ASP 193 15.982 21.126 51.778 1.00 1.00 ATOM 355 CA ARG 194 13.898 20.111 54.760 1.00 1.00 ATOM 356 CA LEU 195 14.235 21.802 58.170 1.00 1.00 ATOM 357 CA ASP 196 14.198 20.112 61.596 1.00 1.00 ATOM 358 CA VAL 197 14.284 20.937 65.299 1.00 1.00 ATOM 359 CA ILE 198 13.250 24.536 64.550 1.00 1.00 ATOM 535 CA ALA 199 22.159 27.074 59.633 1.00 1.00 ATOM 536 CA SER 200 21.900 23.357 60.210 1.00 1.00 ATOM 537 CA GLY 201 19.676 21.403 62.572 1.00 1.00 ATOM 538 CA PRO 202 20.271 18.159 64.464 1.00 1.00 ATOM 539 CA ALA 203 23.666 18.848 65.974 1.00 1.00 ATOM 540 CA TRP 204 22.594 20.495 69.209 1.00 1.00 ATOM 541 CA PRO 205 19.178 19.106 70.064 1.00 1.00 ATOM 542 CA ASP 206 16.938 20.894 72.500 1.00 1.00 ATOM 543 CA SER 207 19.711 22.829 74.273 1.00 1.00 ATOM 544 CA SER 208 23.200 23.642 73.013 1.00 1.00 ATOM 545 CA THR 209 26.238 23.528 75.316 1.00 1.00 ATOM 546 CA SER 210 28.318 26.693 75.589 1.00 1.00 ATOM 547 CA GLU 211 31.428 26.172 73.392 1.00 1.00 ATOM 548 CA ASP 212 29.820 23.684 71.085 1.00 1.00 ATOM 549 CA ALA 213 28.821 26.078 68.267 1.00 1.00 ATOM 550 CA LEU 214 32.327 27.212 67.397 1.00 1.00 ATOM 551 CA LYS 215 33.368 23.533 67.501 1.00 1.00 ATOM 552 CA VAL 216 30.496 22.751 65.111 1.00 1.00 ATOM 553 CA LEU 217 31.204 25.488 62.558 1.00 1.00 ATOM 554 CA GLU 218 34.898 24.641 62.170 1.00 1.00 ATOM 555 CA LYS 219 34.301 20.892 62.043 1.00 1.00 ATOM 556 CA TYR 220 31.315 20.965 59.724 1.00 1.00 ATOM 557 CA GLY 221 32.596 23.901 57.652 1.00 1.00 ATOM 558 CA ILE 222 35.866 22.095 56.932 1.00 1.00 ATOM 559 CA GLU 223 34.039 18.821 56.232 1.00 1.00 ATOM 560 CA THR 224 31.617 20.507 53.827 1.00 1.00 ATOM 561 CA SER 225 34.446 22.188 51.956 1.00 1.00 ATOM 562 CA GLU 226 36.220 18.894 51.403 1.00 1.00 ATOM 563 CA SER 227 33.065 17.022 50.491 1.00 1.00 ATOM 564 CA VAL 228 32.115 19.793 48.068 1.00 1.00 ATOM 565 CA LYS 229 35.512 19.705 46.424 1.00 1.00 ATOM 566 CA ARG 230 35.407 15.932 46.045 1.00 1.00 ATOM 567 CA ALA 231 31.879 16.088 44.629 1.00 1.00 ATOM 568 CA ILE 232 33.791 18.544 42.535 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 13:23:29 2002 Date: Wed, 21 Aug 2002 13:23:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0187 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 12:55:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_690549_30180 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187TS007_4 Current information on models submitted in prediction T0187TS007 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 casp5@bialko.llnl.gov T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1A0P # Loading PARENT structure: 1a0p (chain: ) # Number of residues in PARENT structure: 271 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue E 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue G 284 # IMPORTANT NOTE! Not complete main chain atoms for residue R 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue S 289 # IMPORTANT NOTE! Not complete main chain atoms for residue I 290 # IMPORTANT NOTE! Not complete main chain atoms for residue M 291 # IMPORTANT NOTE! Not complete main chain atoms for residue K 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue K 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue D 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue P 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue K 303 # IMPORTANT NOTE! Not complete main chain atoms for residue P 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue A 306 # IMPORTANT NOTE! Not complete main chain atoms for residue L 307 # IMPORTANT NOTE! Not complete main chain atoms for residue I 308 # IMPORTANT NOTE! Not complete main chain atoms for residue F 309 # IMPORTANT NOTE! Not complete main chain atoms for residue G 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue T 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue V 315 # IMPORTANT NOTE! Not complete main chain atoms for residue H 316 # IMPORTANT NOTE! Not complete main chain atoms for residue V 317 # IMPORTANT NOTE! Not complete main chain atoms for residue K 318 # IMPORTANT NOTE! Not complete main chain atoms for residue G 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue G 321 # IMPORTANT NOTE! Not complete main chain atoms for residue I 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue G 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue N 326 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 327 # IMPORTANT NOTE! Not complete main chain atoms for residue E 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue A 330 # IMPORTANT NOTE! Not complete main chain atoms for residue L 331 # IMPORTANT NOTE! Not complete main chain atoms for residue S 332 # IMPORTANT NOTE! Not complete main chain atoms for residue A 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue I 335 # IMPORTANT NOTE! Not complete main chain atoms for residue A 336 # IMPORTANT NOTE! Not complete main chain atoms for residue L 337 # IMPORTANT NOTE! Not complete main chain atoms for residue E 338 # IMPORTANT NOTE! Not complete main chain atoms for residue E 341 # IMPORTANT NOTE! Not complete main chain atoms for residue G 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue C 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue A 348 # IMPORTANT NOTE! Not complete main chain atoms for residue G 349 # IMPORTANT NOTE! Not complete main chain atoms for residue T 350 # IMPORTANT NOTE! Not complete main chain atoms for residue D 351 # IMPORTANT NOTE! Not complete main chain atoms for residue G 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue G 355 # IMPORTANT NOTE! Not complete main chain atoms for residue P 356 # IMPORTANT NOTE! Not complete main chain atoms for residue T 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue A 359 # IMPORTANT NOTE! Not complete main chain atoms for residue A 360 # IMPORTANT NOTE! Not complete main chain atoms for residue G 361 # IMPORTANT NOTE! Not complete main chain atoms for residue G 362 # IMPORTANT NOTE! Not complete main chain atoms for residue I 363 # IMPORTANT NOTE! Not complete main chain atoms for residue V 364 # IMPORTANT NOTE! Not complete main chain atoms for residue D 365 # IMPORTANT NOTE! Not complete main chain atoms for residue G 366 # IMPORTANT NOTE! Not complete main chain atoms for residue S 367 # IMPORTANT NOTE! Not complete main chain atoms for residue T 368 # IMPORTANT NOTE! Not complete main chain atoms for residue A 369 # IMPORTANT NOTE! Not complete main chain atoms for residue K 370 # IMPORTANT NOTE! Not complete main chain atoms for residue T 371 # IMPORTANT NOTE! Not complete main chain atoms for residue L 372 # IMPORTANT NOTE! Not complete main chain atoms for residue K 373 # IMPORTANT NOTE! Not complete main chain atoms for residue A 374 # IMPORTANT NOTE! Not complete main chain atoms for residue M 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0187 # Total number of residues in target: 417 # Total number of residues in model: 94 # Total number of atoms in model: 94 # Number of atoms with 1.0 occupancy: 94 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 94 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0187 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1A0P ATOM 111 CA ALA 280 31.982 -43.732 39.290 1.00 1.00 ATOM 112 CA ARG 281 35.177 -42.364 37.757 1.00 1.00 ATOM 113 CA GLU 282 34.784 -38.739 39.101 1.00 1.00 ATOM 114 CA ALA 283 35.966 -36.759 42.133 1.00 1.00 ATOM 115 CA GLY 284 33.940 -34.102 43.942 1.00 1.00 ATOM 116 CA ARG 285 36.705 -31.648 43.003 1.00 1.00 ATOM 117 CA PHE 286 36.510 -32.500 39.322 1.00 1.00 ATOM 118 CA ILE 287 32.734 -31.842 39.479 1.00 1.00 ATOM 119 CA ALA 288 33.489 -28.552 41.155 1.00 1.00 ATOM 120 CA SER 289 36.057 -27.577 38.490 1.00 1.00 ATOM 121 CA ILE 290 33.846 -28.597 35.600 1.00 1.00 ATOM 122 CA MET 291 30.910 -26.421 36.825 1.00 1.00 ATOM 123 CA LYS 292 33.432 -23.624 37.468 1.00 1.00 ATOM 124 CA GLU 293 34.985 -23.937 34.014 1.00 1.00 ATOM 125 CA VAL 294 32.497 -21.897 31.879 1.00 1.00 ATOM 126 CA LYS 295 33.497 -18.232 31.445 1.00 1.00 ATOM 127 CA PHE 296 30.336 -16.442 32.575 1.00 1.00 ATOM 128 CA ASP 298 30.838 -13.188 30.638 1.00 1.00 ATOM 129 CA ARG 299 30.595 -14.889 27.284 1.00 1.00 ATOM 130 CA PRO 300 26.923 -15.466 26.411 1.00 1.00 ATOM 131 CA LEU 301 27.615 -18.959 25.007 1.00 1.00 ATOM 132 CA LYS 302 29.425 -20.185 28.087 1.00 1.00 ATOM 133 CA LYS 303 26.864 -18.788 30.459 1.00 1.00 ATOM 134 CA PRO 304 24.248 -20.756 28.523 1.00 1.00 ATOM 135 CA ALA 305 26.550 -23.683 29.090 1.00 1.00 ATOM 136 CA ALA 306 26.845 -22.771 32.766 1.00 1.00 ATOM 137 CA LEU 307 23.051 -22.583 33.118 1.00 1.00 ATOM 138 CA ILE 308 22.464 -25.932 31.425 1.00 1.00 ATOM 139 CA PHE 309 25.110 -27.535 33.659 1.00 1.00 ATOM 140 CA GLY 310 23.591 -26.157 36.866 1.00 1.00 ATOM 141 CA GLY 311 20.169 -27.458 35.715 1.00 1.00 ATOM 164 CA GLU 312 7.648 -21.055 40.533 1.00 1.00 ATOM 165 CA THR 313 11.199 -22.542 40.556 1.00 1.00 ATOM 166 CA VAL 314 10.347 -25.412 38.237 1.00 1.00 ATOM 167 CA VAL 315 10.833 -26.650 34.677 1.00 1.00 ATOM 168 CA HIS 316 8.315 -28.709 32.776 1.00 1.00 ATOM 169 CA VAL 317 9.615 -31.932 31.287 1.00 1.00 ATOM 170 CA LYS 318 7.925 -33.786 28.458 1.00 1.00 ATOM 171 CA GLY 319 8.195 -37.559 28.424 1.00 1.00 ATOM 172 CA ASN 320 7.125 -40.765 26.717 1.00 1.00 ATOM 173 CA GLY 321 3.381 -40.372 26.276 1.00 1.00 ATOM 174 CA ILE 322 2.643 -36.736 26.674 1.00 1.00 ATOM 175 CA GLY 323 3.746 -37.327 30.181 1.00 1.00 ATOM 176 CA GLY 324 4.506 -33.826 31.448 1.00 1.00 ATOM 177 CA ARG 325 5.964 -33.353 34.864 1.00 1.00 ATOM 178 CA ASN 326 7.452 -30.546 36.831 1.00 1.00 ATOM 179 CA GLN 327 10.934 -30.834 38.274 1.00 1.00 ATOM 180 CA GLU 328 11.914 -28.227 40.839 1.00 1.00 ATOM 181 CA LEU 329 15.176 -26.415 40.029 1.00 1.00 ATOM 182 CA ALA 330 16.330 -25.246 43.495 1.00 1.00 ATOM 183 CA LEU 331 17.828 -21.832 44.356 1.00 1.00 ATOM 184 CA SER 332 21.150 -22.078 42.551 1.00 1.00 ATOM 185 CA ALA 333 19.756 -23.264 39.232 1.00 1.00 ATOM 186 CA ALA 334 17.056 -20.591 39.344 1.00 1.00 ATOM 187 CA ILE 335 19.758 -18.026 39.986 1.00 1.00 ATOM 188 CA ALA 336 21.949 -19.231 37.104 1.00 1.00 ATOM 189 CA LEU 337 18.917 -19.429 34.822 1.00 1.00 ATOM 190 CA GLU 338 17.982 -15.855 35.788 1.00 1.00 ATOM 206 CA GLU 341 12.766 -19.125 18.805 1.00 1.00 ATOM 207 CA GLY 342 10.926 -20.735 21.707 1.00 1.00 ATOM 208 CA VAL 343 14.055 -22.799 22.454 1.00 1.00 ATOM 209 CA ILE 344 15.292 -22.177 25.969 1.00 1.00 ATOM 210 CA LEU 345 19.000 -22.847 25.198 1.00 1.00 ATOM 211 CA CYS 346 19.757 -22.025 21.586 1.00 1.00 ATOM 212 CA SER 347 23.002 -22.447 19.704 1.00 1.00 ATOM 250 CA ALA 348 26.360 -34.675 39.960 1.00 1.00 ATOM 251 CA GLY 349 23.637 -36.540 41.893 1.00 1.00 ATOM 252 CA THR 350 26.132 -37.541 44.584 1.00 1.00 ATOM 253 CA ASP 351 27.693 -34.091 44.897 1.00 1.00 ATOM 254 CA GLY 352 24.264 -32.484 44.986 1.00 1.00 ATOM 255 CA THR 353 23.166 -34.955 47.615 1.00 1.00 ATOM 256 CA ASP 354 26.327 -34.433 49.661 1.00 1.00 ATOM 257 CA GLY 355 26.233 -30.622 49.350 1.00 1.00 ATOM 258 CA PRO 356 22.810 -29.205 48.289 1.00 1.00 ATOM 259 CA THR 357 21.129 -26.666 50.581 1.00 1.00 ATOM 260 CA ASP 358 17.426 -27.270 50.084 1.00 1.00 ATOM 261 CA ALA 359 17.610 -31.014 50.675 1.00 1.00 ATOM 262 CA ALA 360 18.660 -30.954 54.284 1.00 1.00 ATOM 263 CA GLY 361 17.462 -34.361 55.412 1.00 1.00 ATOM 264 CA GLY 362 17.140 -36.219 52.168 1.00 1.00 ATOM 265 CA ILE 363 20.592 -37.360 53.370 1.00 1.00 ATOM 266 CA VAL 364 19.015 -38.538 56.653 1.00 1.00 ATOM 267 CA ASP 365 16.232 -40.557 54.998 1.00 1.00 ATOM 268 CA GLY 366 18.535 -42.021 52.381 1.00 1.00 ATOM 271 CA SER 367 22.649 -46.328 51.687 1.00 1.00 ATOM 272 CA THR 368 23.688 -47.451 48.194 1.00 1.00 ATOM 273 CA ALA 369 22.365 -44.502 46.243 1.00 1.00 ATOM 274 CA LYS 370 21.197 -44.869 42.657 1.00 1.00 ATOM 275 CA THR 371 21.256 -41.823 40.267 1.00 1.00 ATOM 276 CA LEU 372 17.512 -41.795 39.607 1.00 1.00 ATOM 277 CA LYS 373 16.636 -42.648 43.215 1.00 1.00 ATOM 278 CA ALA 374 18.782 -39.694 44.365 1.00 1.00 ATOM 279 CA MET 375 17.127 -37.238 41.977 1.00 1.00 ATOM 280 CA GLY 376 13.679 -38.655 42.722 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 13:40:29 2002 Date: Wed, 21 Aug 2002 13:40:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0187 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 21 13:12:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_264614_30219 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0187TS007_5 Current information on models submitted in prediction T0187TS007 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_5 PIN_264614_30219 6269-7633-6117 08/21/02 13:12:29 casp5@bialko.llnl.gov T0187TS007_3 PIN_224130_30208 6269-7633-6117 08/21/02 13:08:37 casp5@bialko.llnl.gov T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 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 T0187 MODEL_INDEX PIN CODE DATE E-mail T0187TS007_1 PIN_688751_30179 6269-7633-6117 08/21/02 12:55:15 casp5@bialko.llnl.gov T0187TS007_2 PIN_645149_30166 6269-7633-6117 08/21/02 12:50:57 casp5@bialko.llnl.gov T0187TS007_3 PIN_224130_30208 6269-7633-6117 08/21/02 13:08:37 casp5@bialko.llnl.gov T0187TS007_4 PIN_690549_30180 6269-7633-6117 08/21/02 12:55:35 casp5@bialko.llnl.gov T0187TS007_5 PIN_264614_30219 6269-7633-6117 08/21/02 13:12:29 casp5@bialko.llnl.gov T0187SS007_1 PIN_146831_24629 6269-7633-6117 08/15/02 07:01:43 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 T0187 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1ZFJ_A # Loading PARENT structure: 1zfj (chain: A) # Number of residues in PARENT structure: 464 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue K 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue R 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue T 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue F 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue H 90 # IMPORTANT NOTE! Not complete main chain atoms for residue P 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 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 T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue E 282 # IMPORTANT NOTE! Not complete main chain atoms for residue A 283 # IMPORTANT NOTE! Not complete main chain atoms for residue G 284 # IMPORTANT NOTE! Not complete main chain atoms for residue R 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue S 289 # IMPORTANT NOTE! Not complete main chain atoms for residue I 290 # IMPORTANT NOTE! Not complete main chain atoms for residue M 291 # IMPORTANT NOTE! Not complete main chain atoms for residue K 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue K 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue K 297 # IMPORTANT NOTE! Not complete main chain atoms for residue D 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue P 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue K 302 # IMPORTANT NOTE! Not complete main chain atoms for residue K 303 # IMPORTANT NOTE! Not complete main chain atoms for residue P 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue A 306 # IMPORTANT NOTE! Not complete main chain atoms for residue L 307 # IMPORTANT NOTE! Not complete main chain atoms for residue I 308 # IMPORTANT NOTE! Not complete main chain atoms for residue F 309 # IMPORTANT NOTE! Not complete main chain atoms for residue G 310 # IMPORTANT NOTE! Not complete main chain atoms for residue G 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue T 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue V 315 # IMPORTANT NOTE! Not complete main chain atoms for residue H 316 # IMPORTANT NOTE! Not complete main chain atoms for residue V 317 # IMPORTANT NOTE! Not complete main chain atoms for residue K 318 # IMPORTANT NOTE! Not complete main chain atoms for residue G 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue G 321 # IMPORTANT NOTE! Not complete main chain atoms for residue I 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue G 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue N 326 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 327 # IMPORTANT NOTE! Not complete main chain atoms for residue E 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue A 330 # IMPORTANT NOTE! Not complete main chain atoms for residue L 331 # IMPORTANT NOTE! Not complete main chain atoms for residue S 332 # IMPORTANT NOTE! Not complete main chain atoms for residue A 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue I 335 # IMPORTANT NOTE! Not complete main chain atoms for residue A 336 # IMPORTANT NOTE! Not complete main chain atoms for residue L 337 # IMPORTANT NOTE! Not complete main chain atoms for residue E 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue I 340 # IMPORTANT NOTE! Not complete main chain atoms for residue E 341 # IMPORTANT NOTE! Not complete main chain atoms for residue G 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue C 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue A 348 # IMPORTANT NOTE! Not complete main chain atoms for residue G 349 # IMPORTANT NOTE! Not complete main chain atoms for residue T 350 # IMPORTANT NOTE! Not complete main chain atoms for residue D 351 # IMPORTANT NOTE! Not complete main chain atoms for residue G 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue G 355 # IMPORTANT NOTE! Not complete main chain atoms for residue P 356 # IMPORTANT NOTE! Not complete main chain atoms for residue T 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue A 359 # IMPORTANT NOTE! Not complete main chain atoms for residue A 360 # IMPORTANT NOTE! Not complete main chain atoms for residue G 361 # IMPORTANT NOTE! Not complete main chain atoms for residue G 362 # IMPORTANT NOTE! Not complete main chain atoms for residue I 363 # IMPORTANT NOTE! Not complete main chain atoms for residue V 364 # IMPORTANT NOTE! Not complete main chain atoms for residue D 365 # IMPORTANT NOTE! Not complete main chain atoms for residue G 366 # IMPORTANT NOTE! Not complete main chain atoms for residue S 367 # IMPORTANT NOTE! Not complete main chain atoms for residue T 368 # IMPORTANT NOTE! Not complete main chain atoms for residue A 369 # IMPORTANT NOTE! Not complete main chain atoms for residue K 370 # IMPORTANT NOTE! Not complete main chain atoms for residue T 371 # IMPORTANT NOTE! Not complete main chain atoms for residue L 372 # IMPORTANT NOTE! Not complete main chain atoms for residue K 373 # IMPORTANT NOTE! Not complete main chain atoms for residue A 374 # IMPORTANT NOTE! Not complete main chain atoms for residue M 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0187 # Total number of residues in target: 417 # Total number of residues in model: 163 # Total number of atoms in model: 163 # Number of atoms with 1.0 occupancy: 163 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 163 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0187 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1ZFJ_A ATOM 172 CA ARG 51 135.074 75.242 22.441 1.00 1.00 ATOM 173 CA MET 52 133.578 76.782 19.307 1.00 1.00 ATOM 174 CA ALA 53 134.840 80.230 20.249 1.00 1.00 ATOM 175 CA LYS 54 138.501 79.156 20.252 1.00 1.00 ATOM 176 CA ALA 55 138.122 76.803 17.271 1.00 1.00 ATOM 177 CA ALA 56 136.655 79.657 15.217 1.00 1.00 ATOM 178 CA TYR 57 139.779 81.605 16.099 1.00 1.00 ATOM 179 CA GLU 58 142.070 78.763 15.046 1.00 1.00 ATOM 180 CA VAL 59 140.102 78.107 11.849 1.00 1.00 ATOM 181 CA LEU 60 140.340 81.790 10.953 1.00 1.00 ATOM 182 CA GLY 61 144.092 82.123 11.476 1.00 1.00 ATOM 183 CA LYS 62 144.758 79.101 9.262 1.00 1.00 ATOM 184 CA LYS 63 142.147 79.887 6.622 1.00 1.00 ATOM 185 CA ILE 64 140.589 76.447 7.079 1.00 1.00 ATOM 186 CA ARG 65 137.075 75.057 7.450 1.00 1.00 ATOM 187 CA LYS 66 137.590 71.805 9.422 1.00 1.00 ATOM 188 CA GLY 67 139.500 71.619 12.714 1.00 1.00 ATOM 189 CA VAL 68 140.327 68.088 13.949 1.00 1.00 ATOM 190 CA VAL 69 140.414 67.623 17.729 1.00 1.00 ATOM 191 CA VAL 70 143.069 65.223 18.984 1.00 1.00 ATOM 192 CA THR 71 144.449 64.285 22.381 1.00 1.00 ATOM 193 CA LYS 72 148.033 64.774 23.525 1.00 1.00 ATOM 194 CA TYR 73 148.879 61.564 21.691 1.00 1.00 ATOM 195 CA GLY 74 147.505 62.613 18.305 1.00 1.00 ATOM 196 CA HIS 75 144.412 60.441 18.696 1.00 1.00 ATOM 197 CA SER 76 141.332 61.792 16.904 1.00 1.00 ATOM 198 CA GLU 77 138.452 62.585 19.277 1.00 1.00 ATOM 199 CA GLY 78 136.240 64.641 16.990 1.00 1.00 ATOM 200 CA PRO 79 136.031 67.564 14.590 1.00 1.00 ATOM 201 CA ILE 80 134.759 71.160 14.591 1.00 1.00 ATOM 202 CA ASP 81 133.660 72.906 11.379 1.00 1.00 ATOM 203 CA ASP 82 133.062 76.461 10.196 1.00 1.00 ATOM 204 CA PHE 83 129.388 75.578 9.588 1.00 1.00 ATOM 205 CA GLU 84 128.950 74.472 13.224 1.00 1.00 ATOM 206 CA ILE 85 130.092 77.933 14.209 1.00 1.00 ATOM 207 CA TYR 86 127.737 79.479 11.671 1.00 1.00 ATOM 208 CA GLU 87 124.770 77.396 12.838 1.00 1.00 ATOM 209 CA ALA 88 125.305 78.713 16.346 1.00 1.00 ATOM 210 CA GLY 89 124.791 82.164 14.822 1.00 1.00 ATOM 211 CA HIS 90 121.832 81.179 12.635 1.00 1.00 ATOM 212 CA PRO 91 119.912 79.465 15.466 1.00 1.00 ATOM 230 CA VAL 92 105.652 51.453 23.240 1.00 1.00 ATOM 231 CA PRO 93 105.176 48.719 25.801 1.00 1.00 ATOM 232 CA ASP 94 105.881 45.532 23.845 1.00 1.00 ATOM 233 CA GLU 95 108.491 42.768 23.755 1.00 1.00 ATOM 234 CA ASN 96 110.901 44.779 21.606 1.00 1.00 ATOM 235 CA THR 97 110.775 47.866 23.837 1.00 1.00 ATOM 236 CA ILE 98 114.133 47.403 25.594 1.00 1.00 ATOM 237 CA LYS 99 115.835 46.548 22.320 1.00 1.00 ATOM 238 CA THR 100 114.244 49.691 20.880 1.00 1.00 ATOM 239 CA THR 101 114.991 51.960 23.848 1.00 1.00 ATOM 240 CA ARG 102 118.631 50.852 23.965 1.00 1.00 ATOM 241 CA ARG 103 118.999 51.373 20.208 1.00 1.00 ATOM 242 CA VAL 104 117.603 54.902 20.549 1.00 1.00 ATOM 243 CA LEU 105 119.749 55.879 23.534 1.00 1.00 ATOM 244 CA GLU 106 122.779 54.431 21.763 1.00 1.00 ATOM 245 CA LEU 107 121.964 56.619 18.770 1.00 1.00 ATOM 246 CA VAL 108 122.022 59.640 21.039 1.00 1.00 ATOM 247 CA ASP 109 118.465 60.123 22.328 1.00 1.00 ATOM 248 CA GLN 110 118.401 62.541 25.262 1.00 1.00 ATOM 249 CA LEU 111 115.127 61.020 26.439 1.00 1.00 ATOM 250 CA ASN 112 112.669 58.324 25.421 1.00 1.00 ATOM 251 CA GLU 113 108.894 58.615 25.385 1.00 1.00 ATOM 252 CA ASN 114 106.907 55.567 26.445 1.00 1.00 ATOM 253 CA ASP 115 103.793 56.405 24.439 1.00 1.00 ATOM 254 CA GLU 279 100.654 54.553 25.507 1.00 1.00 ATOM 255 CA ALA 280 96.901 54.943 25.000 1.00 1.00 ATOM 256 CA ARG 281 96.211 54.183 28.652 1.00 1.00 ATOM 257 CA GLU 282 99.196 54.927 30.871 1.00 1.00 ATOM 258 CA ALA 283 97.277 54.009 34.005 1.00 1.00 ATOM 259 CA GLY 284 97.502 50.340 32.974 1.00 1.00 ATOM 260 CA ARG 285 99.075 47.718 35.228 1.00 1.00 ATOM 261 CA PHE 286 101.013 46.368 32.271 1.00 1.00 ATOM 262 CA ILE 287 102.372 49.769 31.260 1.00 1.00 ATOM 263 CA ALA 288 103.404 50.504 34.842 1.00 1.00 ATOM 264 CA SER 289 105.067 47.107 34.981 1.00 1.00 ATOM 265 CA ILE 290 107.068 47.684 31.795 1.00 1.00 ATOM 266 CA MET 291 107.999 51.244 32.783 1.00 1.00 ATOM 267 CA LYS 292 109.404 50.105 36.117 1.00 1.00 ATOM 268 CA GLU 293 111.386 47.470 34.246 1.00 1.00 ATOM 269 CA VAL 294 112.591 50.117 31.799 1.00 1.00 ATOM 270 CA LYS 295 113.592 52.372 34.696 1.00 1.00 ATOM 271 CA PHE 296 115.224 49.538 36.638 1.00 1.00 ATOM 272 CA LYS 297 117.368 49.048 33.559 1.00 1.00 ATOM 273 CA ASP 298 117.991 52.755 32.806 1.00 1.00 ATOM 274 CA ARG 299 118.355 54.329 36.313 1.00 1.00 ATOM 275 CA PRO 300 120.015 57.527 35.042 1.00 1.00 ATOM 276 CA LEU 301 118.143 58.183 31.782 1.00 1.00 ATOM 277 CA LYS 302 115.251 60.654 31.429 1.00 1.00 ATOM 278 CA LYS 303 111.915 58.889 31.070 1.00 1.00 ATOM 279 CA PRO 304 108.759 60.517 29.713 1.00 1.00 ATOM 280 CA ALA 305 105.657 58.354 29.914 1.00 1.00 ATOM 281 CA ALA 306 102.314 57.614 28.273 1.00 1.00 ATOM 282 CA LEU 307 99.063 59.443 28.729 1.00 1.00 ATOM 283 CA ILE 308 96.907 59.873 31.790 1.00 1.00 ATOM 284 CA PHE 309 94.254 62.426 32.639 1.00 1.00 ATOM 285 CA GLY 310 93.936 62.015 36.403 1.00 1.00 ATOM 286 CA GLY 311 95.951 62.766 39.536 1.00 1.00 ATOM 287 CA GLU 312 96.295 59.058 40.354 1.00 1.00 ATOM 288 CA THR 313 97.495 58.204 36.876 1.00 1.00 ATOM 289 CA VAL 314 100.257 60.793 37.156 1.00 1.00 ATOM 290 CA VAL 315 101.091 59.433 40.600 1.00 1.00 ATOM 291 CA HIS 316 101.176 55.829 39.356 1.00 1.00 ATOM 292 CA VAL 317 103.579 56.823 36.570 1.00 1.00 ATOM 293 CA LYS 318 105.809 58.947 38.804 1.00 1.00 ATOM 294 CA GLY 319 105.846 56.104 41.325 1.00 1.00 ATOM 295 CA ASN 320 106.879 53.802 38.455 1.00 1.00 ATOM 296 CA GLY 321 109.948 55.933 37.882 1.00 1.00 ATOM 297 CA ILE 322 108.978 58.328 35.101 1.00 1.00 ATOM 306 CA GLY 323 91.541 65.875 23.226 1.00 1.00 ATOM 307 CA GLY 324 93.446 65.148 19.994 1.00 1.00 ATOM 308 CA ARG 325 92.209 66.802 16.783 1.00 1.00 ATOM 309 CA ASN 326 92.346 63.416 15.045 1.00 1.00 ATOM 310 CA GLN 327 91.380 61.483 18.209 1.00 1.00 ATOM 311 CA GLU 328 88.143 59.500 18.487 1.00 1.00 ATOM 312 CA LEU 329 88.794 57.905 21.884 1.00 1.00 ATOM 313 CA ALA 330 86.015 59.899 23.519 1.00 1.00 ATOM 314 CA LEU 331 83.576 58.952 20.774 1.00 1.00 ATOM 315 CA SER 332 84.322 55.255 20.286 1.00 1.00 ATOM 316 CA ALA 333 85.273 54.322 23.864 1.00 1.00 ATOM 317 CA ALA 334 83.378 57.167 25.511 1.00 1.00 ATOM 318 CA ILE 335 86.369 57.879 27.760 1.00 1.00 ATOM 319 CA ALA 336 88.304 61.043 28.578 1.00 1.00 ATOM 320 CA LEU 337 88.484 64.281 30.535 1.00 1.00 ATOM 321 CA GLU 338 88.438 67.928 29.408 1.00 1.00 ATOM 322 CA GLY 339 92.099 68.880 28.948 1.00 1.00 ATOM 323 CA ILE 340 92.401 71.970 31.175 1.00 1.00 ATOM 324 CA GLU 341 91.029 69.961 34.106 1.00 1.00 ATOM 325 CA GLY 342 93.253 66.958 33.324 1.00 1.00 ATOM 326 CA VAL 343 96.458 69.067 33.182 1.00 1.00 ATOM 327 CA ILE 344 95.512 70.739 36.439 1.00 1.00 ATOM 328 CA LEU 345 94.573 67.559 38.312 1.00 1.00 ATOM 329 CA CYS 346 97.848 65.969 37.185 1.00 1.00 ATOM 330 CA SER 347 99.993 69.041 37.839 1.00 1.00 ATOM 331 CA ALA 348 98.882 68.923 41.467 1.00 1.00 ATOM 332 CA GLY 349 100.851 65.683 41.723 1.00 1.00 ATOM 333 CA THR 350 103.723 66.889 39.543 1.00 1.00 ATOM 334 CA ASP 351 104.422 69.544 42.136 1.00 1.00 ATOM 335 CA GLY 352 104.029 67.158 45.046 1.00 1.00 ATOM 336 CA THR 353 106.786 65.075 43.458 1.00 1.00 ATOM 337 CA ASP 354 108.635 68.122 42.229 1.00 1.00 ATOM 338 CA GLY 355 108.413 66.698 38.713 1.00 1.00 ATOM 339 CA PRO 356 107.056 67.863 35.356 1.00 1.00 ATOM 340 CA THR 357 104.174 67.543 32.911 1.00 1.00 ATOM 341 CA ASP 358 103.573 67.873 29.176 1.00 1.00 ATOM 342 CA ALA 359 100.121 69.060 28.046 1.00 1.00 ATOM 343 CA ALA 360 99.390 66.729 25.121 1.00 1.00 ATOM 344 CA GLY 361 96.696 67.569 22.565 1.00 1.00 ATOM 345 CA GLY 362 93.614 69.664 21.922 1.00 1.00 ATOM 346 CA ILE 363 95.637 72.827 21.322 1.00 1.00 ATOM 347 CA VAL 364 94.605 74.756 18.228 1.00 1.00 ATOM 348 CA ASP 365 95.552 78.357 18.982 1.00 1.00 ATOM 349 CA GLY 366 98.632 79.970 20.503 1.00 1.00 ATOM 350 CA SER 367 96.310 81.212 23.234 1.00 1.00 ATOM 351 CA THR 368 95.573 77.573 24.085 1.00 1.00 ATOM 352 CA ALA 369 99.274 77.032 24.749 1.00 1.00 ATOM 353 CA LYS 370 99.269 79.753 27.413 1.00 1.00 ATOM 354 CA THR 371 96.168 78.266 29.049 1.00 1.00 ATOM 355 CA LEU 372 97.716 74.782 29.017 1.00 1.00 ATOM 356 CA LYS 373 100.858 76.168 30.630 1.00 1.00 ATOM 357 CA ALA 374 98.858 78.243 33.109 1.00 1.00 ATOM 358 CA MET 375 96.856 75.192 34.189 1.00 1.00 ATOM 359 CA GLY 376 100.074 73.460 35.206 1.00 1.00 TER END ################################ # # # END # # # ################################