From mailer@bialko.llnl.gov Tue May 28 18:00:40 2002 Date: Tue, 28 May 2002 18:00:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:34:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_463308_10052 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_2 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1REC # Loading PARENT structure: 1rec (chain: ) # Number of residues in PARENT structure: 185 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue F 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue M 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 167 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue E 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 143 # Total number of atoms in model: 143 # Number of atoms with 1.0 occupancy: 143 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 143 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1REC ATOM 9 CA LEU 8 53.076 27.080 27.026 1.00 1.00 ATOM 10 CA ASN 9 53.637 30.519 28.661 1.00 1.00 ATOM 11 CA GLN 10 50.545 31.985 26.933 1.00 1.00 ATOM 12 CA GLN 11 48.828 28.593 27.422 1.00 1.00 ATOM 13 CA LEU 12 49.528 28.727 31.216 1.00 1.00 ATOM 14 CA LYS 13 48.602 32.420 31.357 1.00 1.00 ATOM 15 CA SER 14 45.443 31.436 29.483 1.00 1.00 ATOM 16 CA ALA 15 44.475 28.693 31.964 1.00 1.00 ATOM 20 CA GLY 16 45.233 33.624 39.178 1.00 1.00 ATOM 21 CA ILE 17 48.641 34.329 37.578 1.00 1.00 ATOM 22 CA GLY 18 51.557 35.784 39.549 1.00 1.00 ATOM 23 CA PHE 19 53.758 35.859 36.454 1.00 1.00 ATOM 24 CA ASN 20 54.040 37.480 33.054 1.00 1.00 ATOM 25 CA ALA 21 54.881 35.417 29.970 1.00 1.00 ATOM 26 CA THR 22 58.459 36.708 30.080 1.00 1.00 ATOM 27 CA GLU 23 58.868 35.643 33.719 1.00 1.00 ATOM 28 CA LEU 24 57.279 32.259 32.961 1.00 1.00 ATOM 29 CA HIS 25 59.802 31.937 30.146 1.00 1.00 ATOM 30 CA GLY 26 62.655 32.710 32.552 1.00 1.00 ATOM 31 CA PHE 27 61.410 30.145 35.092 1.00 1.00 ATOM 32 CA LEU 28 61.084 27.695 32.192 1.00 1.00 ATOM 33 CA SER 29 64.716 28.124 31.055 1.00 1.00 ATOM 34 CA GLY 30 65.736 27.425 34.637 1.00 1.00 ATOM 35 CA LEU 31 63.401 24.399 34.874 1.00 1.00 ATOM 36 CA LEU 32 64.944 22.886 31.722 1.00 1.00 ATOM 41 CA CYS 33 63.054 16.665 29.206 1.00 1.00 ATOM 42 CA GLY 34 60.607 19.329 30.465 1.00 1.00 ATOM 43 CA GLY 35 58.718 16.661 32.437 1.00 1.00 ATOM 44 CA LEU 36 58.617 16.031 36.182 1.00 1.00 ATOM 45 CA LYS 37 57.606 12.694 37.730 1.00 1.00 ATOM 46 CA ASP 38 55.356 12.178 40.717 1.00 1.00 ATOM 47 CA GLN 39 58.381 11.373 42.846 1.00 1.00 ATOM 48 CA SER 40 60.141 14.573 41.797 1.00 1.00 ATOM 49 CA TRP 41 56.963 16.576 42.469 1.00 1.00 ATOM 50 CA LEU 42 56.492 15.090 45.977 1.00 1.00 ATOM 51 CA PRO 43 60.093 16.028 46.800 1.00 1.00 ATOM 52 CA LEU 44 59.295 19.766 46.307 1.00 1.00 ATOM 53 CA LEU 45 56.598 19.581 49.017 1.00 1.00 ATOM 54 CA TYR 46 58.762 17.488 51.354 1.00 1.00 ATOM 55 CA GLN 47 61.601 19.988 50.994 1.00 1.00 ATOM 56 CA PHE 48 59.443 23.059 51.552 1.00 1.00 ATOM 57 CA SER 49 57.043 21.838 54.270 1.00 1.00 ATOM 58 CA ASN 50 59.572 20.357 56.765 1.00 1.00 ATOM 59 CA ASP 51 57.132 20.341 59.660 1.00 1.00 ATOM 60 CA ALA 54 54.394 18.339 57.895 1.00 1.00 ATOM 61 CA TYR 55 53.970 15.086 55.945 1.00 1.00 ATOM 62 CA PRO 56 53.121 16.323 52.384 1.00 1.00 ATOM 63 CA THR 57 53.397 12.991 50.498 1.00 1.00 ATOM 64 CA GLY 58 49.677 12.095 50.197 1.00 1.00 ATOM 65 CA LEU 59 48.844 15.741 49.515 1.00 1.00 ATOM 66 CA VAL 60 51.435 16.160 46.764 1.00 1.00 ATOM 67 CA GLN 61 50.345 12.849 45.197 1.00 1.00 ATOM 68 CA PRO 62 46.663 13.951 45.076 1.00 1.00 ATOM 69 CA VAL 63 47.596 17.337 43.593 1.00 1.00 ATOM 70 CA THR 64 49.788 15.562 40.960 1.00 1.00 ATOM 71 CA GLN 72 46.929 13.159 40.255 1.00 1.00 ATOM 72 CA THR 73 44.432 15.970 39.713 1.00 1.00 ATOM 73 CA LEU 74 46.259 16.745 36.445 1.00 1.00 ATOM 79 CA PHE 80 53.543 9.339 34.605 1.00 1.00 ATOM 80 CA THR 81 54.767 12.926 34.567 1.00 1.00 ATOM 81 CA PHE 82 53.630 16.537 34.556 1.00 1.00 ATOM 82 CA GLU 83 54.910 19.003 32.022 1.00 1.00 ATOM 83 CA GLN 95 56.005 22.528 32.969 1.00 1.00 ATOM 84 CA ALA 96 52.515 23.927 32.403 1.00 1.00 ATOM 85 CA SER 100 50.799 21.591 34.830 1.00 1.00 ATOM 86 CA ASP 101 53.675 21.972 37.272 1.00 1.00 ATOM 87 CA TRP 102 53.261 25.776 37.321 1.00 1.00 ATOM 88 CA ALA 103 49.463 25.520 37.683 1.00 1.00 ATOM 89 CA ASN 104 49.761 22.971 40.526 1.00 1.00 ATOM 90 CA GLN 105 52.015 25.381 42.469 1.00 1.00 ATOM 91 CA PHE 106 49.527 28.216 41.895 1.00 1.00 ATOM 92 CA LEU 107 46.575 26.034 43.017 1.00 1.00 ATOM 93 CA LEU 108 48.178 25.081 46.313 1.00 1.00 ATOM 94 CA GLY 109 49.841 28.378 47.135 1.00 1.00 ATOM 95 CA ILE 110 48.446 31.473 45.413 1.00 1.00 ATOM 96 CA GLY 111 45.153 33.237 44.726 1.00 1.00 ATOM 97 CA LEU 112 41.785 32.986 46.369 1.00 1.00 ATOM 98 CA ALA 113 40.167 29.601 46.856 1.00 1.00 ATOM 99 CA GLN 114 36.923 30.688 45.196 1.00 1.00 ATOM 100 CA PRO 115 38.790 31.078 41.928 1.00 1.00 ATOM 101 CA GLU 116 39.916 27.438 41.965 1.00 1.00 ATOM 102 CA LEU 117 36.541 25.677 42.385 1.00 1.00 ATOM 103 CA ALA 118 36.630 23.733 39.094 1.00 1.00 ATOM 104 CA LYS 119 40.159 22.450 39.863 1.00 1.00 ATOM 105 CA GLU 120 39.165 21.664 43.486 1.00 1.00 ATOM 106 CA LYS 121 36.452 19.353 42.152 1.00 1.00 ATOM 107 CA GLY 122 39.202 17.512 40.243 1.00 1.00 ATOM 108 CA GLU 123 41.228 17.256 43.456 1.00 1.00 ATOM 109 CA ILE 124 38.285 15.802 45.462 1.00 1.00 ATOM 120 CA GLY 125 35.292 8.284 51.004 1.00 1.00 ATOM 121 CA GLU 126 36.995 10.660 48.552 1.00 1.00 ATOM 122 CA ALA 127 36.343 13.702 50.738 1.00 1.00 ATOM 123 CA VAL 128 37.760 11.803 53.711 1.00 1.00 ATOM 124 CA ASP 129 40.853 10.927 51.654 1.00 1.00 ATOM 125 CA ASP 130 41.581 14.529 50.674 1.00 1.00 ATOM 126 CA LEU 131 40.745 15.964 54.123 1.00 1.00 ATOM 127 CA GLN 132 43.159 13.429 55.700 1.00 1.00 ATOM 128 CA ASP 133 45.986 14.453 53.310 1.00 1.00 ATOM 129 CA ILE 134 45.342 18.170 53.992 1.00 1.00 ATOM 130 CA CYS 135 45.346 17.468 57.743 1.00 1.00 ATOM 131 CA GLN 136 48.822 15.934 57.351 1.00 1.00 ATOM 132 CA LEU 137 50.014 19.319 56.086 1.00 1.00 ATOM 140 CA GLY 138 43.720 25.277 67.731 1.00 1.00 ATOM 141 CA TYR 139 40.996 23.527 65.695 1.00 1.00 ATOM 142 CA ASP 140 37.313 23.604 66.767 1.00 1.00 ATOM 143 CA GLU 141 36.106 20.418 68.465 1.00 1.00 ATOM 144 CA ASP 142 33.806 19.583 65.562 1.00 1.00 ATOM 145 CA ASP 143 36.578 19.767 62.935 1.00 1.00 ATOM 146 CA ASN 144 39.631 18.499 64.800 1.00 1.00 ATOM 147 CA GLU 145 40.020 15.094 63.077 1.00 1.00 ATOM 148 CA GLU 146 39.847 14.073 59.386 1.00 1.00 ATOM 149 CA GLU 147 36.605 12.155 59.975 1.00 1.00 ATOM 151 CA LEU 148 35.936 17.595 59.186 1.00 1.00 ATOM 152 CA ALA 149 34.790 15.216 56.348 1.00 1.00 ATOM 153 CA GLU 150 31.419 14.481 58.043 1.00 1.00 ATOM 154 CA ALA 151 30.707 18.162 58.560 1.00 1.00 ATOM 155 CA LEU 152 31.403 18.770 54.861 1.00 1.00 ATOM 170 CA GLU 153 27.118 21.296 39.837 1.00 1.00 ATOM 171 CA GLU 154 26.286 20.926 43.533 1.00 1.00 ATOM 172 CA ILE 155 29.918 21.197 44.548 1.00 1.00 ATOM 173 CA ILE 156 30.350 24.576 42.857 1.00 1.00 ATOM 174 CA GLU 157 26.972 25.872 44.070 1.00 1.00 ATOM 175 CA TYR 158 27.690 24.989 47.681 1.00 1.00 ATOM 176 CA VAL 159 31.289 26.148 47.840 1.00 1.00 ATOM 177 CA ARG 160 30.483 29.443 46.108 1.00 1.00 ATOM 178 CA THR 161 27.141 30.076 47.858 1.00 1.00 ATOM 180 CA ILE 162 31.559 30.368 52.657 1.00 1.00 ATOM 181 CA ALA 163 31.336 27.981 55.585 1.00 1.00 ATOM 182 CA MET 164 31.590 25.139 53.045 1.00 1.00 ATOM 183 CA LEU 165 34.455 26.871 51.220 1.00 1.00 ATOM 184 CA PHE 166 36.390 27.098 54.486 1.00 1.00 ATOM 185 CA TYR 167 35.931 23.349 55.183 1.00 1.00 ATOM 186 CA SER 168 37.147 22.141 51.737 1.00 1.00 ATOM 187 CA HIS 169 40.005 24.704 51.677 1.00 1.00 ATOM 188 CA PHE 170 43.151 22.889 50.558 1.00 1.00 ATOM 189 CA ASN 171 45.930 25.556 50.494 1.00 1.00 ATOM 190 CA GLU 172 48.197 24.760 53.498 1.00 1.00 ATOM 191 CA GLY 173 48.738 28.435 54.445 1.00 1.00 ATOM 194 CA GLU 174 46.739 27.681 59.089 1.00 1.00 ATOM 195 CA ILE 175 45.854 31.383 58.937 1.00 1.00 ATOM 196 CA GLU 176 42.165 30.671 59.676 1.00 1.00 ATOM 197 CA SER 177 42.890 29.841 63.304 1.00 1.00 ATOM 198 CA LYS 178 45.526 32.350 64.508 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:01:08 2002 Date: Tue, 28 May 2002 18:01:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:35:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_467699_10054 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_5 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1E6I_A # Loading PARENT structure: 1e6i (chain: A) # Number of residues in PARENT structure: 111 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue E 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 104 # Total number of atoms in model: 104 # Number of atoms with 1.0 occupancy: 104 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 104 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1E6I_A ATOM 329 CA GLY 34 8.169 37.870 20.557 1.00 1.00 ATOM 330 CA GLY 35 5.375 35.860 18.951 1.00 1.00 ATOM 331 CA LEU 36 4.424 32.740 20.940 1.00 1.00 ATOM 332 CA LYS 37 5.730 30.542 18.085 1.00 1.00 ATOM 333 CA ASP 38 8.392 32.801 16.536 1.00 1.00 ATOM 334 CA GLN 39 11.417 31.173 18.184 1.00 1.00 ATOM 335 CA SER 40 10.295 27.624 17.549 1.00 1.00 ATOM 336 CA TRP 41 9.493 28.413 13.904 1.00 1.00 ATOM 337 CA LEU 42 12.856 30.197 13.305 1.00 1.00 ATOM 338 CA PRO 43 14.749 27.254 14.810 1.00 1.00 ATOM 339 CA LEU 44 12.902 24.677 12.687 1.00 1.00 ATOM 340 CA LEU 45 13.249 26.757 9.533 1.00 1.00 ATOM 341 CA TYR 46 16.994 27.227 10.082 1.00 1.00 ATOM 342 CA GLN 47 17.398 23.433 10.472 1.00 1.00 ATOM 343 CA PHE 48 15.345 22.776 7.327 1.00 1.00 ATOM 344 CA SER 49 17.453 25.215 5.335 1.00 1.00 ATOM 345 CA ASN 50 20.665 23.581 6.657 1.00 1.00 ATOM 346 CA ASP 51 19.444 20.076 5.785 1.00 1.00 ATOM 347 CA ASN 52 21.200 17.890 3.214 1.00 1.00 ATOM 348 CA HIS 53 17.892 17.397 1.394 1.00 1.00 ATOM 349 CA ALA 54 16.889 21.088 1.363 1.00 1.00 ATOM 350 CA TYR 55 18.776 22.311 -1.718 1.00 1.00 ATOM 351 CA PRO 56 15.883 21.885 -4.255 1.00 1.00 ATOM 352 CA THR 57 13.522 23.822 -1.959 1.00 1.00 ATOM 353 CA GLY 58 15.660 26.828 -0.879 1.00 1.00 ATOM 354 CA LEU 59 14.196 29.159 -3.494 1.00 1.00 ATOM 355 CA ASP 76 11.139 29.276 -5.739 1.00 1.00 ATOM 356 CA VAL 77 11.175 27.072 -8.774 1.00 1.00 ATOM 357 CA GLU 88 12.594 28.984 -11.729 1.00 1.00 ATOM 358 CA ASP 89 10.018 29.167 -14.548 1.00 1.00 ATOM 359 CA GLU 90 12.698 29.482 -17.235 1.00 1.00 ATOM 360 CA ASN 91 14.282 26.215 -16.073 1.00 1.00 ATOM 361 CA VAL 92 10.922 24.480 -15.522 1.00 1.00 ATOM 362 CA PHE 93 8.544 26.182 -17.977 1.00 1.00 ATOM 363 CA THR 94 5.295 24.347 -17.077 1.00 1.00 ATOM 364 CA GLN 95 5.771 24.221 -13.282 1.00 1.00 ATOM 365 CA ALA 96 3.218 26.950 -12.441 1.00 1.00 ATOM 366 CA ASP 97 0.723 25.468 -14.880 1.00 1.00 ATOM 367 CA SER 98 0.411 22.613 -12.421 1.00 1.00 ATOM 368 CA LEU 99 1.394 23.931 -9.004 1.00 1.00 ATOM 369 CA SER 100 -1.183 26.510 -7.887 1.00 1.00 ATOM 370 CA LEU 108 0.067 27.095 -4.316 1.00 1.00 ATOM 371 CA GLY 109 3.829 27.193 -4.768 1.00 1.00 ATOM 372 CA ILE 110 6.044 27.328 -1.715 1.00 1.00 ATOM 373 CA GLY 111 9.765 27.211 -0.857 1.00 1.00 ATOM 374 CA LEU 112 11.938 27.880 2.168 1.00 1.00 ATOM 375 CA ALA 113 12.885 31.453 1.214 1.00 1.00 ATOM 376 CA GLN 114 9.195 32.280 1.004 1.00 1.00 ATOM 377 CA PRO 115 8.667 30.686 4.420 1.00 1.00 ATOM 378 CA GLU 116 11.550 32.747 5.835 1.00 1.00 ATOM 379 CA LEU 117 10.045 35.928 4.371 1.00 1.00 ATOM 380 CA ALA 118 6.605 35.063 5.764 1.00 1.00 ATOM 381 CA LYS 119 8.153 34.410 9.197 1.00 1.00 ATOM 382 CA GLU 120 9.990 37.792 9.164 1.00 1.00 ATOM 383 CA LYS 121 6.840 39.563 7.888 1.00 1.00 ATOM 387 CA GLY 122 0.721 33.683 14.076 1.00 1.00 ATOM 388 CA GLU 123 -0.486 30.102 14.130 1.00 1.00 ATOM 389 CA ILE 124 1.998 27.243 14.004 1.00 1.00 ATOM 390 CA GLY 125 -0.588 25.563 11.723 1.00 1.00 ATOM 391 CA GLU 126 0.168 28.077 8.948 1.00 1.00 ATOM 392 CA ALA 127 3.884 27.244 9.015 1.00 1.00 ATOM 393 CA VAL 128 3.192 23.526 8.974 1.00 1.00 ATOM 394 CA ASP 129 0.807 24.040 6.051 1.00 1.00 ATOM 395 CA ASP 130 3.499 25.837 4.085 1.00 1.00 ATOM 396 CA LEU 131 6.129 23.160 4.865 1.00 1.00 ATOM 397 CA GLN 132 3.646 20.586 3.587 1.00 1.00 ATOM 401 CA ASP 133 3.513 17.720 -1.376 1.00 1.00 ATOM 402 CA ILE 134 3.903 20.039 -4.347 1.00 1.00 ATOM 403 CA CYS 135 7.206 18.258 -4.999 1.00 1.00 ATOM 404 CA GLN 136 5.676 14.776 -4.958 1.00 1.00 ATOM 405 CA LEU 137 2.774 16.028 -7.054 1.00 1.00 ATOM 406 CA GLY 138 4.974 17.415 -9.879 1.00 1.00 ATOM 407 CA TYR 139 7.887 14.963 -9.899 1.00 1.00 ATOM 408 CA ASP 140 7.960 11.232 -10.625 1.00 1.00 ATOM 409 CA GLU 141 8.169 8.814 -7.697 1.00 1.00 ATOM 410 CA ASP 142 11.542 7.571 -9.058 1.00 1.00 ATOM 411 CA ASP 143 13.225 10.997 -9.217 1.00 1.00 ATOM 412 CA ASN 144 15.779 12.477 -6.835 1.00 1.00 ATOM 413 CA GLU 145 13.320 15.328 -6.028 1.00 1.00 ATOM 414 CA GLU 146 10.733 12.890 -4.744 1.00 1.00 ATOM 415 CA GLU 147 13.423 11.287 -2.558 1.00 1.00 ATOM 416 CA LEU 148 14.542 14.678 -1.189 1.00 1.00 ATOM 417 CA ALA 149 10.912 15.604 -0.388 1.00 1.00 ATOM 418 CA GLU 150 10.419 12.385 1.566 1.00 1.00 ATOM 419 CA ALA 151 13.661 12.829 3.479 1.00 1.00 ATOM 420 CA LEU 152 13.051 16.488 4.327 1.00 1.00 ATOM 421 CA GLU 153 9.507 15.701 5.443 1.00 1.00 ATOM 422 CA GLU 154 10.595 12.869 7.751 1.00 1.00 ATOM 423 CA ILE 155 13.100 15.288 9.268 1.00 1.00 ATOM 424 CA ILE 156 10.513 18.046 9.593 1.00 1.00 ATOM 425 CA GLU 157 7.992 15.713 11.262 1.00 1.00 ATOM 426 CA TYR 158 10.575 14.632 13.854 1.00 1.00 ATOM 427 CA PHE 170 11.709 18.200 14.591 1.00 1.00 ATOM 428 CA ASN 171 8.152 19.423 15.223 1.00 1.00 ATOM 429 CA GLU 172 6.857 16.303 16.970 1.00 1.00 ATOM 430 CA GLY 173 9.697 16.489 19.515 1.00 1.00 ATOM 431 CA GLU 174 8.379 19.806 20.854 1.00 1.00 ATOM 432 CA ILE 175 5.563 18.704 23.177 1.00 1.00 ATOM 433 CA GLU 176 3.422 21.820 22.500 1.00 1.00 ATOM 434 CA SER 177 3.204 20.954 18.779 1.00 1.00 ATOM 435 CA LYS 178 3.126 17.139 18.900 1.00 1.00 ATOM 436 CA PRO 179 -0.664 17.188 18.309 1.00 1.00 ATOM 437 CA VAL 180 -0.028 18.690 14.833 1.00 1.00 ATOM 438 CA LEU 181 2.060 15.795 13.458 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:01:19 2002 Date: Tue, 28 May 2002 18:01:14 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:35:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_470038_10055 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_3 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1D9C_A # Loading PARENT structure: 1d9c (chain: A) # Number of residues in PARENT structure: 121 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue L 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 118 # Total number of atoms in model: 118 # Number of atoms with 1.0 occupancy: 118 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 118 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1D9C_A ATOM 1 CA MET 1 72.618 -10.218 33.936 1.00 1.00 ATOM 2 CA LEU 2 72.751 -14.044 34.253 1.00 1.00 ATOM 3 CA ILE 3 73.678 -14.074 37.962 1.00 1.00 ATOM 4 CA SER 4 70.952 -11.470 38.512 1.00 1.00 ATOM 5 CA HIS 5 68.148 -13.337 36.758 1.00 1.00 ATOM 6 CA SER 6 69.141 -16.550 38.593 1.00 1.00 ATOM 7 CA ASP 7 68.881 -14.678 41.899 1.00 1.00 ATOM 8 CA LEU 8 65.476 -13.149 41.300 1.00 1.00 ATOM 9 CA ASN 9 64.194 -16.619 40.369 1.00 1.00 ATOM 10 CA GLN 10 65.698 -18.012 43.576 1.00 1.00 ATOM 11 CA GLN 11 63.730 -15.362 45.555 1.00 1.00 ATOM 12 CA LEU 12 60.522 -15.932 43.488 1.00 1.00 ATOM 13 CA LYS 13 60.817 -19.627 44.297 1.00 1.00 ATOM 14 CA SER 14 61.322 -19.097 48.057 1.00 1.00 ATOM 15 CA ALA 15 58.333 -16.771 48.402 1.00 1.00 ATOM 16 CA GLY 16 56.158 -18.483 45.725 1.00 1.00 ATOM 17 CA ILE 17 56.000 -15.137 43.866 1.00 1.00 ATOM 18 CA PHE 19 55.383 -16.235 40.263 1.00 1.00 ATOM 19 CA ASN 20 51.892 -17.602 41.024 1.00 1.00 ATOM 20 CA ALA 21 48.626 -15.834 40.028 1.00 1.00 ATOM 21 CA GLY 30 47.608 -15.332 43.670 1.00 1.00 ATOM 22 CA LEU 31 50.210 -12.524 43.689 1.00 1.00 ATOM 23 CA LEU 32 48.591 -10.174 41.147 1.00 1.00 ATOM 24 CA CYS 33 45.612 -10.341 43.542 1.00 1.00 ATOM 25 CA GLY 34 45.284 -6.961 45.229 1.00 1.00 ATOM 26 CA GLY 35 46.825 -4.466 42.811 1.00 1.00 ATOM 28 CA SER 40 52.840 -2.434 44.706 1.00 1.00 ATOM 29 CA TRP 41 55.389 -0.415 42.798 1.00 1.00 ATOM 30 CA LEU 42 54.692 -0.992 39.072 1.00 1.00 ATOM 31 CA PRO 43 52.001 1.643 38.731 1.00 1.00 ATOM 32 CA LEU 44 54.074 4.298 40.546 1.00 1.00 ATOM 33 CA LEU 45 57.129 3.393 38.442 1.00 1.00 ATOM 34 CA TYR 46 55.124 4.251 35.288 1.00 1.00 ATOM 35 CA GLN 47 53.761 7.503 36.754 1.00 1.00 ATOM 36 CA PHE 48 57.363 8.666 37.284 1.00 1.00 ATOM 37 CA SER 49 59.122 6.984 34.350 1.00 1.00 ATOM 38 CA ASN 50 60.107 10.300 32.765 1.00 1.00 ATOM 39 CA ASP 51 59.981 12.563 35.850 1.00 1.00 ATOM 40 CA ASN 52 63.208 14.475 36.443 1.00 1.00 ATOM 41 CA HIS 53 62.732 13.905 40.197 1.00 1.00 ATOM 42 CA PRO 56 62.053 10.113 40.044 1.00 1.00 ATOM 43 CA THR 57 64.926 9.445 42.483 1.00 1.00 ATOM 44 CA GLY 58 62.498 10.650 45.173 1.00 1.00 ATOM 45 CA LEU 59 60.339 7.599 44.448 1.00 1.00 ATOM 46 CA VAL 60 63.217 5.236 43.685 1.00 1.00 ATOM 47 CA THR 64 64.691 6.104 47.077 1.00 1.00 ATOM 48 CA GLU 65 61.553 4.822 48.845 1.00 1.00 ATOM 49 CA LEU 66 61.409 1.698 46.699 1.00 1.00 ATOM 50 CA TYR 67 65.086 0.896 47.242 1.00 1.00 ATOM 51 CA GLU 68 64.827 1.515 50.992 1.00 1.00 ATOM 52 CA GLN 69 61.883 -0.869 51.112 1.00 1.00 ATOM 53 CA ILE 70 63.986 -3.709 49.592 1.00 1.00 ATOM 54 CA SER 71 66.880 -2.976 51.903 1.00 1.00 ATOM 55 CA GLN 72 64.634 -3.159 54.939 1.00 1.00 ATOM 56 CA THR 73 62.933 -6.301 53.623 1.00 1.00 ATOM 57 CA LEU 74 66.215 -8.032 52.957 1.00 1.00 ATOM 58 CA SER 75 67.616 -6.923 56.298 1.00 1.00 ATOM 59 CA ASP 76 64.790 -8.632 58.106 1.00 1.00 ATOM 60 CA VAL 77 65.074 -11.819 56.041 1.00 1.00 ATOM 61 CA GLU 78 68.856 -11.803 56.663 1.00 1.00 ATOM 62 CA ASP 89 68.852 -15.205 58.419 1.00 1.00 ATOM 63 CA GLU 90 67.096 -17.200 55.685 1.00 1.00 ATOM 64 CA ASN 91 70.172 -19.071 54.498 1.00 1.00 ATOM 65 CA VAL 92 68.432 -20.123 51.286 1.00 1.00 ATOM 66 CA PHE 93 68.067 -16.575 49.974 1.00 1.00 ATOM 67 CA THR 94 70.895 -14.806 51.765 1.00 1.00 ATOM 68 CA GLN 95 73.225 -14.674 48.764 1.00 1.00 ATOM 69 CA ALA 96 70.346 -13.731 46.407 1.00 1.00 ATOM 70 CA ASP 97 69.627 -10.724 48.592 1.00 1.00 ATOM 71 CA SER 98 73.358 -9.860 48.786 1.00 1.00 ATOM 72 CA LEU 99 73.607 -9.948 44.977 1.00 1.00 ATOM 75 CA SER 100 74.997 -4.997 45.597 1.00 1.00 ATOM 76 CA ASP 101 73.419 -4.332 42.212 1.00 1.00 ATOM 77 CA TRP 102 71.021 -1.715 43.590 1.00 1.00 ATOM 78 CA ALA 103 74.034 -0.138 45.253 1.00 1.00 ATOM 79 CA ASN 104 75.974 0.067 41.993 1.00 1.00 ATOM 80 CA GLN 105 73.118 1.412 39.872 1.00 1.00 ATOM 81 CA PHE 106 71.316 3.669 42.346 1.00 1.00 ATOM 82 CA LEU 107 74.089 4.837 44.652 1.00 1.00 ATOM 83 CA LEU 108 76.879 4.785 41.973 1.00 1.00 ATOM 84 CA GLY 109 78.847 2.246 43.982 1.00 1.00 ATOM 85 CA ILE 124 79.655 5.062 46.429 1.00 1.00 ATOM 86 CA GLY 125 80.314 3.415 49.765 1.00 1.00 ATOM 87 CA GLU 126 79.896 6.695 51.704 1.00 1.00 ATOM 88 CA ALA 127 76.488 7.196 50.072 1.00 1.00 ATOM 89 CA VAL 128 75.545 3.662 51.080 1.00 1.00 ATOM 90 CA ASP 129 76.489 4.174 54.730 1.00 1.00 ATOM 91 CA ASP 130 74.317 7.346 54.775 1.00 1.00 ATOM 92 CA LEU 131 71.414 5.639 53.039 1.00 1.00 ATOM 93 CA GLN 132 71.517 2.692 55.439 1.00 1.00 ATOM 94 CA ASP 133 71.659 4.976 58.429 1.00 1.00 ATOM 95 CA ILE 134 68.646 6.995 57.302 1.00 1.00 ATOM 96 CA CYS 135 66.378 4.040 56.478 1.00 1.00 ATOM 97 CA GLN 136 66.974 2.476 59.879 1.00 1.00 ATOM 98 CA LEU 137 65.929 5.470 62.003 1.00 1.00 ATOM 99 CA GLY 138 62.973 4.751 64.344 1.00 1.00 ATOM 100 CA TYR 139 60.154 7.312 64.599 1.00 1.00 ATOM 101 CA ASP 140 59.009 6.185 68.037 1.00 1.00 ATOM 102 CA GLU 141 62.189 6.954 69.979 1.00 1.00 ATOM 103 CA GLU 145 61.910 10.209 72.010 1.00 1.00 ATOM 104 CA GLU 146 65.623 11.035 71.995 1.00 1.00 ATOM 105 CA GLU 147 65.545 10.684 68.194 1.00 1.00 ATOM 106 CA LEU 148 62.362 12.816 67.918 1.00 1.00 ATOM 107 CA ALA 149 64.065 15.676 69.793 1.00 1.00 ATOM 108 CA GLU 150 67.129 15.567 67.569 1.00 1.00 ATOM 109 CA ALA 151 64.904 15.611 64.488 1.00 1.00 ATOM 110 CA LEU 152 62.909 18.586 65.720 1.00 1.00 ATOM 111 CA GLU 153 66.154 20.189 66.747 1.00 1.00 ATOM 112 CA GLU 154 67.519 19.859 63.204 1.00 1.00 ATOM 113 CA ILE 155 64.429 20.978 61.331 1.00 1.00 ATOM 114 CA ILE 156 65.821 24.396 60.466 1.00 1.00 ATOM 115 CA GLU 157 68.811 22.828 58.748 1.00 1.00 ATOM 116 CA TYR 158 66.565 20.300 56.964 1.00 1.00 ATOM 117 CA VAL 159 64.165 22.957 55.730 1.00 1.00 ATOM 118 CA ARG 160 66.994 25.154 54.348 1.00 1.00 ATOM 119 CA THR 161 68.336 22.224 52.339 1.00 1.00 ATOM 120 CA LEU 181 64.920 21.734 50.780 1.00 1.00 ATOM 121 CA HIS 182 64.690 25.450 49.870 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:01:30 2002 Date: Tue, 28 May 2002 18:01:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 AL samt02.fal 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:35:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_464763_10056 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129AL189_3 Current information on models submitted in prediction T0129AL189 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 AL PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1d9cA # Reading prediction format AL (DONE) # Converting alignments into a 3D structure # Loading structure PDB: 1d9c (chain: A) # Converting alignments into a 3D structure (DONE) # Checking the AL prediction MODEL 3 # Checking the AL prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 118 # Total number of atoms in model: 472 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1d9cA M 1 Q 1 L 2 G 2 I 3 Q 3 S 4 F 4 H 5 F 5 S 6 R 6 D 7 E 7 L 8 I 8 N 9 E 9 Q 10 N 10 Q 11 L 11 L 12 K 12 K 13 E 13 S 14 Y 14 A 15 F 15 G 16 N 16 I 17 A 17 F 19 S 18 N 20 S 19 A 21 P 20 G 30 D 21 L 31 V 22 L 32 A 23 C 33 K 24 G 34 G 25 G 35 G 26 S 40 L 28 W 41 F 29 L 42 S 30 P 43 E 31 L 44 I 32 L 45 L 33 Y 46 K 34 Q 47 N 35 F 48 W 36 S 49 K 37 N 50 D 38 D 51 E 39 N 52 S 40 H 53 D 41 P 56 K 42 T 57 K 43 G 58 I 44 L 59 I 45 V 60 Q 46 T 64 S 47 E 65 Q 48 L 66 I 49 Y 67 V 50 E 68 S 51 Q 69 F 52 I 70 Y 53 S 71 F 54 Q 72 K 55 T 73 L 56 L 74 F 57 S 75 E 58 D 76 N 59 V 77 L 60 E 78 K 61 D 89 D 62 E 90 N 63 N 91 Q 64 V 92 V 65 F 93 I 66 T 94 Q 67 Q 95 R 68 A 96 S 69 D 97 M 70 S 98 D 71 L 99 I 72 S 100 Q 75 D 101 D 76 W 102 M 77 A 103 F 78 N 104 Q 79 Q 105 K 80 F 106 F 81 L 107 L 82 L 108 N 83 G 109 G 84 I 124 S 85 G 125 S 86 E 126 E 87 A 127 K 88 V 128 L 89 D 129 E 90 D 130 D 91 L 131 F 92 Q 132 K 93 D 133 K 94 I 134 L 95 C 135 I 96 Q 136 Q 97 L 137 I 98 G 138 P 99 Y 139 V 100 D 140 D 101 E 141 D 102 E 145 L 103 E 146 Q 104 E 147 I 105 L 148 Q 106 A 149 R 107 E 150 K 108 A 151 A 109 L 152 I 110 E 153 N 111 E 154 E 112 I 155 L 113 I 156 I 114 E 157 K 115 Y 158 V 116 V 159 M 117 R 160 N 118 T 161 D 119 L 181 L 120 H 182 S 121 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:01:40 2002 Date: Tue, 28 May 2002 18:01:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:35:42 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_475152_10057 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_4 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1F1M_A # Loading PARENT structure: 1f1m (chain: A) # Number of residues in PARENT structure: 162 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue M 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 167 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 154 # Total number of atoms in model: 154 # Number of atoms with 1.0 occupancy: 154 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 154 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1F1M_A ATOM 40 CA ILE 3 -0.495 17.900 -25.621 1.00 1.00 ATOM 41 CA SER 4 2.945 19.522 -25.548 1.00 1.00 ATOM 42 CA HIS 5 5.278 16.522 -25.607 1.00 1.00 ATOM 43 CA SER 6 8.161 18.754 -24.502 1.00 1.00 ATOM 44 CA ASP 7 6.585 19.829 -21.211 1.00 1.00 ATOM 45 CA LEU 8 5.216 16.354 -20.487 1.00 1.00 ATOM 46 CA ASN 9 8.470 14.509 -21.173 1.00 1.00 ATOM 47 CA GLN 10 10.213 16.974 -18.852 1.00 1.00 ATOM 48 CA GLN 11 7.686 16.431 -16.065 1.00 1.00 ATOM 49 CA LEU 12 7.882 12.657 -16.481 1.00 1.00 ATOM 50 CA LYS 13 11.679 12.707 -16.167 1.00 1.00 ATOM 51 CA SER 14 11.530 14.991 -13.132 1.00 1.00 ATOM 52 CA ALA 15 8.710 13.058 -11.458 1.00 1.00 ATOM 54 CA GLY 16 13.632 11.106 -10.422 1.00 1.00 ATOM 55 CA ILE 17 11.562 12.035 -7.369 1.00 1.00 ATOM 56 CA GLY 18 9.964 8.590 -7.157 1.00 1.00 ATOM 57 CA PHE 19 13.418 6.975 -7.350 1.00 1.00 ATOM 58 CA ASN 20 14.742 9.267 -4.629 1.00 1.00 ATOM 59 CA ALA 21 11.832 8.337 -2.340 1.00 1.00 ATOM 60 CA THR 22 12.388 4.656 -3.179 1.00 1.00 ATOM 61 CA GLU 23 15.917 4.911 -1.752 1.00 1.00 ATOM 62 CA LEU 24 14.464 6.175 1.501 1.00 1.00 ATOM 63 CA HIS 25 11.787 3.476 1.517 1.00 1.00 ATOM 64 CA GLY 26 14.317 0.731 0.853 1.00 1.00 ATOM 65 CA PHE 27 16.636 1.938 3.602 1.00 1.00 ATOM 66 CA LEU 28 13.723 1.541 6.022 1.00 1.00 ATOM 67 CA SER 29 13.270 -1.954 4.616 1.00 1.00 ATOM 68 CA GLY 30 16.927 -2.744 5.345 1.00 1.00 ATOM 69 CA LEU 31 16.448 -1.825 9.001 1.00 1.00 ATOM 72 CA LEU 32 18.389 -6.005 10.562 1.00 1.00 ATOM 73 CA CYS 33 15.686 -6.383 13.201 1.00 1.00 ATOM 74 CA GLY 34 15.221 -10.005 12.103 1.00 1.00 ATOM 75 CA GLY 35 18.912 -10.611 12.848 1.00 1.00 ATOM 81 CA LEU 36 25.601 -20.879 11.070 1.00 1.00 ATOM 82 CA LYS 37 26.371 -23.144 8.107 1.00 1.00 ATOM 83 CA ASP 38 22.720 -22.976 6.950 1.00 1.00 ATOM 84 CA GLN 39 20.085 -20.844 5.198 1.00 1.00 ATOM 85 CA SER 40 18.617 -20.234 8.658 1.00 1.00 ATOM 86 CA SER 49 20.432 -18.341 11.429 1.00 1.00 ATOM 87 CA ASN 50 21.435 -19.748 14.826 1.00 1.00 ATOM 88 CA ASP 51 20.866 -18.254 18.289 1.00 1.00 ATOM 89 CA ASN 52 23.273 -15.919 20.090 1.00 1.00 ATOM 90 CA HIS 53 21.410 -13.609 22.445 1.00 1.00 ATOM 91 CA ALA 54 22.242 -10.180 23.843 1.00 1.00 ATOM 92 CA TYR 55 25.181 -9.122 21.632 1.00 1.00 ATOM 93 CA PRO 56 23.280 -6.778 19.333 1.00 1.00 ATOM 94 CA THR 57 25.499 -3.719 19.726 1.00 1.00 ATOM 95 CA GLY 58 27.236 -3.827 16.325 1.00 1.00 ATOM 96 CA LEU 59 23.902 -4.580 14.645 1.00 1.00 ATOM 97 CA VAL 60 22.355 -1.552 16.401 1.00 1.00 ATOM 98 CA GLN 61 25.303 0.621 15.372 1.00 1.00 ATOM 99 CA PRO 62 24.589 -0.413 11.790 1.00 1.00 ATOM 100 CA VAL 63 20.920 0.522 12.119 1.00 1.00 ATOM 101 CA THR 64 21.978 3.858 13.608 1.00 1.00 ATOM 102 CA GLU 65 24.210 4.696 10.630 1.00 1.00 ATOM 103 CA LEU 66 21.413 3.799 8.234 1.00 1.00 ATOM 104 CA TYR 67 19.092 6.127 10.163 1.00 1.00 ATOM 105 CA GLU 68 21.505 9.003 9.576 1.00 1.00 ATOM 106 CA GLN 69 21.757 8.091 5.883 1.00 1.00 ATOM 107 CA ILE 70 17.949 8.122 5.650 1.00 1.00 ATOM 108 CA SER 71 17.776 11.773 6.742 1.00 1.00 ATOM 109 CA GLN 72 20.411 12.677 4.165 1.00 1.00 ATOM 110 CA THR 73 18.478 10.870 1.424 1.00 1.00 ATOM 111 CA LEU 74 15.227 12.639 2.355 1.00 1.00 ATOM 112 CA SER 75 17.051 15.959 1.974 1.00 1.00 ATOM 113 CA ASP 76 18.289 14.793 -1.441 1.00 1.00 ATOM 114 CA VAL 77 14.772 14.718 -2.893 1.00 1.00 ATOM 115 CA GLU 78 14.346 17.559 -5.396 1.00 1.00 ATOM 116 CA GLU 88 11.772 20.033 -4.101 1.00 1.00 ATOM 117 CA ASP 89 9.015 21.955 -5.875 1.00 1.00 ATOM 118 CA GLU 90 6.609 22.668 -3.042 1.00 1.00 ATOM 119 CA ASN 91 4.095 20.060 -4.188 1.00 1.00 ATOM 120 CA VAL 92 5.680 17.541 -1.795 1.00 1.00 ATOM 121 CA PHE 93 7.001 20.054 0.738 1.00 1.00 ATOM 122 CA THR 94 4.600 18.941 3.485 1.00 1.00 ATOM 123 CA GLN 95 5.323 15.224 3.019 1.00 1.00 ATOM 124 CA ALA 96 9.085 15.707 2.774 1.00 1.00 ATOM 125 CA ASP 97 9.247 17.865 5.910 1.00 1.00 ATOM 126 CA SER 98 7.219 15.372 7.953 1.00 1.00 ATOM 127 CA LEU 99 9.380 12.445 6.863 1.00 1.00 ATOM 128 CA SER 100 12.551 14.403 7.620 1.00 1.00 ATOM 129 CA ASP 101 11.589 15.465 11.150 1.00 1.00 ATOM 130 CA TRP 102 10.489 11.931 11.968 1.00 1.00 ATOM 131 CA ALA 103 13.766 10.536 10.623 1.00 1.00 ATOM 132 CA ASN 104 15.640 12.995 12.849 1.00 1.00 ATOM 133 CA GLN 105 13.492 11.991 15.838 1.00 1.00 ATOM 134 CA PHE 106 14.296 8.313 15.265 1.00 1.00 ATOM 135 CA LEU 107 18.055 8.958 15.168 1.00 1.00 ATOM 136 CA LEU 108 17.791 11.190 18.242 1.00 1.00 ATOM 137 CA GLY 109 15.928 8.462 20.122 1.00 1.00 ATOM 138 CA ILE 110 18.574 5.849 19.323 1.00 1.00 ATOM 139 CA GLY 111 21.300 8.234 20.512 1.00 1.00 ATOM 140 CA LEU 112 19.454 9.025 23.720 1.00 1.00 ATOM 141 CA ALA 113 19.199 5.318 24.560 1.00 1.00 ATOM 142 CA GLN 114 22.908 4.625 24.167 1.00 1.00 ATOM 143 CA PRO 115 23.057 3.402 27.779 1.00 1.00 ATOM 144 CA GLU 116 21.283 0.230 26.643 1.00 1.00 ATOM 145 CA LEU 117 22.063 0.414 22.920 1.00 1.00 ATOM 146 CA ALA 118 25.643 1.697 23.003 1.00 1.00 ATOM 147 CA LYS 119 27.766 -1.335 23.885 1.00 1.00 ATOM 148 CA GLU 120 28.409 -4.764 22.412 1.00 1.00 ATOM 149 CA LYS 121 26.123 -6.508 24.898 1.00 1.00 ATOM 150 CA GLY 122 22.806 -5.007 23.758 1.00 1.00 ATOM 151 CA GLU 123 20.083 -7.421 24.923 1.00 1.00 ATOM 152 CA ILE 124 17.651 -8.900 22.412 1.00 1.00 ATOM 153 CA GLY 125 14.802 -7.197 24.279 1.00 1.00 ATOM 154 CA GLU 126 16.278 -3.679 24.186 1.00 1.00 ATOM 155 CA ALA 127 17.299 -4.080 20.539 1.00 1.00 ATOM 156 CA VAL 128 13.666 -4.890 19.726 1.00 1.00 ATOM 157 CA GLN 132 12.377 -1.796 21.535 1.00 1.00 ATOM 158 CA ASP 133 14.636 0.183 19.217 1.00 1.00 ATOM 159 CA ILE 134 14.186 -1.282 15.722 1.00 1.00 ATOM 160 CA CYS 135 11.411 -3.916 15.759 1.00 1.00 ATOM 161 CA GLN 136 8.201 -2.127 14.721 1.00 1.00 ATOM 162 CA LEU 137 6.003 -5.091 15.686 1.00 1.00 ATOM 163 CA GLY 138 7.338 -5.142 19.242 1.00 1.00 ATOM 164 CA TYR 139 4.909 -4.353 22.068 1.00 1.00 ATOM 165 CA ASP 140 7.444 -2.157 23.879 1.00 1.00 ATOM 166 CA GLU 141 8.648 0.473 21.377 1.00 1.00 ATOM 167 CA ASP 142 10.225 2.868 23.882 1.00 1.00 ATOM 168 CA ASP 143 13.806 2.896 22.586 1.00 1.00 ATOM 169 CA ASN 144 13.268 3.999 18.993 1.00 1.00 ATOM 170 CA GLU 145 10.786 1.514 17.541 1.00 1.00 ATOM 171 CA GLU 146 7.963 4.004 18.069 1.00 1.00 ATOM 172 CA GLU 147 9.763 6.646 16.002 1.00 1.00 ATOM 173 CA LEU 148 10.669 4.052 13.358 1.00 1.00 ATOM 174 CA ALA 149 7.019 3.047 12.989 1.00 1.00 ATOM 175 CA GLU 150 5.936 6.661 12.521 1.00 1.00 ATOM 176 CA ALA 151 8.810 7.248 10.111 1.00 1.00 ATOM 177 CA LEU 152 7.528 4.282 8.109 1.00 1.00 ATOM 178 CA GLU 153 4.084 5.881 7.776 1.00 1.00 ATOM 179 CA GLU 154 5.457 9.301 6.793 1.00 1.00 ATOM 180 CA ILE 155 7.614 7.819 4.059 1.00 1.00 ATOM 181 CA ILE 156 4.657 5.688 2.993 1.00 1.00 ATOM 182 CA GLU 157 2.527 8.819 2.560 1.00 1.00 ATOM 183 CA TYR 158 5.388 10.542 0.747 1.00 1.00 ATOM 184 CA VAL 159 5.730 7.600 -1.680 1.00 1.00 ATOM 185 CA ARG 160 2.019 7.629 -2.544 1.00 1.00 ATOM 186 CA THR 161 2.079 11.362 -3.308 1.00 1.00 ATOM 187 CA ILE 162 5.253 10.983 -5.367 1.00 1.00 ATOM 188 CA ALA 163 3.913 8.024 -7.356 1.00 1.00 ATOM 189 CA MET 164 0.704 10.007 -7.820 1.00 1.00 ATOM 190 CA LEU 165 2.567 12.842 -9.551 1.00 1.00 ATOM 191 CA PHE 166 4.363 10.366 -11.808 1.00 1.00 ATOM 192 CA TYR 167 1.281 8.423 -12.884 1.00 1.00 ATOM 193 CA SER 168 -0.618 11.673 -13.508 1.00 1.00 ATOM 194 CA HIS 169 2.246 12.978 -15.643 1.00 1.00 ATOM 195 CA PHE 170 2.237 9.841 -17.787 1.00 1.00 ATOM 196 CA ASN 171 -1.528 9.612 -18.353 1.00 1.00 ATOM 197 CA GLU 172 -1.322 13.132 -19.819 1.00 1.00 ATOM 198 CA GLY 173 0.031 11.490 -22.978 1.00 1.00 ATOM 199 CA VAL 180 -3.152 9.558 -23.727 1.00 1.00 ATOM 200 CA LEU 181 -5.635 11.773 -21.867 1.00 1.00 ATOM 201 CA HIS 182 -8.507 12.267 -22.318 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:02:08 2002 Date: Tue, 28 May 2002 18:02:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 AL samt02.fal 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:36:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_472913_10058 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129AL189_1 Current information on models submitted in prediction T0129AL189 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_1 PIN_472913_10058 5035-2079-5263 05/28/02 17:36:06 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_1 PIN_472913_10058 5035-2079-5263 05/28/02 17:36:06 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 AL PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1iapA # Reading prediction format AL (DONE) # Converting alignments into a 3D structure # Loading structure PDB: 1iap (chain: A) # Converting alignments into a 3D structure (DONE) # Checking the AL prediction MODEL 1 # Checking the AL prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 151 # Total number of atoms in model: 604 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1iapA I 3 S 44 S 4 Q 45 H 5 F 46 S 6 Q 47 D 7 S 48 L 8 L 49 N 9 E 50 Q 10 Q 51 Q 11 L 62 L 12 L 63 K 13 Q 64 S 14 H 65 A 15 V 66 G 16 A 67 I 17 L 68 G 18 Q 69 F 19 F 70 N 20 E 71 A 21 P 72 T 22 G 73 E 23 P 74 L 24 L 75 H 25 L 76 G 26 C 77 F 27 C 78 L 28 L 79 S 29 H 80 G 30 A 81 L 31 D 82 L 32 M 83 C 33 L 84 G 34 G 85 G 35 S 86 L 36 L 87 K 37 G 88 D 38 P 89 Q 39 K 94 S 40 A 95 W 41 F 96 L 42 L 97 P 43 D 98 L 44 F 99 L 45 Y 100 Y 46 H 101 Q 47 S 102 F 48 F 103 S 49 L 104 N 50 E 105 D 51 K 106 N 52 T 107 H 53 V 112 A 54 P 113 Y 55 V 114 P 56 P 115 T 57 P 116 G 58 N 117 L 59 V 118 V 60 A 119 Q 61 F 120 P 62 E 121 V 63 L 122 T 64 E 132 E 65 D 133 L 66 V 134 Y 67 Q 135 E 68 R 136 Q 69 R 137 I 70 F 138 S 71 V 139 Q 72 Q 140 T 73 E 141 L 74 V 142 S 75 V 143 D 76 Q 144 V 77 S 145 E 78 Q 146 V 92 Q 147 F 93 V 148 T 94 A 149 Q 95 V 150 A 96 G 151 D 97 R 152 S 98 Q 153 L 99 L 154 S 100 E 155 D 101 D 156 W 102 F 157 A 103 R 158 N 104 S 159 Q 105 K 160 F 106 R 161 L 107 L 162 L 108 M 163 G 109 G 164 I 110 M 165 G 111 T 166 L 112 P 167 A 113 W 168 Q 114 E 169 P 115 Q 170 E 116 E 171 L 117 L 172 A 118 A 173 K 119 Q 174 E 120 L 175 K 121 E 176 G 122 R 189 E 123 E 190 I 124 R 191 G 125 H 192 E 126 V 193 A 127 A 194 V 128 E 195 D 129 R 196 D 130 L 197 L 131 L 198 Q 132 M 199 D 133 H 200 I 134 L 201 C 135 E 202 Q 136 E 203 L 137 M 204 G 138 Q 205 Y 139 H 206 D 140 T 207 E 141 I 208 D 142 S 209 D 143 T 210 N 144 D 211 E 145 E 212 E 146 E 213 E 147 K 214 L 148 S 215 A 149 A 216 E 150 A 217 A 151 V 218 L 152 V 219 E 153 N 220 E 154 A 221 I 155 I 222 I 156 G 223 E 157 L 224 Y 158 Y 225 V 159 M 226 R 160 R 227 T 161 H 228 S 168 L 229 H 169 G 230 F 170 V 231 N 171 R 232 E 172 T 233 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:02:19 2002 Date: Tue, 28 May 2002 18:02:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 AL samt02.fal 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:36:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_474244_10059 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129AL189_4 Current information on models submitted in prediction T0129AL189 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_4 PIN_474244_10059 5035-2079-5263 05/28/02 17:36:19 casp5@bialko.llnl.gov T0129AL189_1 PIN_472913_10058 5035-2079-5263 05/28/02 17:36:06 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_1 PIN_472913_10058 5035-2079-5263 05/28/02 17:36:06 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129AL189_4 PIN_474244_10059 5035-2079-5263 05/28/02 17:36:19 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 AL PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1f1mA # Reading prediction format AL (DONE) # Converting alignments into a 3D structure # Loading structure PDB: 1f1m (chain: A) # Converting alignments into a 3D structure (DONE) # Checking the AL prediction MODEL 4 # Checking the AL prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 154 # Total number of atoms in model: 616 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1f1mA I 3 P 40 S 4 N 41 H 5 L 42 S 6 T 43 D 7 E 44 L 8 I 45 N 9 S 46 Q 10 K 47 Q 11 K 48 L 12 I 49 K 13 T 50 S 14 E 51 A 15 S 52 G 16 A 54 I 17 V 55 G 18 V 56 F 19 L 57 N 20 A 58 A 21 V 59 T 22 K 60 E 23 E 61 L 24 V 62 H 25 E 63 G 26 T 64 F 27 L 65 L 28 L 66 S 29 T 67 G 30 S 68 L 31 I 69 L 32 L 72 C 33 A 73 G 34 K 74 G 35 A 75 L 36 K 81 K 37 S 82 D 38 D 83 Q 39 V 84 S 40 S 85 S 49 L 86 N 50 D 87 D 51 N 88 N 52 E 89 H 53 A 90 A 54 D 91 Y 55 H 92 P 56 N 93 T 57 G 94 G 58 S 95 L 59 L 96 V 60 M 97 Q 61 S 98 P 62 G 99 V 63 A 100 T 64 Y 101 E 65 L 102 L 66 I 103 Y 67 S 104 E 68 T 105 Q 69 L 106 I 70 I 107 S 71 T 108 Q 72 K 109 T 73 K 110 L 74 I 111 S 75 S 112 D 76 A 113 V 77 I 114 E 78 K 115 E 88 D 116 D 89 S 117 E 90 G 118 N 91 E 119 V 92 L 120 F 93 K 121 T 94 A 122 Q 95 E 123 A 96 I 124 D 97 E 125 S 98 K 126 L 99 A 127 S 100 K 128 D 101 K 129 W 102 C 130 A 103 S 131 N 104 E 132 Q 105 E 133 F 106 F 134 L 107 T 135 L 108 A 136 G 109 K 137 I 110 L 138 G 111 K 139 L 112 G 140 A 113 E 141 Q 114 H 142 P 115 T 143 E 116 D 144 L 117 L 145 A 118 G 146 K 119 K 147 E 120 E 148 K 121 G 149 G 122 V 150 E 123 T 151 I 124 D 152 G 125 D 153 E 126 N 154 A 127 A 155 V 128 K 156 Q 132 K 157 D 133 A 158 I 134 I 159 C 135 L 160 Q 136 K 161 L 137 T 162 G 138 N 163 Y 139 N 164 D 140 D 165 E 141 K 166 D 142 T 167 D 143 K 168 N 144 G 169 E 145 A 170 E 146 D 171 E 147 E 172 L 148 L 173 A 149 E 174 E 150 K 175 A 151 L 176 L 152 F 177 E 153 E 178 E 154 S 179 I 155 V 180 I 156 K 181 E 157 N 182 Y 158 L 183 V 159 S 184 R 160 K 185 T 161 A 186 I 162 A 187 A 163 K 188 M 164 E 189 L 165 M 190 F 166 L 191 Y 167 T 192 S 168 N 193 H 169 S 194 F 170 V 195 N 171 K 196 E 172 E 197 G 173 L 198 V 180 T 199 L 181 S 200 H 182 P 201 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:02:29 2002 Date: Tue, 28 May 2002 18:02:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:36:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_484054_10060 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_1 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129AL189_4 PIN_474244_10059 5035-2079-5263 05/28/02 17:36:19 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1IAP_A # Loading PARENT structure: 1iap (chain: A) # Number of residues in PARENT structure: 190 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 151 # Total number of atoms in model: 151 # Number of atoms with 1.0 occupancy: 151 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 151 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1IAP_A ATOM 44 CA ILE 3 8.029 12.765 42.267 1.00 1.00 ATOM 45 CA SER 4 5.282 10.507 43.712 1.00 1.00 ATOM 46 CA HIS 5 7.998 8.009 44.643 1.00 1.00 ATOM 47 CA SER 6 10.430 10.335 46.441 1.00 1.00 ATOM 48 CA ASP 7 8.944 9.345 49.809 1.00 1.00 ATOM 49 CA LEU 8 6.224 7.290 51.484 1.00 1.00 ATOM 50 CA ASN 9 4.439 10.513 52.462 1.00 1.00 ATOM 51 CA GLN 10 4.152 11.468 48.784 1.00 1.00 ATOM 62 CA GLN 11 4.879 0.244 44.223 1.00 1.00 ATOM 63 CA LEU 12 2.889 -2.377 46.139 1.00 1.00 ATOM 64 CA LYS 13 3.034 -4.875 43.276 1.00 1.00 ATOM 65 CA SER 14 6.787 -4.329 43.016 1.00 1.00 ATOM 66 CA ALA 15 7.381 -4.777 46.767 1.00 1.00 ATOM 67 CA GLY 16 4.970 -7.730 47.098 1.00 1.00 ATOM 68 CA ILE 17 6.974 -9.579 44.428 1.00 1.00 ATOM 69 CA GLY 18 10.506 -8.408 45.294 1.00 1.00 ATOM 70 CA PHE 19 10.608 -7.887 49.091 1.00 1.00 ATOM 71 CA ASN 20 8.763 -8.595 52.334 1.00 1.00 ATOM 72 CA ALA 21 5.506 -6.557 52.107 1.00 1.00 ATOM 73 CA THR 22 5.068 -6.283 55.884 1.00 1.00 ATOM 74 CA GLU 23 7.029 -3.032 56.534 1.00 1.00 ATOM 75 CA LEU 24 5.345 -0.952 53.821 1.00 1.00 ATOM 76 CA HIS 25 1.870 -2.319 54.586 1.00 1.00 ATOM 77 CA GLY 26 2.420 -1.589 58.277 1.00 1.00 ATOM 78 CA PHE 27 3.308 2.054 57.582 1.00 1.00 ATOM 79 CA LEU 28 0.224 2.509 55.388 1.00 1.00 ATOM 80 CA SER 29 -2.119 1.036 58.013 1.00 1.00 ATOM 81 CA GLY 30 -0.485 3.161 60.720 1.00 1.00 ATOM 82 CA LEU 31 -1.220 6.293 58.705 1.00 1.00 ATOM 83 CA LEU 32 -4.793 5.101 58.174 1.00 1.00 ATOM 84 CA CYS 33 -5.099 4.677 61.957 1.00 1.00 ATOM 85 CA GLY 34 -4.106 8.301 62.476 1.00 1.00 ATOM 86 CA GLY 35 -7.177 9.551 60.597 1.00 1.00 ATOM 87 CA LEU 36 -9.700 7.660 62.750 1.00 1.00 ATOM 88 CA LYS 37 -11.570 8.643 65.902 1.00 1.00 ATOM 89 CA ASP 38 -10.555 7.394 69.410 1.00 1.00 ATOM 94 CA GLN 39 -10.350 -1.348 67.228 1.00 1.00 ATOM 95 CA SER 40 -8.111 -0.600 64.236 1.00 1.00 ATOM 96 CA TRP 41 -5.037 -0.739 66.474 1.00 1.00 ATOM 97 CA LEU 42 -5.923 -4.239 67.697 1.00 1.00 ATOM 98 CA PRO 43 -6.141 -5.381 64.056 1.00 1.00 ATOM 99 CA LEU 44 -2.854 -3.588 63.359 1.00 1.00 ATOM 100 CA LEU 45 -1.389 -5.462 66.330 1.00 1.00 ATOM 101 CA TYR 46 -2.637 -8.851 65.142 1.00 1.00 ATOM 102 CA GLN 47 -1.456 -8.218 61.573 1.00 1.00 ATOM 103 CA PHE 48 2.013 -6.731 62.106 1.00 1.00 ATOM 104 CA SER 49 3.161 -6.998 65.723 1.00 1.00 ATOM 105 CA ASN 50 1.990 -10.335 67.160 1.00 1.00 ATOM 106 CA ASP 51 4.364 -13.337 67.227 1.00 1.00 ATOM 107 CA ASN 52 2.384 -15.498 64.785 1.00 1.00 ATOM 112 CA HIS 53 7.433 -6.590 61.028 1.00 1.00 ATOM 113 CA ALA 54 10.595 -6.245 63.160 1.00 1.00 ATOM 114 CA TYR 55 9.217 -4.759 66.390 1.00 1.00 ATOM 115 CA PRO 56 11.280 -2.470 68.659 1.00 1.00 ATOM 116 CA THR 57 12.142 -4.586 71.750 1.00 1.00 ATOM 117 CA GLY 58 10.749 -1.861 74.042 1.00 1.00 ATOM 118 CA LEU 59 7.362 -1.907 72.286 1.00 1.00 ATOM 119 CA VAL 60 7.137 -5.715 72.277 1.00 1.00 ATOM 120 CA GLN 61 8.050 -5.760 75.984 1.00 1.00 ATOM 121 CA PRO 62 5.368 -3.185 76.843 1.00 1.00 ATOM 122 CA VAL 63 2.716 -4.811 74.642 1.00 1.00 ATOM 132 CA THR 64 -4.735 6.820 73.171 1.00 1.00 ATOM 133 CA GLU 65 -1.418 8.479 74.023 1.00 1.00 ATOM 134 CA LEU 66 0.354 5.148 74.607 1.00 1.00 ATOM 135 CA TYR 67 -1.256 3.780 71.430 1.00 1.00 ATOM 136 CA GLU 68 0.109 6.678 69.349 1.00 1.00 ATOM 137 CA GLN 69 3.568 6.081 70.856 1.00 1.00 ATOM 138 CA ILE 70 3.529 2.374 69.956 1.00 1.00 ATOM 139 CA SER 71 2.421 3.197 66.407 1.00 1.00 ATOM 140 CA GLN 72 5.026 5.952 65.917 1.00 1.00 ATOM 141 CA THR 73 7.839 3.787 67.341 1.00 1.00 ATOM 142 CA LEU 74 6.824 0.857 65.148 1.00 1.00 ATOM 143 CA SER 75 6.602 3.103 62.066 1.00 1.00 ATOM 144 CA ASP 76 9.973 4.689 62.855 1.00 1.00 ATOM 145 CA VAL 77 11.623 1.245 62.905 1.00 1.00 ATOM 146 CA GLU 78 10.323 0.472 59.387 1.00 1.00 ATOM 147 CA VAL 92 11.676 3.645 57.736 1.00 1.00 ATOM 148 CA PHE 93 14.997 2.056 56.718 1.00 1.00 ATOM 149 CA THR 94 13.464 -0.963 54.935 1.00 1.00 ATOM 150 CA GLN 95 10.690 1.064 53.271 1.00 1.00 ATOM 151 CA ALA 96 13.247 3.700 52.333 1.00 1.00 ATOM 152 CA ASP 97 15.414 1.069 50.632 1.00 1.00 ATOM 153 CA SER 98 12.396 -0.380 48.844 1.00 1.00 ATOM 154 CA LEU 99 11.358 3.055 47.522 1.00 1.00 ATOM 155 CA SER 100 14.953 3.594 46.394 1.00 1.00 ATOM 156 CA ASP 101 14.929 0.246 44.582 1.00 1.00 ATOM 157 CA TRP 102 11.603 1.064 42.940 1.00 1.00 ATOM 158 CA ALA 103 12.909 4.414 41.653 1.00 1.00 ATOM 159 CA ASN 104 16.048 2.826 40.178 1.00 1.00 ATOM 160 CA GLN 105 14.187 -0.070 38.549 1.00 1.00 ATOM 161 CA PHE 106 11.589 2.375 37.182 1.00 1.00 ATOM 162 CA LEU 107 14.258 4.334 35.303 1.00 1.00 ATOM 163 CA LEU 108 15.286 1.062 33.650 1.00 1.00 ATOM 164 CA GLY 109 11.691 0.146 32.788 1.00 1.00 ATOM 165 CA ILE 110 11.731 -2.642 35.359 1.00 1.00 ATOM 166 CA GLY 111 8.598 -1.639 37.287 1.00 1.00 ATOM 167 CA LEU 112 4.959 -2.635 36.628 1.00 1.00 ATOM 168 CA ALA 113 2.197 -0.434 35.254 1.00 1.00 ATOM 169 CA GLN 114 4.490 2.278 33.874 1.00 1.00 ATOM 170 CA PRO 115 2.167 2.710 30.884 1.00 1.00 ATOM 171 CA GLU 116 -0.746 3.556 33.212 1.00 1.00 ATOM 172 CA LEU 117 1.365 5.967 35.268 1.00 1.00 ATOM 173 CA ALA 118 2.592 7.595 32.045 1.00 1.00 ATOM 174 CA LYS 119 -0.952 8.029 30.765 1.00 1.00 ATOM 175 CA GLU 120 -1.984 9.712 34.024 1.00 1.00 ATOM 176 CA LYS 121 0.720 12.353 33.455 1.00 1.00 ATOM 189 CA GLY 122 -8.931 9.170 37.379 1.00 1.00 ATOM 190 CA GLU 123 -6.268 7.947 39.820 1.00 1.00 ATOM 191 CA ILE 124 -8.805 5.847 41.741 1.00 1.00 ATOM 192 CA GLY 125 -10.090 4.339 38.481 1.00 1.00 ATOM 193 CA GLU 126 -6.614 3.194 37.439 1.00 1.00 ATOM 194 CA ALA 127 -5.785 1.923 40.927 1.00 1.00 ATOM 195 CA VAL 128 -8.957 -0.185 40.921 1.00 1.00 ATOM 196 CA ASP 129 -7.858 -1.958 37.758 1.00 1.00 ATOM 197 CA ASP 130 -4.367 -2.503 39.176 1.00 1.00 ATOM 198 CA LEU 131 -5.846 -3.888 42.411 1.00 1.00 ATOM 199 CA GLN 132 -8.081 -6.278 40.474 1.00 1.00 ATOM 200 CA ASP 133 -5.031 -7.447 38.548 1.00 1.00 ATOM 201 CA ILE 134 -2.955 -7.995 41.691 1.00 1.00 ATOM 202 CA CYS 135 -5.729 -10.109 43.216 1.00 1.00 ATOM 203 CA GLN 136 -5.914 -12.229 40.067 1.00 1.00 ATOM 204 CA LEU 137 -2.147 -12.804 40.255 1.00 1.00 ATOM 205 CA GLY 138 -2.368 -13.361 44.027 1.00 1.00 ATOM 206 CA TYR 139 -0.422 -16.640 43.845 1.00 1.00 ATOM 207 CA ASP 140 2.651 -14.836 42.502 1.00 1.00 ATOM 208 CA GLU 141 2.898 -12.804 45.722 1.00 1.00 ATOM 209 CA ASP 142 3.855 -15.952 47.615 1.00 1.00 ATOM 210 CA ASP 143 3.397 -19.719 47.497 1.00 1.00 ATOM 211 CA ASN 144 1.985 -19.424 51.031 1.00 1.00 ATOM 212 CA GLU 145 -1.762 -18.895 50.550 1.00 1.00 ATOM 213 CA GLU 146 -2.045 -17.380 54.033 1.00 1.00 ATOM 214 CA GLU 147 0.667 -14.856 53.175 1.00 1.00 ATOM 215 CA LEU 148 -0.671 -13.817 49.769 1.00 1.00 ATOM 216 CA ALA 149 -4.189 -13.536 51.221 1.00 1.00 ATOM 217 CA GLU 150 -2.896 -11.334 54.058 1.00 1.00 ATOM 218 CA ALA 151 -1.186 -9.050 51.529 1.00 1.00 ATOM 219 CA LEU 152 -4.273 -8.739 49.325 1.00 1.00 ATOM 220 CA GLU 153 -6.485 -8.018 52.366 1.00 1.00 ATOM 221 CA GLU 154 -3.985 -5.473 53.665 1.00 1.00 ATOM 222 CA ILE 155 -3.753 -3.638 50.342 1.00 1.00 ATOM 223 CA ILE 156 -7.525 -3.851 49.963 1.00 1.00 ATOM 224 CA GLU 157 -8.051 -2.254 53.364 1.00 1.00 ATOM 225 CA TYR 158 -5.819 0.726 52.641 1.00 1.00 ATOM 226 CA VAL 159 -7.070 1.249 49.072 1.00 1.00 ATOM 227 CA ARG 160 -10.636 1.423 50.414 1.00 1.00 ATOM 228 CA THR 161 -9.327 4.214 52.671 1.00 1.00 ATOM 229 CA SER 168 -8.247 6.112 49.542 1.00 1.00 ATOM 230 CA HIS 169 -11.708 5.703 48.016 1.00 1.00 ATOM 231 CA PHE 170 -10.569 2.886 45.735 1.00 1.00 ATOM 232 CA ASN 171 -13.422 0.421 45.294 1.00 1.00 ATOM 233 CA GLU 172 -12.551 -3.243 45.780 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:03:09 2002 Date: Tue, 28 May 2002 18:03:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 AL samt02.fal 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:36:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_476657_10061 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format AL PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1e6iA # Reading prediction format AL (DONE) # Converting alignments into a 3D structure # Loading structure PDB: 1e6i (chain: A) # Converting alignments into a 3D structure (DONE) # Checking the AL prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue: H 182 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # ERROR! Check residue: H 182 (! There is no CA atom !) # Checking the AL prediction MODEL 5 (DONE) # Number of errors = 1. # Number of Warnings: 1 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1e6iA G 34 R 329 G 35 G 330 L 36 P 331 K 37 H 332 D 38 D 333 Q 39 A 334 S 40 A 335 W 41 I 336 L 42 Q 337 P 43 N 338 L 44 I 339 L 45 L 340 Y 46 T 341 Q 47 E 342 F 48 L 343 S 49 Q 344 N 50 N 345 D 51 H 346 N 52 A 347 H 53 A 348 A 54 A 349 Y 55 W 350 P 56 P 351 T 57 F 352 G 58 L 353 L 59 Q 354 D 76 P 355 V 77 V 356 E 88 N 357 D 89 K 358 E 90 E 359 N 91 E 360 V 92 V 361 F 93 P 362 T 94 D 363 Q 95 Y 364 A 96 Y 365 D 97 D 366 S 98 F 367 L 99 I 368 S 100 K 369 L 108 E 370 G 109 P 371 I 110 M 372 G 111 D 373 L 112 L 374 A 113 S 375 Q 114 T 376 P 115 M 377 E 116 E 378 L 117 I 379 A 118 K 380 K 119 L 381 E 120 E 382 K 121 S 383 G 122 Q 387 E 123 K 388 I 124 M 389 G 125 E 390 E 126 D 391 A 127 F 392 V 128 I 393 D 129 Y 394 D 130 D 395 L 131 A 396 Q 132 R 397 D 133 N 401 I 134 N 402 C 135 C 403 Q 136 R 404 L 137 M 405 G 138 Y 406 Y 139 N 407 D 140 G 408 E 141 E 409 D 142 N 410 D 143 T 411 N 144 S 412 E 145 Y 413 E 146 Y 414 E 147 K 415 L 148 Y 416 A 149 A 417 E 150 N 418 A 151 R 419 L 152 L 420 E 153 E 421 E 154 K 422 I 155 F 423 I 156 F 424 E 157 N 425 Y 158 N 426 F 170 K 427 N 171 V 428 E 172 K 429 G 173 E 430 E 174 I 431 I 175 P 432 E 176 E 433 S 177 Y 434 K 178 S 435 P 179 H 436 V 180 L 437 L 181 I 438 H 182 D 439 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue May 28 18:03:18 2002 Date: Tue, 28 May 2002 18:03:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 AL samt02.fal 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue May 28 17:37:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_482407_10062 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129AL189_2 Current information on models submitted in prediction T0129AL189 MODEL_INDEX PIN CODE DATE E-mail T0129AL189_2 PIN_482407_10062 5035-2079-5263 05/28/02 17:37:02 casp5@bialko.llnl.gov T0129AL189_4 PIN_474244_10059 5035-2079-5263 05/28/02 17:36:19 casp5@bialko.llnl.gov T0129AL189_1 PIN_472913_10058 5035-2079-5263 05/28/02 17:36:06 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129AL189_2 PIN_482407_10062 5035-2079-5263 05/28/02 17:37:02 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129AL189_4 PIN_474244_10059 5035-2079-5263 05/28/02 17:36:19 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 AL PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1rec # Reading prediction format AL (DONE) # Converting alignments into a 3D structure # Loading structure PDB: 1rec (chain: ) # Converting alignments into a 3D structure (DONE) # Checking the AL prediction MODEL 2 # Checking the AL prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 143 # Total number of atoms in model: 572 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT AL TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1rec L 8 L 9 N 9 S 10 Q 10 K 11 Q 11 E 12 L 12 I 13 K 13 L 14 S 14 E 15 A 15 E 16 G 16 N 20 I 17 T 21 G 18 K 22 F 19 F 23 N 20 T 24 A 21 E 25 T 22 E 26 E 23 E 27 L 24 L 28 H 25 S 29 G 26 S 30 F 27 W 31 L 28 Y 32 S 29 Q 33 G 30 S 34 L 31 F 35 L 32 L 36 C 33 S 41 G 34 G 42 G 35 R 43 L 36 I 44 K 37 T 45 D 38 R 46 Q 39 Q 47 S 40 E 48 W 41 F 49 L 42 Q 50 P 43 T 51 L 44 I 52 L 45 Y 53 Y 46 S 54 Q 47 K 55 F 48 F 56 S 49 F 57 N 50 P 58 D 51 E 59 A 54 A 60 Y 55 D 61 P 56 P 62 T 57 K 63 G 58 A 64 L 59 Y 65 V 60 A 66 Q 61 Q 67 P 62 H 68 V 63 V 69 T 64 F 70 Q 72 R 71 T 73 S 72 L 74 F 73 F 80 G 79 T 81 T 80 F 82 L 81 E 83 D 82 Q 95 F 83 A 96 K 84 S 100 E 85 D 101 Y 86 W 102 V 87 A 103 I 88 N 104 A 89 Q 105 L 90 F 106 H 91 L 107 M 92 L 108 T 93 G 109 S 94 I 110 A 95 G 111 G 96 L 112 K 97 A 113 T 98 Q 114 N 99 P 115 Q 100 E 116 K 101 L 117 L 102 A 118 E 103 K 119 W 104 E 120 A 105 K 121 F 106 G 122 S 107 E 123 L 108 I 124 Y 109 G 125 N 120 E 126 E 121 A 127 V 122 V 128 L 123 D 129 E 124 D 130 I 125 L 131 V 126 Q 132 T 127 D 133 A 128 I 134 I 129 C 135 F 130 Q 136 K 131 L 137 M 132 G 138 H 140 Y 139 L 141 D 140 P 142 E 141 E 143 D 142 D 144 D 143 E 145 N 144 N 146 E 145 T 147 E 146 P 148 E 147 E 149 L 148 R 151 A 149 A 152 E 150 E 153 A 151 K 154 L 152 I 155 E 153 K 170 E 154 E 171 I 155 F 172 I 156 I 173 E 157 E 174 Y 158 G 175 V 159 T 176 R 160 L 177 T 161 A 178 I 162 K 180 A 163 E 181 M 164 I 182 L 165 L 183 F 166 R 184 Y 167 L 185 S 168 I 186 H 169 Q 187 F 170 F 188 N 171 E 189 E 172 P 190 G 173 Q 191 E 174 K 194 I 175 E 195 E 176 K 196 S 177 L 197 K 178 K 198 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jun 4 12:03:10 2002 Date: Tue, 4 Jun 2002 12:03:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jun 4 11:37:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_491772_10283 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_4 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129AL189_2 PIN_482407_10062 5035-2079-5263 05/28/02 17:37:02 casp5@bialko.llnl.gov T0129AL189_3 PIN_464763_10056 5035-2079-5263 05/28/02 17:35:29 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1F1M_A # Loading PARENT structure: 1f1m (chain: A) # Number of residues in PARENT structure: 162 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue M 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 167 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 154 # Total number of atoms in model: 154 # Number of atoms with 1.0 occupancy: 154 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 154 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1F1M_A ATOM 40 CA ILE 3 -0.495 17.900 -25.621 1.00 1.00 ATOM 41 CA SER 4 2.945 19.522 -25.548 1.00 1.00 ATOM 42 CA HIS 5 5.278 16.522 -25.607 1.00 1.00 ATOM 43 CA SER 6 8.161 18.754 -24.502 1.00 1.00 ATOM 44 CA ASP 7 6.585 19.829 -21.211 1.00 1.00 ATOM 45 CA LEU 8 5.216 16.354 -20.487 1.00 1.00 ATOM 46 CA ASN 9 8.470 14.509 -21.173 1.00 1.00 ATOM 47 CA GLN 10 10.213 16.974 -18.852 1.00 1.00 ATOM 48 CA GLN 11 7.686 16.431 -16.065 1.00 1.00 ATOM 49 CA LEU 12 7.882 12.657 -16.481 1.00 1.00 ATOM 50 CA LYS 13 11.679 12.707 -16.167 1.00 1.00 ATOM 51 CA SER 14 11.530 14.991 -13.132 1.00 1.00 ATOM 52 CA ALA 15 8.710 13.058 -11.458 1.00 1.00 ATOM 54 CA GLY 16 13.632 11.106 -10.422 1.00 1.00 ATOM 55 CA ILE 17 11.562 12.035 -7.369 1.00 1.00 ATOM 56 CA GLY 18 9.964 8.590 -7.157 1.00 1.00 ATOM 57 CA PHE 19 13.418 6.975 -7.350 1.00 1.00 ATOM 58 CA ASN 20 14.742 9.267 -4.629 1.00 1.00 ATOM 59 CA ALA 21 11.832 8.337 -2.340 1.00 1.00 ATOM 60 CA THR 22 12.388 4.656 -3.179 1.00 1.00 ATOM 61 CA GLU 23 15.917 4.911 -1.752 1.00 1.00 ATOM 62 CA LEU 24 14.464 6.175 1.501 1.00 1.00 ATOM 63 CA HIS 25 11.787 3.476 1.517 1.00 1.00 ATOM 64 CA GLY 26 14.317 0.731 0.853 1.00 1.00 ATOM 65 CA PHE 27 16.636 1.938 3.602 1.00 1.00 ATOM 66 CA LEU 28 13.723 1.541 6.022 1.00 1.00 ATOM 67 CA SER 29 13.270 -1.954 4.616 1.00 1.00 ATOM 68 CA GLY 30 16.927 -2.744 5.345 1.00 1.00 ATOM 69 CA LEU 31 16.448 -1.825 9.001 1.00 1.00 ATOM 72 CA LEU 32 18.389 -6.005 10.562 1.00 1.00 ATOM 73 CA CYS 33 15.686 -6.383 13.201 1.00 1.00 ATOM 74 CA GLY 34 15.221 -10.005 12.103 1.00 1.00 ATOM 75 CA GLY 35 18.912 -10.611 12.848 1.00 1.00 ATOM 81 CA LEU 36 25.601 -20.879 11.070 1.00 1.00 ATOM 82 CA LYS 37 26.371 -23.144 8.107 1.00 1.00 ATOM 83 CA ASP 38 22.720 -22.976 6.950 1.00 1.00 ATOM 84 CA GLN 39 20.085 -20.844 5.198 1.00 1.00 ATOM 85 CA SER 40 18.617 -20.234 8.658 1.00 1.00 ATOM 86 CA SER 49 20.432 -18.341 11.429 1.00 1.00 ATOM 87 CA ASN 50 21.435 -19.748 14.826 1.00 1.00 ATOM 88 CA ASP 51 20.866 -18.254 18.289 1.00 1.00 ATOM 89 CA ASN 52 23.273 -15.919 20.090 1.00 1.00 ATOM 90 CA HIS 53 21.410 -13.609 22.445 1.00 1.00 ATOM 91 CA ALA 54 22.242 -10.180 23.843 1.00 1.00 ATOM 92 CA TYR 55 25.181 -9.122 21.632 1.00 1.00 ATOM 93 CA PRO 56 23.280 -6.778 19.333 1.00 1.00 ATOM 94 CA THR 57 25.499 -3.719 19.726 1.00 1.00 ATOM 95 CA GLY 58 27.236 -3.827 16.325 1.00 1.00 ATOM 96 CA LEU 59 23.902 -4.580 14.645 1.00 1.00 ATOM 97 CA VAL 60 22.355 -1.552 16.401 1.00 1.00 ATOM 98 CA GLN 61 25.303 0.621 15.372 1.00 1.00 ATOM 99 CA PRO 62 24.589 -0.413 11.790 1.00 1.00 ATOM 100 CA VAL 63 20.920 0.522 12.119 1.00 1.00 ATOM 101 CA THR 64 21.978 3.858 13.608 1.00 1.00 ATOM 102 CA GLU 65 24.210 4.696 10.630 1.00 1.00 ATOM 103 CA LEU 66 21.413 3.799 8.234 1.00 1.00 ATOM 104 CA TYR 67 19.092 6.127 10.163 1.00 1.00 ATOM 105 CA GLU 68 21.505 9.003 9.576 1.00 1.00 ATOM 106 CA GLN 69 21.757 8.091 5.883 1.00 1.00 ATOM 107 CA ILE 70 17.949 8.122 5.650 1.00 1.00 ATOM 108 CA SER 71 17.776 11.773 6.742 1.00 1.00 ATOM 109 CA GLN 72 20.411 12.677 4.165 1.00 1.00 ATOM 110 CA THR 73 18.478 10.870 1.424 1.00 1.00 ATOM 111 CA LEU 74 15.227 12.639 2.355 1.00 1.00 ATOM 112 CA SER 75 17.051 15.959 1.974 1.00 1.00 ATOM 113 CA ASP 76 18.289 14.793 -1.441 1.00 1.00 ATOM 114 CA VAL 77 14.772 14.718 -2.893 1.00 1.00 ATOM 115 CA GLU 78 14.346 17.559 -5.396 1.00 1.00 ATOM 116 CA GLU 88 11.772 20.033 -4.101 1.00 1.00 ATOM 117 CA ASP 89 9.015 21.955 -5.875 1.00 1.00 ATOM 118 CA GLU 90 6.609 22.668 -3.042 1.00 1.00 ATOM 119 CA ASN 91 4.095 20.060 -4.188 1.00 1.00 ATOM 120 CA VAL 92 5.680 17.541 -1.795 1.00 1.00 ATOM 121 CA PHE 93 7.001 20.054 0.738 1.00 1.00 ATOM 122 CA THR 94 4.600 18.941 3.485 1.00 1.00 ATOM 123 CA GLN 95 5.323 15.224 3.019 1.00 1.00 ATOM 124 CA ALA 96 9.085 15.707 2.774 1.00 1.00 ATOM 125 CA ASP 97 9.247 17.865 5.910 1.00 1.00 ATOM 126 CA SER 98 7.219 15.372 7.953 1.00 1.00 ATOM 127 CA LEU 99 9.380 12.445 6.863 1.00 1.00 ATOM 128 CA SER 100 12.551 14.403 7.620 1.00 1.00 ATOM 129 CA ASP 101 11.589 15.465 11.150 1.00 1.00 ATOM 130 CA TRP 102 10.489 11.931 11.968 1.00 1.00 ATOM 131 CA ALA 103 13.766 10.536 10.623 1.00 1.00 ATOM 132 CA ASN 104 15.640 12.995 12.849 1.00 1.00 ATOM 133 CA GLN 105 13.492 11.991 15.838 1.00 1.00 ATOM 134 CA PHE 106 14.296 8.313 15.265 1.00 1.00 ATOM 135 CA LEU 107 18.055 8.958 15.168 1.00 1.00 ATOM 136 CA LEU 108 17.791 11.190 18.242 1.00 1.00 ATOM 137 CA GLY 109 15.928 8.462 20.122 1.00 1.00 ATOM 138 CA ILE 110 18.574 5.849 19.323 1.00 1.00 ATOM 139 CA GLY 111 21.300 8.234 20.512 1.00 1.00 ATOM 140 CA LEU 112 19.454 9.025 23.720 1.00 1.00 ATOM 141 CA ALA 113 19.199 5.318 24.560 1.00 1.00 ATOM 142 CA GLN 114 22.908 4.625 24.167 1.00 1.00 ATOM 143 CA PRO 115 23.057 3.402 27.779 1.00 1.00 ATOM 144 CA GLU 116 21.283 0.230 26.643 1.00 1.00 ATOM 145 CA LEU 117 22.063 0.414 22.920 1.00 1.00 ATOM 146 CA ALA 118 25.643 1.697 23.003 1.00 1.00 ATOM 147 CA LYS 119 27.766 -1.335 23.885 1.00 1.00 ATOM 148 CA GLU 120 28.409 -4.764 22.412 1.00 1.00 ATOM 149 CA LYS 121 26.123 -6.508 24.898 1.00 1.00 ATOM 150 CA GLY 122 22.806 -5.007 23.758 1.00 1.00 ATOM 151 CA GLU 123 20.083 -7.421 24.923 1.00 1.00 ATOM 152 CA ILE 124 17.651 -8.900 22.412 1.00 1.00 ATOM 153 CA GLY 125 14.802 -7.197 24.279 1.00 1.00 ATOM 154 CA GLU 126 16.278 -3.679 24.186 1.00 1.00 ATOM 155 CA ALA 127 17.299 -4.080 20.539 1.00 1.00 ATOM 156 CA VAL 128 13.666 -4.890 19.726 1.00 1.00 ATOM 157 CA GLN 132 12.377 -1.796 21.535 1.00 1.00 ATOM 158 CA ASP 133 14.636 0.183 19.217 1.00 1.00 ATOM 159 CA ILE 134 14.186 -1.282 15.722 1.00 1.00 ATOM 160 CA CYS 135 11.411 -3.916 15.759 1.00 1.00 ATOM 161 CA GLN 136 8.201 -2.127 14.721 1.00 1.00 ATOM 162 CA LEU 137 6.003 -5.091 15.686 1.00 1.00 ATOM 163 CA GLY 138 7.338 -5.142 19.242 1.00 1.00 ATOM 164 CA TYR 139 4.909 -4.353 22.068 1.00 1.00 ATOM 165 CA ASP 140 7.444 -2.157 23.879 1.00 1.00 ATOM 166 CA GLU 141 8.648 0.473 21.377 1.00 1.00 ATOM 167 CA ASP 142 10.225 2.868 23.882 1.00 1.00 ATOM 168 CA ASP 143 13.806 2.896 22.586 1.00 1.00 ATOM 169 CA ASN 144 13.268 3.999 18.993 1.00 1.00 ATOM 170 CA GLU 145 10.786 1.514 17.541 1.00 1.00 ATOM 171 CA GLU 146 7.963 4.004 18.069 1.00 1.00 ATOM 172 CA GLU 147 9.763 6.646 16.002 1.00 1.00 ATOM 173 CA LEU 148 10.669 4.052 13.358 1.00 1.00 ATOM 174 CA ALA 149 7.019 3.047 12.989 1.00 1.00 ATOM 175 CA GLU 150 5.936 6.661 12.521 1.00 1.00 ATOM 176 CA ALA 151 8.810 7.248 10.111 1.00 1.00 ATOM 177 CA LEU 152 7.528 4.282 8.109 1.00 1.00 ATOM 178 CA GLU 153 4.084 5.881 7.776 1.00 1.00 ATOM 179 CA GLU 154 5.457 9.301 6.793 1.00 1.00 ATOM 180 CA ILE 155 7.614 7.819 4.059 1.00 1.00 ATOM 181 CA ILE 156 4.657 5.688 2.993 1.00 1.00 ATOM 182 CA GLU 157 2.527 8.819 2.560 1.00 1.00 ATOM 183 CA TYR 158 5.388 10.542 0.747 1.00 1.00 ATOM 184 CA VAL 159 5.730 7.600 -1.680 1.00 1.00 ATOM 185 CA ARG 160 2.019 7.629 -2.544 1.00 1.00 ATOM 186 CA THR 161 2.079 11.362 -3.308 1.00 1.00 ATOM 187 CA ILE 162 5.253 10.983 -5.367 1.00 1.00 ATOM 188 CA ALA 163 3.913 8.024 -7.356 1.00 1.00 ATOM 189 CA MET 164 0.704 10.007 -7.820 1.00 1.00 ATOM 190 CA LEU 165 2.567 12.842 -9.551 1.00 1.00 ATOM 191 CA PHE 166 4.363 10.366 -11.808 1.00 1.00 ATOM 192 CA TYR 167 1.281 8.423 -12.884 1.00 1.00 ATOM 193 CA SER 168 -0.618 11.673 -13.508 1.00 1.00 ATOM 194 CA HIS 169 2.246 12.978 -15.643 1.00 1.00 ATOM 195 CA PHE 170 2.237 9.841 -17.787 1.00 1.00 ATOM 196 CA ASN 171 -1.528 9.612 -18.353 1.00 1.00 ATOM 197 CA GLU 172 -1.322 13.132 -19.819 1.00 1.00 ATOM 198 CA GLY 173 0.031 11.490 -22.978 1.00 1.00 ATOM 199 CA VAL 180 -3.152 9.558 -23.727 1.00 1.00 ATOM 200 CA LEU 181 -5.635 11.773 -21.867 1.00 1.00 ATOM 201 CA HIS 182 -8.507 12.267 -22.318 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jun 4 12:03:22 2002 Date: Tue, 4 Jun 2002 12:03:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jun 4 11:37:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_490761_10284 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_3 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129AL189_2 PIN_482407_10062 5035-2079-5263 05/28/02 17:37:02 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1D9C_A # Loading PARENT structure: 1d9c (chain: A) # Number of residues in PARENT structure: 121 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue L 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 118 # Total number of atoms in model: 118 # Number of atoms with 1.0 occupancy: 118 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 118 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1D9C_A ATOM 1 CA MET 1 72.618 -10.218 33.936 1.00 1.00 ATOM 2 CA LEU 2 72.751 -14.044 34.253 1.00 1.00 ATOM 3 CA ILE 3 73.678 -14.074 37.962 1.00 1.00 ATOM 4 CA SER 4 70.952 -11.470 38.512 1.00 1.00 ATOM 5 CA HIS 5 68.148 -13.337 36.758 1.00 1.00 ATOM 6 CA SER 6 69.141 -16.550 38.593 1.00 1.00 ATOM 7 CA ASP 7 68.881 -14.678 41.899 1.00 1.00 ATOM 8 CA LEU 8 65.476 -13.149 41.300 1.00 1.00 ATOM 9 CA ASN 9 64.194 -16.619 40.369 1.00 1.00 ATOM 10 CA GLN 10 65.698 -18.012 43.576 1.00 1.00 ATOM 11 CA GLN 11 63.730 -15.362 45.555 1.00 1.00 ATOM 12 CA LEU 12 60.522 -15.932 43.488 1.00 1.00 ATOM 13 CA LYS 13 60.817 -19.627 44.297 1.00 1.00 ATOM 14 CA SER 14 61.322 -19.097 48.057 1.00 1.00 ATOM 15 CA ALA 15 58.333 -16.771 48.402 1.00 1.00 ATOM 16 CA GLY 16 56.158 -18.483 45.725 1.00 1.00 ATOM 17 CA ILE 17 56.000 -15.137 43.866 1.00 1.00 ATOM 18 CA PHE 19 55.383 -16.235 40.263 1.00 1.00 ATOM 19 CA ASN 20 51.892 -17.602 41.024 1.00 1.00 ATOM 20 CA ALA 21 48.626 -15.834 40.028 1.00 1.00 ATOM 21 CA GLY 30 47.608 -15.332 43.670 1.00 1.00 ATOM 22 CA LEU 31 50.210 -12.524 43.689 1.00 1.00 ATOM 23 CA LEU 32 48.591 -10.174 41.147 1.00 1.00 ATOM 24 CA CYS 33 45.612 -10.341 43.542 1.00 1.00 ATOM 25 CA GLY 34 45.284 -6.961 45.229 1.00 1.00 ATOM 26 CA GLY 35 46.825 -4.466 42.811 1.00 1.00 ATOM 28 CA SER 40 52.840 -2.434 44.706 1.00 1.00 ATOM 29 CA TRP 41 55.389 -0.415 42.798 1.00 1.00 ATOM 30 CA LEU 42 54.692 -0.992 39.072 1.00 1.00 ATOM 31 CA PRO 43 52.001 1.643 38.731 1.00 1.00 ATOM 32 CA LEU 44 54.074 4.298 40.546 1.00 1.00 ATOM 33 CA LEU 45 57.129 3.393 38.442 1.00 1.00 ATOM 34 CA TYR 46 55.124 4.251 35.288 1.00 1.00 ATOM 35 CA GLN 47 53.761 7.503 36.754 1.00 1.00 ATOM 36 CA PHE 48 57.363 8.666 37.284 1.00 1.00 ATOM 37 CA SER 49 59.122 6.984 34.350 1.00 1.00 ATOM 38 CA ASN 50 60.107 10.300 32.765 1.00 1.00 ATOM 39 CA ASP 51 59.981 12.563 35.850 1.00 1.00 ATOM 40 CA ASN 52 63.208 14.475 36.443 1.00 1.00 ATOM 41 CA HIS 53 62.732 13.905 40.197 1.00 1.00 ATOM 42 CA PRO 56 62.053 10.113 40.044 1.00 1.00 ATOM 43 CA THR 57 64.926 9.445 42.483 1.00 1.00 ATOM 44 CA GLY 58 62.498 10.650 45.173 1.00 1.00 ATOM 45 CA LEU 59 60.339 7.599 44.448 1.00 1.00 ATOM 46 CA VAL 60 63.217 5.236 43.685 1.00 1.00 ATOM 47 CA THR 64 64.691 6.104 47.077 1.00 1.00 ATOM 48 CA GLU 65 61.553 4.822 48.845 1.00 1.00 ATOM 49 CA LEU 66 61.409 1.698 46.699 1.00 1.00 ATOM 50 CA TYR 67 65.086 0.896 47.242 1.00 1.00 ATOM 51 CA GLU 68 64.827 1.515 50.992 1.00 1.00 ATOM 52 CA GLN 69 61.883 -0.869 51.112 1.00 1.00 ATOM 53 CA ILE 70 63.986 -3.709 49.592 1.00 1.00 ATOM 54 CA SER 71 66.880 -2.976 51.903 1.00 1.00 ATOM 55 CA GLN 72 64.634 -3.159 54.939 1.00 1.00 ATOM 56 CA THR 73 62.933 -6.301 53.623 1.00 1.00 ATOM 57 CA LEU 74 66.215 -8.032 52.957 1.00 1.00 ATOM 58 CA SER 75 67.616 -6.923 56.298 1.00 1.00 ATOM 59 CA ASP 76 64.790 -8.632 58.106 1.00 1.00 ATOM 60 CA VAL 77 65.074 -11.819 56.041 1.00 1.00 ATOM 61 CA GLU 78 68.856 -11.803 56.663 1.00 1.00 ATOM 62 CA ASP 89 68.852 -15.205 58.419 1.00 1.00 ATOM 63 CA GLU 90 67.096 -17.200 55.685 1.00 1.00 ATOM 64 CA ASN 91 70.172 -19.071 54.498 1.00 1.00 ATOM 65 CA VAL 92 68.432 -20.123 51.286 1.00 1.00 ATOM 66 CA PHE 93 68.067 -16.575 49.974 1.00 1.00 ATOM 67 CA THR 94 70.895 -14.806 51.765 1.00 1.00 ATOM 68 CA GLN 95 73.225 -14.674 48.764 1.00 1.00 ATOM 69 CA ALA 96 70.346 -13.731 46.407 1.00 1.00 ATOM 70 CA ASP 97 69.627 -10.724 48.592 1.00 1.00 ATOM 71 CA SER 98 73.358 -9.860 48.786 1.00 1.00 ATOM 72 CA LEU 99 73.607 -9.948 44.977 1.00 1.00 ATOM 75 CA SER 100 74.997 -4.997 45.597 1.00 1.00 ATOM 76 CA ASP 101 73.419 -4.332 42.212 1.00 1.00 ATOM 77 CA TRP 102 71.021 -1.715 43.590 1.00 1.00 ATOM 78 CA ALA 103 74.034 -0.138 45.253 1.00 1.00 ATOM 79 CA ASN 104 75.974 0.067 41.993 1.00 1.00 ATOM 80 CA GLN 105 73.118 1.412 39.872 1.00 1.00 ATOM 81 CA PHE 106 71.316 3.669 42.346 1.00 1.00 ATOM 82 CA LEU 107 74.089 4.837 44.652 1.00 1.00 ATOM 83 CA LEU 108 76.879 4.785 41.973 1.00 1.00 ATOM 84 CA GLY 109 78.847 2.246 43.982 1.00 1.00 ATOM 85 CA ILE 124 79.655 5.062 46.429 1.00 1.00 ATOM 86 CA GLY 125 80.314 3.415 49.765 1.00 1.00 ATOM 87 CA GLU 126 79.896 6.695 51.704 1.00 1.00 ATOM 88 CA ALA 127 76.488 7.196 50.072 1.00 1.00 ATOM 89 CA VAL 128 75.545 3.662 51.080 1.00 1.00 ATOM 90 CA ASP 129 76.489 4.174 54.730 1.00 1.00 ATOM 91 CA ASP 130 74.317 7.346 54.775 1.00 1.00 ATOM 92 CA LEU 131 71.414 5.639 53.039 1.00 1.00 ATOM 93 CA GLN 132 71.517 2.692 55.439 1.00 1.00 ATOM 94 CA ASP 133 71.659 4.976 58.429 1.00 1.00 ATOM 95 CA ILE 134 68.646 6.995 57.302 1.00 1.00 ATOM 96 CA CYS 135 66.378 4.040 56.478 1.00 1.00 ATOM 97 CA GLN 136 66.974 2.476 59.879 1.00 1.00 ATOM 98 CA LEU 137 65.929 5.470 62.003 1.00 1.00 ATOM 99 CA GLY 138 62.973 4.751 64.344 1.00 1.00 ATOM 100 CA TYR 139 60.154 7.312 64.599 1.00 1.00 ATOM 101 CA ASP 140 59.009 6.185 68.037 1.00 1.00 ATOM 102 CA GLU 141 62.189 6.954 69.979 1.00 1.00 ATOM 103 CA GLU 145 61.910 10.209 72.010 1.00 1.00 ATOM 104 CA GLU 146 65.623 11.035 71.995 1.00 1.00 ATOM 105 CA GLU 147 65.545 10.684 68.194 1.00 1.00 ATOM 106 CA LEU 148 62.362 12.816 67.918 1.00 1.00 ATOM 107 CA ALA 149 64.065 15.676 69.793 1.00 1.00 ATOM 108 CA GLU 150 67.129 15.567 67.569 1.00 1.00 ATOM 109 CA ALA 151 64.904 15.611 64.488 1.00 1.00 ATOM 110 CA LEU 152 62.909 18.586 65.720 1.00 1.00 ATOM 111 CA GLU 153 66.154 20.189 66.747 1.00 1.00 ATOM 112 CA GLU 154 67.519 19.859 63.204 1.00 1.00 ATOM 113 CA ILE 155 64.429 20.978 61.331 1.00 1.00 ATOM 114 CA ILE 156 65.821 24.396 60.466 1.00 1.00 ATOM 115 CA GLU 157 68.811 22.828 58.748 1.00 1.00 ATOM 116 CA TYR 158 66.565 20.300 56.964 1.00 1.00 ATOM 117 CA VAL 159 64.165 22.957 55.730 1.00 1.00 ATOM 118 CA ARG 160 66.994 25.154 54.348 1.00 1.00 ATOM 119 CA THR 161 68.336 22.224 52.339 1.00 1.00 ATOM 120 CA LEU 181 64.920 21.734 50.780 1.00 1.00 ATOM 121 CA HIS 182 64.690 25.450 49.870 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jun 4 12:03:32 2002 Date: Tue, 4 Jun 2002 12:03:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jun 4 11:37:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_493835_10285 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_2 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1REC # Loading PARENT structure: 1rec (chain: ) # Number of residues in PARENT structure: 185 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue F 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue I 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue M 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 167 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue E 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 143 # Total number of atoms in model: 143 # Number of atoms with 1.0 occupancy: 143 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 143 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1REC ATOM 9 CA LEU 8 53.076 27.080 27.026 1.00 1.00 ATOM 10 CA ASN 9 53.637 30.519 28.661 1.00 1.00 ATOM 11 CA GLN 10 50.545 31.985 26.933 1.00 1.00 ATOM 12 CA GLN 11 48.828 28.593 27.422 1.00 1.00 ATOM 13 CA LEU 12 49.528 28.727 31.216 1.00 1.00 ATOM 14 CA LYS 13 48.602 32.420 31.357 1.00 1.00 ATOM 15 CA SER 14 45.443 31.436 29.483 1.00 1.00 ATOM 16 CA ALA 15 44.475 28.693 31.964 1.00 1.00 ATOM 20 CA GLY 16 45.233 33.624 39.178 1.00 1.00 ATOM 21 CA ILE 17 48.641 34.329 37.578 1.00 1.00 ATOM 22 CA GLY 18 51.557 35.784 39.549 1.00 1.00 ATOM 23 CA PHE 19 53.758 35.859 36.454 1.00 1.00 ATOM 24 CA ASN 20 54.040 37.480 33.054 1.00 1.00 ATOM 25 CA ALA 21 54.881 35.417 29.970 1.00 1.00 ATOM 26 CA THR 22 58.459 36.708 30.080 1.00 1.00 ATOM 27 CA GLU 23 58.868 35.643 33.719 1.00 1.00 ATOM 28 CA LEU 24 57.279 32.259 32.961 1.00 1.00 ATOM 29 CA HIS 25 59.802 31.937 30.146 1.00 1.00 ATOM 30 CA GLY 26 62.655 32.710 32.552 1.00 1.00 ATOM 31 CA PHE 27 61.410 30.145 35.092 1.00 1.00 ATOM 32 CA LEU 28 61.084 27.695 32.192 1.00 1.00 ATOM 33 CA SER 29 64.716 28.124 31.055 1.00 1.00 ATOM 34 CA GLY 30 65.736 27.425 34.637 1.00 1.00 ATOM 35 CA LEU 31 63.401 24.399 34.874 1.00 1.00 ATOM 36 CA LEU 32 64.944 22.886 31.722 1.00 1.00 ATOM 41 CA CYS 33 63.054 16.665 29.206 1.00 1.00 ATOM 42 CA GLY 34 60.607 19.329 30.465 1.00 1.00 ATOM 43 CA GLY 35 58.718 16.661 32.437 1.00 1.00 ATOM 44 CA LEU 36 58.617 16.031 36.182 1.00 1.00 ATOM 45 CA LYS 37 57.606 12.694 37.730 1.00 1.00 ATOM 46 CA ASP 38 55.356 12.178 40.717 1.00 1.00 ATOM 47 CA GLN 39 58.381 11.373 42.846 1.00 1.00 ATOM 48 CA SER 40 60.141 14.573 41.797 1.00 1.00 ATOM 49 CA TRP 41 56.963 16.576 42.469 1.00 1.00 ATOM 50 CA LEU 42 56.492 15.090 45.977 1.00 1.00 ATOM 51 CA PRO 43 60.093 16.028 46.800 1.00 1.00 ATOM 52 CA LEU 44 59.295 19.766 46.307 1.00 1.00 ATOM 53 CA LEU 45 56.598 19.581 49.017 1.00 1.00 ATOM 54 CA TYR 46 58.762 17.488 51.354 1.00 1.00 ATOM 55 CA GLN 47 61.601 19.988 50.994 1.00 1.00 ATOM 56 CA PHE 48 59.443 23.059 51.552 1.00 1.00 ATOM 57 CA SER 49 57.043 21.838 54.270 1.00 1.00 ATOM 58 CA ASN 50 59.572 20.357 56.765 1.00 1.00 ATOM 59 CA ASP 51 57.132 20.341 59.660 1.00 1.00 ATOM 60 CA ALA 54 54.394 18.339 57.895 1.00 1.00 ATOM 61 CA TYR 55 53.970 15.086 55.945 1.00 1.00 ATOM 62 CA PRO 56 53.121 16.323 52.384 1.00 1.00 ATOM 63 CA THR 57 53.397 12.991 50.498 1.00 1.00 ATOM 64 CA GLY 58 49.677 12.095 50.197 1.00 1.00 ATOM 65 CA LEU 59 48.844 15.741 49.515 1.00 1.00 ATOM 66 CA VAL 60 51.435 16.160 46.764 1.00 1.00 ATOM 67 CA GLN 61 50.345 12.849 45.197 1.00 1.00 ATOM 68 CA PRO 62 46.663 13.951 45.076 1.00 1.00 ATOM 69 CA VAL 63 47.596 17.337 43.593 1.00 1.00 ATOM 70 CA THR 64 49.788 15.562 40.960 1.00 1.00 ATOM 71 CA GLN 72 46.929 13.159 40.255 1.00 1.00 ATOM 72 CA THR 73 44.432 15.970 39.713 1.00 1.00 ATOM 73 CA LEU 74 46.259 16.745 36.445 1.00 1.00 ATOM 79 CA PHE 80 53.543 9.339 34.605 1.00 1.00 ATOM 80 CA THR 81 54.767 12.926 34.567 1.00 1.00 ATOM 81 CA PHE 82 53.630 16.537 34.556 1.00 1.00 ATOM 82 CA GLU 83 54.910 19.003 32.022 1.00 1.00 ATOM 83 CA GLN 95 56.005 22.528 32.969 1.00 1.00 ATOM 84 CA ALA 96 52.515 23.927 32.403 1.00 1.00 ATOM 85 CA SER 100 50.799 21.591 34.830 1.00 1.00 ATOM 86 CA ASP 101 53.675 21.972 37.272 1.00 1.00 ATOM 87 CA TRP 102 53.261 25.776 37.321 1.00 1.00 ATOM 88 CA ALA 103 49.463 25.520 37.683 1.00 1.00 ATOM 89 CA ASN 104 49.761 22.971 40.526 1.00 1.00 ATOM 90 CA GLN 105 52.015 25.381 42.469 1.00 1.00 ATOM 91 CA PHE 106 49.527 28.216 41.895 1.00 1.00 ATOM 92 CA LEU 107 46.575 26.034 43.017 1.00 1.00 ATOM 93 CA LEU 108 48.178 25.081 46.313 1.00 1.00 ATOM 94 CA GLY 109 49.841 28.378 47.135 1.00 1.00 ATOM 95 CA ILE 110 48.446 31.473 45.413 1.00 1.00 ATOM 96 CA GLY 111 45.153 33.237 44.726 1.00 1.00 ATOM 97 CA LEU 112 41.785 32.986 46.369 1.00 1.00 ATOM 98 CA ALA 113 40.167 29.601 46.856 1.00 1.00 ATOM 99 CA GLN 114 36.923 30.688 45.196 1.00 1.00 ATOM 100 CA PRO 115 38.790 31.078 41.928 1.00 1.00 ATOM 101 CA GLU 116 39.916 27.438 41.965 1.00 1.00 ATOM 102 CA LEU 117 36.541 25.677 42.385 1.00 1.00 ATOM 103 CA ALA 118 36.630 23.733 39.094 1.00 1.00 ATOM 104 CA LYS 119 40.159 22.450 39.863 1.00 1.00 ATOM 105 CA GLU 120 39.165 21.664 43.486 1.00 1.00 ATOM 106 CA LYS 121 36.452 19.353 42.152 1.00 1.00 ATOM 107 CA GLY 122 39.202 17.512 40.243 1.00 1.00 ATOM 108 CA GLU 123 41.228 17.256 43.456 1.00 1.00 ATOM 109 CA ILE 124 38.285 15.802 45.462 1.00 1.00 ATOM 120 CA GLY 125 35.292 8.284 51.004 1.00 1.00 ATOM 121 CA GLU 126 36.995 10.660 48.552 1.00 1.00 ATOM 122 CA ALA 127 36.343 13.702 50.738 1.00 1.00 ATOM 123 CA VAL 128 37.760 11.803 53.711 1.00 1.00 ATOM 124 CA ASP 129 40.853 10.927 51.654 1.00 1.00 ATOM 125 CA ASP 130 41.581 14.529 50.674 1.00 1.00 ATOM 126 CA LEU 131 40.745 15.964 54.123 1.00 1.00 ATOM 127 CA GLN 132 43.159 13.429 55.700 1.00 1.00 ATOM 128 CA ASP 133 45.986 14.453 53.310 1.00 1.00 ATOM 129 CA ILE 134 45.342 18.170 53.992 1.00 1.00 ATOM 130 CA CYS 135 45.346 17.468 57.743 1.00 1.00 ATOM 131 CA GLN 136 48.822 15.934 57.351 1.00 1.00 ATOM 132 CA LEU 137 50.014 19.319 56.086 1.00 1.00 ATOM 140 CA GLY 138 43.720 25.277 67.731 1.00 1.00 ATOM 141 CA TYR 139 40.996 23.527 65.695 1.00 1.00 ATOM 142 CA ASP 140 37.313 23.604 66.767 1.00 1.00 ATOM 143 CA GLU 141 36.106 20.418 68.465 1.00 1.00 ATOM 144 CA ASP 142 33.806 19.583 65.562 1.00 1.00 ATOM 145 CA ASP 143 36.578 19.767 62.935 1.00 1.00 ATOM 146 CA ASN 144 39.631 18.499 64.800 1.00 1.00 ATOM 147 CA GLU 145 40.020 15.094 63.077 1.00 1.00 ATOM 148 CA GLU 146 39.847 14.073 59.386 1.00 1.00 ATOM 149 CA GLU 147 36.605 12.155 59.975 1.00 1.00 ATOM 151 CA LEU 148 35.936 17.595 59.186 1.00 1.00 ATOM 152 CA ALA 149 34.790 15.216 56.348 1.00 1.00 ATOM 153 CA GLU 150 31.419 14.481 58.043 1.00 1.00 ATOM 154 CA ALA 151 30.707 18.162 58.560 1.00 1.00 ATOM 155 CA LEU 152 31.403 18.770 54.861 1.00 1.00 ATOM 170 CA GLU 153 27.118 21.296 39.837 1.00 1.00 ATOM 171 CA GLU 154 26.286 20.926 43.533 1.00 1.00 ATOM 172 CA ILE 155 29.918 21.197 44.548 1.00 1.00 ATOM 173 CA ILE 156 30.350 24.576 42.857 1.00 1.00 ATOM 174 CA GLU 157 26.972 25.872 44.070 1.00 1.00 ATOM 175 CA TYR 158 27.690 24.989 47.681 1.00 1.00 ATOM 176 CA VAL 159 31.289 26.148 47.840 1.00 1.00 ATOM 177 CA ARG 160 30.483 29.443 46.108 1.00 1.00 ATOM 178 CA THR 161 27.141 30.076 47.858 1.00 1.00 ATOM 180 CA ILE 162 31.559 30.368 52.657 1.00 1.00 ATOM 181 CA ALA 163 31.336 27.981 55.585 1.00 1.00 ATOM 182 CA MET 164 31.590 25.139 53.045 1.00 1.00 ATOM 183 CA LEU 165 34.455 26.871 51.220 1.00 1.00 ATOM 184 CA PHE 166 36.390 27.098 54.486 1.00 1.00 ATOM 185 CA TYR 167 35.931 23.349 55.183 1.00 1.00 ATOM 186 CA SER 168 37.147 22.141 51.737 1.00 1.00 ATOM 187 CA HIS 169 40.005 24.704 51.677 1.00 1.00 ATOM 188 CA PHE 170 43.151 22.889 50.558 1.00 1.00 ATOM 189 CA ASN 171 45.930 25.556 50.494 1.00 1.00 ATOM 190 CA GLU 172 48.197 24.760 53.498 1.00 1.00 ATOM 191 CA GLY 173 48.738 28.435 54.445 1.00 1.00 ATOM 194 CA GLU 174 46.739 27.681 59.089 1.00 1.00 ATOM 195 CA ILE 175 45.854 31.383 58.937 1.00 1.00 ATOM 196 CA GLU 176 42.165 30.671 59.676 1.00 1.00 ATOM 197 CA SER 177 42.890 29.841 63.304 1.00 1.00 ATOM 198 CA LYS 178 45.526 32.350 64.508 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jun 4 12:04:10 2002 Date: Tue, 4 Jun 2002 12:04:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jun 4 11:37:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_492625_10286 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_5 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_5 PIN_492625_10286 5035-2079-5263 06/04/02 11:37:48 casp5@bialko.llnl.gov T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_5 PIN_492625_10286 5035-2079-5263 06/04/02 11:37:48 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1E6I_A # Loading PARENT structure: 1e6i (chain: A) # Number of residues in PARENT structure: 111 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 173 # IMPORTANT NOTE! Not complete main chain atoms for residue E 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue L 181 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 104 # Total number of atoms in model: 104 # Number of atoms with 1.0 occupancy: 104 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 104 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1E6I_A ATOM 329 CA GLY 34 8.169 37.870 20.557 1.00 1.00 ATOM 330 CA GLY 35 5.375 35.860 18.951 1.00 1.00 ATOM 331 CA LEU 36 4.424 32.740 20.940 1.00 1.00 ATOM 332 CA LYS 37 5.730 30.542 18.085 1.00 1.00 ATOM 333 CA ASP 38 8.392 32.801 16.536 1.00 1.00 ATOM 334 CA GLN 39 11.417 31.173 18.184 1.00 1.00 ATOM 335 CA SER 40 10.295 27.624 17.549 1.00 1.00 ATOM 336 CA TRP 41 9.493 28.413 13.904 1.00 1.00 ATOM 337 CA LEU 42 12.856 30.197 13.305 1.00 1.00 ATOM 338 CA PRO 43 14.749 27.254 14.810 1.00 1.00 ATOM 339 CA LEU 44 12.902 24.677 12.687 1.00 1.00 ATOM 340 CA LEU 45 13.249 26.757 9.533 1.00 1.00 ATOM 341 CA TYR 46 16.994 27.227 10.082 1.00 1.00 ATOM 342 CA GLN 47 17.398 23.433 10.472 1.00 1.00 ATOM 343 CA PHE 48 15.345 22.776 7.327 1.00 1.00 ATOM 344 CA SER 49 17.453 25.215 5.335 1.00 1.00 ATOM 345 CA ASN 50 20.665 23.581 6.657 1.00 1.00 ATOM 346 CA ASP 51 19.444 20.076 5.785 1.00 1.00 ATOM 347 CA ASN 52 21.200 17.890 3.214 1.00 1.00 ATOM 348 CA HIS 53 17.892 17.397 1.394 1.00 1.00 ATOM 349 CA ALA 54 16.889 21.088 1.363 1.00 1.00 ATOM 350 CA TYR 55 18.776 22.311 -1.718 1.00 1.00 ATOM 351 CA PRO 56 15.883 21.885 -4.255 1.00 1.00 ATOM 352 CA THR 57 13.522 23.822 -1.959 1.00 1.00 ATOM 353 CA GLY 58 15.660 26.828 -0.879 1.00 1.00 ATOM 354 CA LEU 59 14.196 29.159 -3.494 1.00 1.00 ATOM 355 CA ASP 76 11.139 29.276 -5.739 1.00 1.00 ATOM 356 CA VAL 77 11.175 27.072 -8.774 1.00 1.00 ATOM 357 CA GLU 88 12.594 28.984 -11.729 1.00 1.00 ATOM 358 CA ASP 89 10.018 29.167 -14.548 1.00 1.00 ATOM 359 CA GLU 90 12.698 29.482 -17.235 1.00 1.00 ATOM 360 CA ASN 91 14.282 26.215 -16.073 1.00 1.00 ATOM 361 CA VAL 92 10.922 24.480 -15.522 1.00 1.00 ATOM 362 CA PHE 93 8.544 26.182 -17.977 1.00 1.00 ATOM 363 CA THR 94 5.295 24.347 -17.077 1.00 1.00 ATOM 364 CA GLN 95 5.771 24.221 -13.282 1.00 1.00 ATOM 365 CA ALA 96 3.218 26.950 -12.441 1.00 1.00 ATOM 366 CA ASP 97 0.723 25.468 -14.880 1.00 1.00 ATOM 367 CA SER 98 0.411 22.613 -12.421 1.00 1.00 ATOM 368 CA LEU 99 1.394 23.931 -9.004 1.00 1.00 ATOM 369 CA SER 100 -1.183 26.510 -7.887 1.00 1.00 ATOM 370 CA LEU 108 0.067 27.095 -4.316 1.00 1.00 ATOM 371 CA GLY 109 3.829 27.193 -4.768 1.00 1.00 ATOM 372 CA ILE 110 6.044 27.328 -1.715 1.00 1.00 ATOM 373 CA GLY 111 9.765 27.211 -0.857 1.00 1.00 ATOM 374 CA LEU 112 11.938 27.880 2.168 1.00 1.00 ATOM 375 CA ALA 113 12.885 31.453 1.214 1.00 1.00 ATOM 376 CA GLN 114 9.195 32.280 1.004 1.00 1.00 ATOM 377 CA PRO 115 8.667 30.686 4.420 1.00 1.00 ATOM 378 CA GLU 116 11.550 32.747 5.835 1.00 1.00 ATOM 379 CA LEU 117 10.045 35.928 4.371 1.00 1.00 ATOM 380 CA ALA 118 6.605 35.063 5.764 1.00 1.00 ATOM 381 CA LYS 119 8.153 34.410 9.197 1.00 1.00 ATOM 382 CA GLU 120 9.990 37.792 9.164 1.00 1.00 ATOM 383 CA LYS 121 6.840 39.563 7.888 1.00 1.00 ATOM 387 CA GLY 122 0.721 33.683 14.076 1.00 1.00 ATOM 388 CA GLU 123 -0.486 30.102 14.130 1.00 1.00 ATOM 389 CA ILE 124 1.998 27.243 14.004 1.00 1.00 ATOM 390 CA GLY 125 -0.588 25.563 11.723 1.00 1.00 ATOM 391 CA GLU 126 0.168 28.077 8.948 1.00 1.00 ATOM 392 CA ALA 127 3.884 27.244 9.015 1.00 1.00 ATOM 393 CA VAL 128 3.192 23.526 8.974 1.00 1.00 ATOM 394 CA ASP 129 0.807 24.040 6.051 1.00 1.00 ATOM 395 CA ASP 130 3.499 25.837 4.085 1.00 1.00 ATOM 396 CA LEU 131 6.129 23.160 4.865 1.00 1.00 ATOM 397 CA GLN 132 3.646 20.586 3.587 1.00 1.00 ATOM 401 CA ASP 133 3.513 17.720 -1.376 1.00 1.00 ATOM 402 CA ILE 134 3.903 20.039 -4.347 1.00 1.00 ATOM 403 CA CYS 135 7.206 18.258 -4.999 1.00 1.00 ATOM 404 CA GLN 136 5.676 14.776 -4.958 1.00 1.00 ATOM 405 CA LEU 137 2.774 16.028 -7.054 1.00 1.00 ATOM 406 CA GLY 138 4.974 17.415 -9.879 1.00 1.00 ATOM 407 CA TYR 139 7.887 14.963 -9.899 1.00 1.00 ATOM 408 CA ASP 140 7.960 11.232 -10.625 1.00 1.00 ATOM 409 CA GLU 141 8.169 8.814 -7.697 1.00 1.00 ATOM 410 CA ASP 142 11.542 7.571 -9.058 1.00 1.00 ATOM 411 CA ASP 143 13.225 10.997 -9.217 1.00 1.00 ATOM 412 CA ASN 144 15.779 12.477 -6.835 1.00 1.00 ATOM 413 CA GLU 145 13.320 15.328 -6.028 1.00 1.00 ATOM 414 CA GLU 146 10.733 12.890 -4.744 1.00 1.00 ATOM 415 CA GLU 147 13.423 11.287 -2.558 1.00 1.00 ATOM 416 CA LEU 148 14.542 14.678 -1.189 1.00 1.00 ATOM 417 CA ALA 149 10.912 15.604 -0.388 1.00 1.00 ATOM 418 CA GLU 150 10.419 12.385 1.566 1.00 1.00 ATOM 419 CA ALA 151 13.661 12.829 3.479 1.00 1.00 ATOM 420 CA LEU 152 13.051 16.488 4.327 1.00 1.00 ATOM 421 CA GLU 153 9.507 15.701 5.443 1.00 1.00 ATOM 422 CA GLU 154 10.595 12.869 7.751 1.00 1.00 ATOM 423 CA ILE 155 13.100 15.288 9.268 1.00 1.00 ATOM 424 CA ILE 156 10.513 18.046 9.593 1.00 1.00 ATOM 425 CA GLU 157 7.992 15.713 11.262 1.00 1.00 ATOM 426 CA TYR 158 10.575 14.632 13.854 1.00 1.00 ATOM 427 CA PHE 170 11.709 18.200 14.591 1.00 1.00 ATOM 428 CA ASN 171 8.152 19.423 15.223 1.00 1.00 ATOM 429 CA GLU 172 6.857 16.303 16.970 1.00 1.00 ATOM 430 CA GLY 173 9.697 16.489 19.515 1.00 1.00 ATOM 431 CA GLU 174 8.379 19.806 20.854 1.00 1.00 ATOM 432 CA ILE 175 5.563 18.704 23.177 1.00 1.00 ATOM 433 CA GLU 176 3.422 21.820 22.500 1.00 1.00 ATOM 434 CA SER 177 3.204 20.954 18.779 1.00 1.00 ATOM 435 CA LYS 178 3.126 17.139 18.900 1.00 1.00 ATOM 436 CA PRO 179 -0.664 17.188 18.309 1.00 1.00 ATOM 437 CA VAL 180 -0.028 18.690 14.833 1.00 1.00 ATOM 438 CA LEU 181 2.060 15.795 13.458 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jun 4 12:04:42 2002 Date: Tue, 4 Jun 2002 12:04:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0129 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jun 4 11:38:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_503977_10289 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129TS189_1 Current information on models submitted in prediction T0129TS189 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_503977_10289 5035-2079-5263 06/04/02 11:38:30 casp5@bialko.llnl.gov T0129TS189_5 PIN_492625_10286 5035-2079-5263 06/04/02 11:37:48 casp5@bialko.llnl.gov T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_1 PIN_484054_10060 5035-2079-5263 05/28/02 17:36:33 casp5@bialko.llnl.gov T0129TS189_4 PIN_475152_10057 5035-2079-5263 05/28/02 17:35:42 casp5@bialko.llnl.gov T0129TS189_3 PIN_470038_10055 5035-2079-5263 05/28/02 17:35:15 casp5@bialko.llnl.gov T0129TS189_5 PIN_467699_10054 5035-2079-5263 05/28/02 17:35:01 casp5@bialko.llnl.gov T0129TS189_2 PIN_463308_10052 5035-2079-5263 05/28/02 17:34:31 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129TS189_1 PIN_503977_10289 5035-2079-5263 06/04/02 11:38:30 casp5@bialko.llnl.gov T0129TS189_2 PIN_493835_10285 5035-2079-5263 06/04/02 11:37:34 casp5@bialko.llnl.gov T0129TS189_3 PIN_490761_10284 5035-2079-5263 06/04/02 11:37:20 casp5@bialko.llnl.gov T0129TS189_4 PIN_491772_10283 5035-2079-5263 06/04/02 11:37:06 casp5@bialko.llnl.gov T0129TS189_5 PIN_492625_10286 5035-2079-5263 06/04/02 11:37:48 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 T0129 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1IAP_A # Loading PARENT structure: 1iap (chain: A) # Number of residues in PARENT structure: 190 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue H 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue C 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue W 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue L 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue W 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue V 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue D 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue C 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue D 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue E 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue R 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue H 169 # IMPORTANT NOTE! Not complete main chain atoms for residue F 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0129 # Total number of residues in target: 182 # Total number of residues in model: 151 # Total number of atoms in model: 151 # Number of atoms with 1.0 occupancy: 151 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 151 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0129 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1IAP_A ATOM 44 CA ILE 3 8.029 12.765 42.267 1.00 1.00 ATOM 45 CA SER 4 5.282 10.507 43.712 1.00 1.00 ATOM 46 CA HIS 5 7.998 8.009 44.643 1.00 1.00 ATOM 47 CA SER 6 10.430 10.335 46.441 1.00 1.00 ATOM 48 CA ASP 7 8.944 9.345 49.809 1.00 1.00 ATOM 49 CA LEU 8 6.224 7.290 51.484 1.00 1.00 ATOM 50 CA ASN 9 4.439 10.513 52.462 1.00 1.00 ATOM 51 CA GLN 10 4.152 11.468 48.784 1.00 1.00 ATOM 62 CA GLN 11 4.879 0.244 44.223 1.00 1.00 ATOM 63 CA LEU 12 2.889 -2.377 46.139 1.00 1.00 ATOM 64 CA LYS 13 3.034 -4.875 43.276 1.00 1.00 ATOM 65 CA SER 14 6.787 -4.329 43.016 1.00 1.00 ATOM 66 CA ALA 15 7.381 -4.777 46.767 1.00 1.00 ATOM 67 CA GLY 16 4.970 -7.730 47.098 1.00 1.00 ATOM 68 CA ILE 17 6.974 -9.579 44.428 1.00 1.00 ATOM 69 CA GLY 18 10.506 -8.408 45.294 1.00 1.00 ATOM 70 CA PHE 19 10.608 -7.887 49.091 1.00 1.00 ATOM 71 CA ASN 20 8.763 -8.595 52.334 1.00 1.00 ATOM 72 CA ALA 21 5.506 -6.557 52.107 1.00 1.00 ATOM 73 CA THR 22 5.068 -6.283 55.884 1.00 1.00 ATOM 74 CA GLU 23 7.029 -3.032 56.534 1.00 1.00 ATOM 75 CA LEU 24 5.345 -0.952 53.821 1.00 1.00 ATOM 76 CA HIS 25 1.870 -2.319 54.586 1.00 1.00 ATOM 77 CA GLY 26 2.420 -1.589 58.277 1.00 1.00 ATOM 78 CA PHE 27 3.308 2.054 57.582 1.00 1.00 ATOM 79 CA LEU 28 0.224 2.509 55.388 1.00 1.00 ATOM 80 CA SER 29 -2.119 1.036 58.013 1.00 1.00 ATOM 81 CA GLY 30 -0.485 3.161 60.720 1.00 1.00 ATOM 82 CA LEU 31 -1.220 6.293 58.705 1.00 1.00 ATOM 83 CA LEU 32 -4.793 5.101 58.174 1.00 1.00 ATOM 84 CA CYS 33 -5.099 4.677 61.957 1.00 1.00 ATOM 85 CA GLY 34 -4.106 8.301 62.476 1.00 1.00 ATOM 86 CA GLY 35 -7.177 9.551 60.597 1.00 1.00 ATOM 87 CA LEU 36 -9.700 7.660 62.750 1.00 1.00 ATOM 88 CA LYS 37 -11.570 8.643 65.902 1.00 1.00 ATOM 89 CA ASP 38 -10.555 7.394 69.410 1.00 1.00 ATOM 94 CA GLN 39 -10.350 -1.348 67.228 1.00 1.00 ATOM 95 CA SER 40 -8.111 -0.600 64.236 1.00 1.00 ATOM 96 CA TRP 41 -5.037 -0.739 66.474 1.00 1.00 ATOM 97 CA LEU 42 -5.923 -4.239 67.697 1.00 1.00 ATOM 98 CA PRO 43 -6.141 -5.381 64.056 1.00 1.00 ATOM 99 CA LEU 44 -2.854 -3.588 63.359 1.00 1.00 ATOM 100 CA LEU 45 -1.389 -5.462 66.330 1.00 1.00 ATOM 101 CA TYR 46 -2.637 -8.851 65.142 1.00 1.00 ATOM 102 CA GLN 47 -1.456 -8.218 61.573 1.00 1.00 ATOM 103 CA PHE 48 2.013 -6.731 62.106 1.00 1.00 ATOM 104 CA SER 49 3.161 -6.998 65.723 1.00 1.00 ATOM 105 CA ASN 50 1.990 -10.335 67.160 1.00 1.00 ATOM 106 CA ASP 51 4.364 -13.337 67.227 1.00 1.00 ATOM 107 CA ASN 52 2.384 -15.498 64.785 1.00 1.00 ATOM 112 CA HIS 53 7.433 -6.590 61.028 1.00 1.00 ATOM 113 CA ALA 54 10.595 -6.245 63.160 1.00 1.00 ATOM 114 CA TYR 55 9.217 -4.759 66.390 1.00 1.00 ATOM 115 CA PRO 56 11.280 -2.470 68.659 1.00 1.00 ATOM 116 CA THR 57 12.142 -4.586 71.750 1.00 1.00 ATOM 117 CA GLY 58 10.749 -1.861 74.042 1.00 1.00 ATOM 118 CA LEU 59 7.362 -1.907 72.286 1.00 1.00 ATOM 119 CA VAL 60 7.137 -5.715 72.277 1.00 1.00 ATOM 120 CA GLN 61 8.050 -5.760 75.984 1.00 1.00 ATOM 121 CA PRO 62 5.368 -3.185 76.843 1.00 1.00 ATOM 122 CA VAL 63 2.716 -4.811 74.642 1.00 1.00 ATOM 132 CA THR 64 -4.735 6.820 73.171 1.00 1.00 ATOM 133 CA GLU 65 -1.418 8.479 74.023 1.00 1.00 ATOM 134 CA LEU 66 0.354 5.148 74.607 1.00 1.00 ATOM 135 CA TYR 67 -1.256 3.780 71.430 1.00 1.00 ATOM 136 CA GLU 68 0.109 6.678 69.349 1.00 1.00 ATOM 137 CA GLN 69 3.568 6.081 70.856 1.00 1.00 ATOM 138 CA ILE 70 3.529 2.374 69.956 1.00 1.00 ATOM 139 CA SER 71 2.421 3.197 66.407 1.00 1.00 ATOM 140 CA GLN 72 5.026 5.952 65.917 1.00 1.00 ATOM 141 CA THR 73 7.839 3.787 67.341 1.00 1.00 ATOM 142 CA LEU 74 6.824 0.857 65.148 1.00 1.00 ATOM 143 CA SER 75 6.602 3.103 62.066 1.00 1.00 ATOM 144 CA ASP 76 9.973 4.689 62.855 1.00 1.00 ATOM 145 CA VAL 77 11.623 1.245 62.905 1.00 1.00 ATOM 146 CA GLU 78 10.323 0.472 59.387 1.00 1.00 ATOM 147 CA VAL 92 11.676 3.645 57.736 1.00 1.00 ATOM 148 CA PHE 93 14.997 2.056 56.718 1.00 1.00 ATOM 149 CA THR 94 13.464 -0.963 54.935 1.00 1.00 ATOM 150 CA GLN 95 10.690 1.064 53.271 1.00 1.00 ATOM 151 CA ALA 96 13.247 3.700 52.333 1.00 1.00 ATOM 152 CA ASP 97 15.414 1.069 50.632 1.00 1.00 ATOM 153 CA SER 98 12.396 -0.380 48.844 1.00 1.00 ATOM 154 CA LEU 99 11.358 3.055 47.522 1.00 1.00 ATOM 155 CA SER 100 14.953 3.594 46.394 1.00 1.00 ATOM 156 CA ASP 101 14.929 0.246 44.582 1.00 1.00 ATOM 157 CA TRP 102 11.603 1.064 42.940 1.00 1.00 ATOM 158 CA ALA 103 12.909 4.414 41.653 1.00 1.00 ATOM 159 CA ASN 104 16.048 2.826 40.178 1.00 1.00 ATOM 160 CA GLN 105 14.187 -0.070 38.549 1.00 1.00 ATOM 161 CA PHE 106 11.589 2.375 37.182 1.00 1.00 ATOM 162 CA LEU 107 14.258 4.334 35.303 1.00 1.00 ATOM 163 CA LEU 108 15.286 1.062 33.650 1.00 1.00 ATOM 164 CA GLY 109 11.691 0.146 32.788 1.00 1.00 ATOM 165 CA ILE 110 11.731 -2.642 35.359 1.00 1.00 ATOM 166 CA GLY 111 8.598 -1.639 37.287 1.00 1.00 ATOM 167 CA LEU 112 4.959 -2.635 36.628 1.00 1.00 ATOM 168 CA ALA 113 2.197 -0.434 35.254 1.00 1.00 ATOM 169 CA GLN 114 4.490 2.278 33.874 1.00 1.00 ATOM 170 CA PRO 115 2.167 2.710 30.884 1.00 1.00 ATOM 171 CA GLU 116 -0.746 3.556 33.212 1.00 1.00 ATOM 172 CA LEU 117 1.365 5.967 35.268 1.00 1.00 ATOM 173 CA ALA 118 2.592 7.595 32.045 1.00 1.00 ATOM 174 CA LYS 119 -0.952 8.029 30.765 1.00 1.00 ATOM 175 CA GLU 120 -1.984 9.712 34.024 1.00 1.00 ATOM 176 CA LYS 121 0.720 12.353 33.455 1.00 1.00 ATOM 189 CA GLY 122 -8.931 9.170 37.379 1.00 1.00 ATOM 190 CA GLU 123 -6.268 7.947 39.820 1.00 1.00 ATOM 191 CA ILE 124 -8.805 5.847 41.741 1.00 1.00 ATOM 192 CA GLY 125 -10.090 4.339 38.481 1.00 1.00 ATOM 193 CA GLU 126 -6.614 3.194 37.439 1.00 1.00 ATOM 194 CA ALA 127 -5.785 1.923 40.927 1.00 1.00 ATOM 195 CA VAL 128 -8.957 -0.185 40.921 1.00 1.00 ATOM 196 CA ASP 129 -7.858 -1.958 37.758 1.00 1.00 ATOM 197 CA ASP 130 -4.367 -2.503 39.176 1.00 1.00 ATOM 198 CA LEU 131 -5.846 -3.888 42.411 1.00 1.00 ATOM 199 CA GLN 132 -8.081 -6.278 40.474 1.00 1.00 ATOM 200 CA ASP 133 -5.031 -7.447 38.548 1.00 1.00 ATOM 201 CA ILE 134 -2.955 -7.995 41.691 1.00 1.00 ATOM 202 CA CYS 135 -5.729 -10.109 43.216 1.00 1.00 ATOM 203 CA GLN 136 -5.914 -12.229 40.067 1.00 1.00 ATOM 204 CA LEU 137 -2.147 -12.804 40.255 1.00 1.00 ATOM 205 CA GLY 138 -2.368 -13.361 44.027 1.00 1.00 ATOM 206 CA TYR 139 -0.422 -16.640 43.845 1.00 1.00 ATOM 207 CA ASP 140 2.651 -14.836 42.502 1.00 1.00 ATOM 208 CA GLU 141 2.898 -12.804 45.722 1.00 1.00 ATOM 209 CA ASP 142 3.855 -15.952 47.615 1.00 1.00 ATOM 210 CA ASP 143 3.397 -19.719 47.497 1.00 1.00 ATOM 211 CA ASN 144 1.985 -19.424 51.031 1.00 1.00 ATOM 212 CA GLU 145 -1.762 -18.895 50.550 1.00 1.00 ATOM 213 CA GLU 146 -2.045 -17.380 54.033 1.00 1.00 ATOM 214 CA GLU 147 0.667 -14.856 53.175 1.00 1.00 ATOM 215 CA LEU 148 -0.671 -13.817 49.769 1.00 1.00 ATOM 216 CA ALA 149 -4.189 -13.536 51.221 1.00 1.00 ATOM 217 CA GLU 150 -2.896 -11.334 54.058 1.00 1.00 ATOM 218 CA ALA 151 -1.186 -9.050 51.529 1.00 1.00 ATOM 219 CA LEU 152 -4.273 -8.739 49.325 1.00 1.00 ATOM 220 CA GLU 153 -6.485 -8.018 52.366 1.00 1.00 ATOM 221 CA GLU 154 -3.985 -5.473 53.665 1.00 1.00 ATOM 222 CA ILE 155 -3.753 -3.638 50.342 1.00 1.00 ATOM 223 CA ILE 156 -7.525 -3.851 49.963 1.00 1.00 ATOM 224 CA GLU 157 -8.051 -2.254 53.364 1.00 1.00 ATOM 225 CA TYR 158 -5.819 0.726 52.641 1.00 1.00 ATOM 226 CA VAL 159 -7.070 1.249 49.072 1.00 1.00 ATOM 227 CA ARG 160 -10.636 1.423 50.414 1.00 1.00 ATOM 228 CA THR 161 -9.327 4.214 52.671 1.00 1.00 ATOM 229 CA SER 168 -8.247 6.112 49.542 1.00 1.00 ATOM 230 CA HIS 169 -11.708 5.703 48.016 1.00 1.00 ATOM 231 CA PHE 170 -10.569 2.886 45.735 1.00 1.00 ATOM 232 CA ASN 171 -13.422 0.421 45.294 1.00 1.00 ATOM 233 CA GLU 172 -12.551 -3.243 45.780 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 06:34:13 2002 Date: Sat, 15 Jun 2002 06:34:02 -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 Sat Jun 15 06:07:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_186784_10747 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0129 AUTHOR 2491-6940-1261 # Reading MODEL 1 G T 0.357 # ERROR! Check the line NB = 16 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0129 AUTHOR 2491-6940-1261 METHOD CAFASP METHOD samt02_dssp METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0129.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 6 METHOD MODEL 1 M C 0.983 L C 0.742 I C 0.497 S C 0.448 H H 0.439 S H 0.835 D H 0.866 L H 0.913 N H 0.946 Q H 0.946 Q H 0.934 L H 0.878 K H 0.763 S H 0.643 A H 0.470 G T 0.357 I S 0.355 G C 0.377 F C 0.801 N C 0.903 A H 0.915 T H 0.875 E H 0.892 L H 0.943 H H 0.877 G H 0.858 F H 0.878 L H 0.834 S H 0.678 G H 0.509 L H 0.469 L H 0.314 C T 0.254 G C 0.310 G T 0.332 L C 0.330 K C 0.501 D C 0.250 Q H 0.492 S H 0.661 W H 0.956 L H 0.976 P H 0.983 L H 0.990 L H 0.986 Y H 0.973 Q H 0.942 F H 0.809 S H 0.483 N C 0.375 D T 0.491 N T 0.542 H C 0.591 A C 0.512 Y C 0.550 P H 0.508 T H 0.697 G H 0.633 L H 0.695 V H 0.792 Q H 0.821 P H 0.886 V H 0.960 T H 0.973 E H 0.976 L H 0.983 Y H 0.987 E H 0.976 Q H 0.967 I H 0.958 S H 0.930 Q H 0.869 T H 0.768 L H 0.493 S H 0.325 D T 0.392 V C 0.373 E S 0.397 G E 0.393 F E 0.762 T E 0.965 F E 0.980 E E 0.983 L E 0.964 G E 0.881 L E 0.459 T C 0.734 E T 0.771 D T 0.661 E C 0.532 N C 0.627 V H 0.291 F H 0.446 T H 0.491 Q H 0.618 A H 0.766 D H 0.835 S H 0.871 L H 0.964 S H 0.980 D H 0.983 W H 0.983 A H 0.977 N H 0.957 Q H 0.929 F H 0.926 L H 0.874 L H 0.716 G H 0.529 I H 0.392 G T 0.405 L C 0.265 A C 0.408 Q H 0.477 P H 0.580 E H 0.569 L H 0.636 A H 0.688 K H 0.686 E H 0.739 K H 0.704 G H 0.725 E H 0.911 I H 0.961 G H 0.975 E H 0.969 A H 0.971 V H 0.965 D H 0.953 D H 0.943 L H 0.993 Q H 0.991 D H 0.986 I H 0.986 C H 0.967 Q H 0.747 L T 0.558 G T 0.402 Y C 0.614 D C 0.774 E H 0.402 D H 0.377 D H 0.414 N C 0.417 E H 0.930 E H 0.906 E H 0.908 L H 0.926 A H 0.917 E H 0.917 A H 0.902 L H 0.950 E H 0.969 E H 0.988 I H 0.994 I H 0.998 E H 0.997 Y H 0.996 V H 0.997 R H 0.997 T H 0.997 I H 0.997 A H 0.994 M H 0.983 L H 0.958 F H 0.917 Y H 0.768 S H 0.599 H H 0.483 F H 0.263 N C 0.443 E S 0.470 G C 0.669 E C 0.774 I C 0.868 E C 0.800 S C 0.506 K C 0.482 P C 0.725 V C 0.661 L C 0.833 H C 0.999 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 06:34:18 2002 Date: Sat, 15 Jun 2002 06:34:12 -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 Sat Jun 15 06:07:44 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_188085_10748 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0129 AUTHOR 5144-8387-2760 # Reading MODEL 1 G T 0.524 # ERROR! Check the line NB = 35 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0129 AUTHOR 5144-8387-2760 METHOD CAFASP METHOD samt02_stride METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0129.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 6 METHOD MODEL 1 M C 0.855 L C 0.670 I C 0.521 S C 0.422 H H 0.509 S H 0.609 D H 0.852 L H 0.934 N H 0.938 Q H 0.940 Q H 0.944 L H 0.926 K H 0.859 S H 0.833 A H 0.755 G C 0.591 I C 0.550 G C 0.655 F C 0.654 N C 0.826 A H 0.958 T H 0.981 E H 0.978 L H 0.980 H H 0.978 G H 0.920 F H 0.924 L H 0.902 S H 0.835 G H 0.467 L H 0.395 L H 0.377 C C 0.290 G C 0.502 G T 0.524 L T 0.603 K T 0.565 D T 0.408 Q H 0.496 S H 0.708 W H 0.929 L H 0.964 P H 0.972 L H 0.977 L H 0.971 Y H 0.957 Q H 0.941 F H 0.896 S H 0.611 N H 0.402 D T 0.482 N T 0.533 H T 0.443 A C 0.415 Y C 0.472 P H 0.383 T H 0.669 G H 0.782 L H 0.911 V H 0.951 Q H 0.940 P H 0.955 V H 0.961 T H 0.969 E H 0.968 L H 0.970 Y H 0.968 E H 0.967 Q H 0.961 I H 0.925 S H 0.860 Q H 0.838 T H 0.822 L H 0.780 S H 0.671 D H 0.387 V T 0.605 E T 0.584 G T 0.507 F E 0.755 T E 0.947 F E 0.984 E E 0.976 L E 0.950 G E 0.863 L E 0.588 T T 0.577 E T 0.806 D T 0.962 E T 0.950 N T 0.661 V T 0.401 F H 0.547 T H 0.571 Q H 0.865 A H 0.962 D H 0.965 S H 0.977 L H 0.989 S H 0.990 D H 0.980 W H 0.971 A H 0.970 N H 0.928 Q H 0.920 F H 0.883 L H 0.861 L H 0.799 G H 0.651 I H 0.464 G C 0.370 L T 0.374 A T 0.354 Q T 0.414 P T 0.353 E T 0.355 L T 0.349 A T 0.380 K T 0.416 E H 0.387 K H 0.482 G H 0.510 E H 0.766 I H 0.981 G H 0.985 E H 0.983 A H 0.990 V H 0.991 D H 0.985 D H 0.981 L H 0.993 Q H 0.990 D H 0.985 I H 0.986 C H 0.967 Q H 0.947 L H 0.858 G C 0.747 Y C 0.674 D T 0.740 E T 0.802 D T 0.776 D T 0.740 N C 0.593 E H 0.839 E H 0.880 E H 0.896 L H 0.956 A H 0.977 E H 0.969 A H 0.980 L H 0.992 E H 0.996 E H 0.995 I H 0.994 I H 0.999 E H 0.998 Y H 1.000 V H 1.000 R H 1.000 T H 1.000 I H 1.000 A H 1.000 M H 0.999 L H 0.997 F H 0.988 Y H 0.952 S H 0.880 H H 0.821 F H 0.374 N C 0.555 E C 0.592 G C 0.624 E C 0.650 I C 0.598 E C 0.650 S C 0.519 K C 0.624 P C 0.647 V C 0.613 L C 0.714 H C 0.955 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:00:08 2002 Date: Tue, 16 Jul 2002 19:00:02 -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 Tue Jul 16 18:33:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_446971_12185 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0129SS389_1 Current information on models submitted in prediction T0129SS389 MODEL_INDEX PIN CODE DATE E-mail T0129SS389_1 PIN_446971_12185 1549-8716-6404 07/16/02 18:33:06 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 T0129 MODEL_INDEX PIN CODE DATE E-mail T0129SS389_1 PIN_446971_12185 1549-8716-6404 07/16/02 18:33:06 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 T0129 AUTHOR 1549-8716-6404 # 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: 182 # Number of residues with nonzero confidence: 182 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0129 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0129.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0129.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from preds/T0129.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0129 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0129.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 6 METHOD METHOD ============================================ METHOD Comments from preds/T0129.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0129 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0129.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 6 METHOD METHOD ============================================ MODEL 1 M C 0.96 L C 0.81 I C 0.75 S C 0.67 H H 0.50 S H 0.77 D H 0.88 L H 0.93 N H 0.94 Q H 0.93 Q H 0.93 L H 0.90 K H 0.84 S H 0.77 A H 0.64 G C 0.81 I C 0.84 G C 0.80 F C 0.87 N C 0.91 A H 0.93 T H 0.93 E H 0.95 L H 0.95 H H 0.91 G H 0.88 F H 0.89 L H 0.87 S H 0.75 G H 0.52 L H 0.49 L H 0.39 C C 0.59 G C 0.83 G C 0.89 L C 0.80 K C 0.82 D C 0.61 Q H 0.59 S H 0.73 W H 0.94 L H 0.95 P H 0.96 L H 0.96 L H 0.96 Y H 0.95 Q H 0.93 F H 0.84 S H 0.54 N C 0.64 D C 0.73 N C 0.83 H C 0.84 A C 0.77 Y C 0.79 P H 0.53 T H 0.78 G H 0.84 L H 0.87 V H 0.88 Q H 0.88 P H 0.91 V H 0.94 T H 0.95 E H 0.95 L H 0.95 Y H 0.96 E H 0.95 Q H 0.95 I H 0.93 S H 0.91 Q H 0.88 T H 0.83 L H 0.70 S H 0.60 D C 0.59 V C 0.80 E C 0.87 G C 0.68 F E 0.75 T E 0.94 F E 0.96 E E 0.96 L E 0.94 G E 0.86 L E 0.54 T C 0.79 E C 0.92 D C 0.95 E C 0.93 N C 0.83 V C 0.47 F H 0.57 T H 0.63 Q H 0.80 A H 0.87 D H 0.89 S H 0.91 L H 0.96 S H 0.96 D H 0.96 W H 0.96 A H 0.95 N H 0.93 Q H 0.92 F H 0.91 L H 0.88 L H 0.80 G H 0.65 I H 0.49 G C 0.69 L C 0.66 A C 0.70 Q C 0.50 P H 0.61 E H 0.60 L H 0.67 A H 0.60 K H 0.57 E H 0.60 K H 0.60 G H 0.63 E H 0.83 I H 0.95 G H 0.96 E H 0.96 A H 0.96 V H 0.96 D H 0.95 D H 0.94 L H 0.97 Q H 0.97 D H 0.96 I H 0.96 C H 0.95 Q H 0.82 L H 0.57 G C 0.88 Y C 0.91 D C 0.89 E C 0.55 D C 0.60 D C 0.62 N C 0.71 E H 0.88 E H 0.88 E H 0.89 L H 0.92 A H 0.92 E H 0.92 A H 0.91 L H 0.94 E H 0.96 E H 0.96 I H 0.97 I H 0.97 E H 0.97 Y H 0.97 V H 0.97 R H 0.97 T H 0.97 I H 0.97 A H 0.97 M H 0.97 L H 0.96 F H 0.93 Y H 0.88 S H 0.78 H H 0.69 F C 0.62 N C 0.90 E C 0.93 G C 0.90 E C 0.88 I C 0.88 E C 0.90 S C 0.86 K C 0.90 P C 0.90 V C 0.85 L C 0.89 H C 0.98 END ################################ # # # END # # # ################################