From mailer@bialko.llnl.gov Wed Jul 17 08:30:28 2002 Date: Wed, 17 Jul 2002 08:30:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 17 08:03:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_150124_12245 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156SS389_1 Current information on models submitted in prediction T0156SS389 MODEL_INDEX PIN CODE DATE E-mail T0156SS389_1 PIN_150124_12245 1549-8716-6404 07/17/02 08:03:32 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156SS389_1 PIN_150124_12245 1549-8716-6404 07/17/02 08:03:32 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 T0156 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: 157 # Number of residues with nonzero confidence: 157 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0156 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0156.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0156.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0156.t2k.str.rdb (weight 1.53983) 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 T0156.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0156 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 T0156.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 47 METHOD METHOD ============================================ METHOD Comments from T0156.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0156 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 T0156.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 47 METHOD METHOD ============================================ METHOD Comments from T0156.t2k.str.rdb METHOD ============================================ METHOD TARGET T0156 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0156.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 47 METHOD METHOD ============================================ MODEL 1 M C 0.88 A C 0.70 I C 0.62 S C 0.61 F C 0.67 R C 0.80 P C 0.87 T H 0.52 A H 0.77 D H 0.82 L H 0.89 V H 0.86 D H 0.86 D H 0.82 I H 0.74 G H 0.60 P H 0.58 D H 0.55 V C 0.52 R C 0.57 S C 0.48 C C 0.51 D C 0.56 L C 0.54 Q C 0.53 F C 0.55 R C 0.65 Q C 0.69 F C 0.76 G C 0.81 G C 0.85 R C 0.83 S C 0.63 Q E 0.57 F E 0.73 A E 0.72 G E 0.65 P E 0.73 I E 0.87 S E 0.95 T E 0.96 V E 0.95 R E 0.92 C E 0.72 F C 0.77 Q C 0.92 D C 0.90 N C 0.76 A H 0.58 L H 0.71 L H 0.85 K H 0.89 S H 0.89 V H 0.92 L H 0.92 S H 0.87 Q H 0.68 P C 0.80 S C 0.92 A C 0.93 G C 0.94 G C 0.62 V E 0.93 L E 0.97 V E 0.97 I E 0.94 D C 0.51 G C 0.92 A C 0.96 G C 0.93 S C 0.83 L C 0.43 H H 0.48 T H 0.68 A H 0.71 L H 0.69 V H 0.85 G H 0.92 D H 0.95 V H 0.97 I H 0.97 A H 0.97 E H 0.97 L H 0.97 A H 0.97 R H 0.97 S H 0.92 T C 0.61 G C 0.98 W C 0.93 T C 0.57 G E 0.95 L E 0.98 I E 0.98 V E 0.95 H E 0.49 G C 0.77 A C 0.58 V C 0.47 R C 0.60 D C 0.72 A H 0.92 A H 0.94 A H 0.95 L H 0.95 R H 0.89 G H 0.67 I C 0.65 D C 0.95 I C 0.91 G C 0.70 I E 0.64 K E 0.75 A E 0.70 L E 0.53 G C 0.59 T C 0.59 N C 0.70 P C 0.75 R C 0.73 K C 0.72 S C 0.68 T C 0.64 K C 0.62 T C 0.71 G C 0.73 A C 0.70 G C 0.63 E C 0.55 R C 0.55 D C 0.60 V E 0.51 E E 0.68 I E 0.91 T E 0.91 L E 0.76 G C 0.82 G C 0.81 V E 0.57 T E 0.80 F E 0.72 V C 0.71 P C 0.90 G C 0.90 D C 0.52 I E 0.93 A E 0.97 Y E 0.97 S E 0.95 D E 0.53 D C 0.88 D C 0.93 G C 0.70 I E 0.75 I E 0.93 V E 0.88 V C 0.85 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 03:05:18 2002 Date: Wed, 7 Aug 2002 03:05:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:37:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_494426_18947 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS189_1 Current information on models submitted in prediction T0156TS189 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_1 PIN_494426_18947 5035-2079-5263 08/07/02 02:37:17 casp5@bialko.llnl.gov T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_1 PIN_494426_18947 5035-2079-5263 08/07/02 02:37:17 casp5@bialko.llnl.gov T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1GPJ_A # Loading PARENT structure: 1gpj (chain: A) # Number of residues in PARENT structure: 399 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 48 # Total number of atoms in model: 48 # Number of atoms with 1.0 occupancy: 48 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 48 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1GPJ_A ATOM 157 CA LEU 50 84.323 81.778 59.757 1.00 1.00 ATOM 158 CA LEU 51 87.870 81.897 58.297 1.00 1.00 ATOM 159 CA LYS 52 86.751 83.984 55.402 1.00 1.00 ATOM 160 CA SER 53 84.997 86.437 57.694 1.00 1.00 ATOM 161 CA VAL 54 87.992 86.633 60.084 1.00 1.00 ATOM 162 CA LEU 55 90.761 86.619 57.593 1.00 1.00 ATOM 163 CA SER 56 89.449 87.353 54.119 1.00 1.00 ATOM 164 CA GLN 57 90.586 85.431 51.077 1.00 1.00 ATOM 165 CA PRO 58 92.177 82.159 52.124 1.00 1.00 ATOM 166 CA SER 59 94.092 81.410 48.866 1.00 1.00 ATOM 167 CA ALA 60 97.405 82.799 50.133 1.00 1.00 ATOM 168 CA GLY 61 96.989 81.633 53.743 1.00 1.00 ATOM 169 CA GLY 62 98.806 78.839 55.578 1.00 1.00 ATOM 170 CA VAL 63 96.908 76.330 57.670 1.00 1.00 ATOM 171 CA LEU 64 98.472 74.667 60.726 1.00 1.00 ATOM 172 CA VAL 65 96.835 71.436 61.828 1.00 1.00 ATOM 173 CA ILE 66 97.791 70.204 65.303 1.00 1.00 ATOM 174 CA ASP 67 96.619 66.721 66.183 1.00 1.00 ATOM 175 CA GLY 68 94.609 63.987 64.494 1.00 1.00 ATOM 176 CA ALA 75 91.070 64.298 65.926 1.00 1.00 ATOM 177 CA LEU 76 88.573 63.452 63.150 1.00 1.00 ATOM 178 CA VAL 77 86.646 66.708 63.350 1.00 1.00 ATOM 179 CA GLY 78 90.057 68.425 62.946 1.00 1.00 ATOM 180 CA ASP 79 90.679 66.413 59.790 1.00 1.00 ATOM 181 CA VAL 80 87.224 67.422 58.493 1.00 1.00 ATOM 182 CA ILE 81 87.870 71.118 59.083 1.00 1.00 ATOM 183 CA ALA 82 91.292 70.990 57.454 1.00 1.00 ATOM 184 CA GLU 83 89.955 69.175 54.342 1.00 1.00 ATOM 185 CA LEU 84 87.249 71.879 53.927 1.00 1.00 ATOM 186 CA ALA 85 89.872 74.615 54.169 1.00 1.00 ATOM 187 CA ARG 86 92.018 72.771 51.632 1.00 1.00 ATOM 188 CA SER 87 89.026 72.325 49.283 1.00 1.00 ATOM 189 CA THR 88 88.248 76.007 49.500 1.00 1.00 ATOM 190 CA GLY 89 91.860 76.866 48.495 1.00 1.00 ATOM 191 CA TRP 90 94.842 77.686 50.773 1.00 1.00 ATOM 192 CA THR 91 98.559 78.113 50.015 1.00 1.00 ATOM 193 CA GLY 92 100.092 75.556 52.370 1.00 1.00 ATOM 194 CA LEU 93 99.120 73.148 55.155 1.00 1.00 ATOM 195 CA ILE 94 101.534 72.308 58.010 1.00 1.00 ATOM 196 CA VAL 95 100.729 69.219 60.082 1.00 1.00 ATOM 197 CA HIS 96 102.034 68.529 63.585 1.00 1.00 ATOM 198 CA GLY 97 101.379 65.720 66.047 1.00 1.00 ATOM 199 CA ALA 98 102.977 64.468 69.283 1.00 1.00 ATOM 200 CA VAL 99 103.678 61.286 67.249 1.00 1.00 ATOM 201 CA ARG 100 105.521 62.293 64.071 1.00 1.00 ATOM 202 CA ASP 101 104.203 59.357 62.139 1.00 1.00 ATOM 203 CA ALA 102 100.551 60.395 62.770 1.00 1.00 ATOM 204 CA ALA 103 101.591 63.733 61.185 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:59:29 2002 Date: Wed, 7 Aug 2002 02:59:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:31:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_440817_18929 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS189_2 Current information on models submitted in prediction T0156TS189 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1LDG # Loading PARENT structure: 1ldg (chain: ) # Number of residues in PARENT structure: 304 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue R 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue T 125 # IMPORTANT NOTE! Not complete main chain atoms for residue G 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue T 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue P 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 81 # Total number of atoms in model: 81 # Number of atoms with 1.0 occupancy: 81 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 81 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1LDG ATOM 18 CA PRO 58 48.278 3.940 23.898 1.00 1.00 ATOM 19 CA SER 59 44.653 2.615 24.122 1.00 1.00 ATOM 20 CA ALA 60 44.253 4.355 27.494 1.00 1.00 ATOM 21 CA GLY 61 41.292 6.726 27.313 1.00 1.00 ATOM 22 CA GLY 62 41.996 10.415 26.735 1.00 1.00 ATOM 23 CA VAL 63 39.743 12.597 28.921 1.00 1.00 ATOM 24 CA LEU 64 39.548 16.289 28.123 1.00 1.00 ATOM 25 CA VAL 65 38.268 18.539 30.857 1.00 1.00 ATOM 26 CA ILE 66 37.057 21.661 29.058 1.00 1.00 ATOM 27 CA ASP 67 37.223 24.017 32.029 1.00 1.00 ATOM 28 CA GLY 68 39.890 23.660 34.698 1.00 1.00 ATOM 29 CA ALA 75 38.263 25.411 37.633 1.00 1.00 ATOM 30 CA LEU 76 37.134 23.963 40.960 1.00 1.00 ATOM 31 CA VAL 77 35.152 21.035 39.514 1.00 1.00 ATOM 32 CA GLY 78 37.844 20.445 36.875 1.00 1.00 ATOM 33 CA ASP 79 40.470 20.216 39.604 1.00 1.00 ATOM 35 CA VAL 80 38.594 17.626 41.649 1.00 1.00 ATOM 36 CA ILE 81 37.813 15.602 38.504 1.00 1.00 ATOM 37 CA ALA 82 41.501 15.400 37.520 1.00 1.00 ATOM 38 CA GLU 83 42.342 14.303 41.091 1.00 1.00 ATOM 39 CA LEU 84 39.677 11.543 41.043 1.00 1.00 ATOM 40 CA ALA 85 40.608 10.354 37.540 1.00 1.00 ATOM 41 CA ARG 86 44.202 9.749 38.748 1.00 1.00 ATOM 42 CA SER 87 43.020 8.067 41.983 1.00 1.00 ATOM 43 CA THR 88 40.995 5.680 39.859 1.00 1.00 ATOM 44 CA GLY 89 43.536 5.414 37.007 1.00 1.00 ATOM 45 CA TRP 90 40.726 6.168 34.507 1.00 1.00 ATOM 46 CA THR 91 42.886 7.548 31.719 1.00 1.00 ATOM 47 CA GLY 92 45.042 10.441 30.565 1.00 1.00 ATOM 49 CA LEU 93 43.760 13.909 31.477 1.00 1.00 ATOM 50 CA ILE 94 43.873 17.261 29.756 1.00 1.00 ATOM 51 CA VAL 95 42.956 20.267 31.858 1.00 1.00 ATOM 52 CA HIS 96 41.963 22.789 29.213 1.00 1.00 ATOM 53 CA GLY 97 41.106 26.359 30.105 1.00 1.00 ATOM 54 CA ALA 98 40.999 29.864 28.711 1.00 1.00 ATOM 55 CA VAL 99 43.126 31.130 31.633 1.00 1.00 ATOM 56 CA ARG 100 46.819 31.125 30.834 1.00 1.00 ATOM 57 CA ASP 101 49.169 28.867 32.853 1.00 1.00 ATOM 58 CA ALA 102 46.710 27.925 35.650 1.00 1.00 ATOM 59 CA ALA 103 45.750 24.567 33.954 1.00 1.00 ATOM 60 CA ALA 104 49.469 23.737 33.675 1.00 1.00 ATOM 61 CA LEU 105 49.959 24.451 37.363 1.00 1.00 ATOM 62 CA ARG 106 47.014 22.285 38.413 1.00 1.00 ATOM 63 CA GLY 107 48.072 19.523 36.029 1.00 1.00 ATOM 64 CA ILE 108 51.640 19.487 37.387 1.00 1.00 ATOM 65 CA ASP 109 50.379 19.347 40.992 1.00 1.00 ATOM 69 CA ILE 110 49.680 11.943 42.810 1.00 1.00 ATOM 70 CA GLY 111 50.281 9.108 40.353 1.00 1.00 ATOM 71 CA ILE 112 52.968 8.027 42.810 1.00 1.00 ATOM 72 CA LYS 113 50.711 7.993 45.874 1.00 1.00 ATOM 0 CA ALA 114 47.893 6.379 43.869 1.00 1.00 ATOM 0 CA LEU 115 49.962 3.632 42.151 1.00 1.00 ATOM 74 CA GLY 116 48.509 4.915 38.859 1.00 1.00 ATOM 75 CA THR 117 49.876 5.887 35.481 1.00 1.00 ATOM 76 CA ASN 118 47.763 8.695 34.056 1.00 1.00 ATOM 77 CA PRO 119 49.329 11.629 32.240 1.00 1.00 ATOM 78 CA ARG 120 47.885 14.970 33.389 1.00 1.00 ATOM 79 CA LYS 121 48.537 17.929 31.071 1.00 1.00 ATOM 83 CA SER 122 45.132 26.618 26.451 1.00 1.00 ATOM 84 CA THR 123 44.727 25.145 22.933 1.00 1.00 ATOM 85 CA LYS 124 41.348 23.905 21.676 1.00 1.00 ATOM 86 CA THR 125 42.969 21.505 19.209 1.00 1.00 ATOM 87 CA GLY 126 43.994 19.352 22.170 1.00 1.00 ATOM 88 CA ALA 127 40.426 18.031 21.950 1.00 1.00 ATOM 89 CA GLY 128 41.686 15.903 19.038 1.00 1.00 ATOM 90 CA GLU 129 41.667 12.220 19.962 1.00 1.00 ATOM 91 CA ARG 130 39.473 12.766 23.032 1.00 1.00 ATOM 92 CA ASP 131 37.410 9.756 24.160 1.00 1.00 ATOM 93 CA VAL 132 35.491 11.689 26.804 1.00 1.00 ATOM 94 CA GLU 133 34.963 15.460 26.991 1.00 1.00 ATOM 95 CA ILE 134 33.648 16.994 30.231 1.00 1.00 ATOM 96 CA THR 135 32.412 20.576 29.930 1.00 1.00 ATOM 97 CA LEU 136 32.442 22.779 33.045 1.00 1.00 ATOM 98 CA GLY 137 33.549 25.904 31.157 1.00 1.00 ATOM 99 CA GLY 138 31.583 28.998 32.204 1.00 1.00 ATOM 100 CA VAL 139 30.423 30.990 35.250 1.00 1.00 ATOM 101 CA THR 140 29.164 29.777 38.635 1.00 1.00 ATOM 102 CA PHE 141 27.258 32.998 39.320 1.00 1.00 ATOM 0 CA VAL 142 26.254 36.273 37.620 1.00 1.00 ATOM 0 CA PRO 143 28.868 39.073 38.248 1.00 1.00 ATOM 0 CA GLY 144 26.694 41.455 40.294 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:58:29 2002 Date: Wed, 7 Aug 2002 02:58:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:30:55 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_429880_18926 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS189_3 Current information on models submitted in prediction T0156TS189 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1JA9_A # Loading PARENT structure: 1ja9 (chain: A) # Number of residues in PARENT structure: 259 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue R 43 # IMPORTANT NOTE! Not complete main chain atoms for residue C 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue R 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 73 # Total number of atoms in model: 73 # Number of atoms with 1.0 occupancy: 73 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 73 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1JA9_A ATOM 24 CA ARG 32 71.553 27.243 2.899 1.00 1.00 ATOM 25 CA SER 33 70.583 24.936 5.773 1.00 1.00 ATOM 26 CA GLN 34 70.726 21.309 4.577 1.00 1.00 ATOM 27 CA PHE 35 71.210 20.074 8.163 1.00 1.00 ATOM 28 CA ALA 36 68.277 22.020 9.626 1.00 1.00 ATOM 29 CA GLY 37 66.624 20.206 12.517 1.00 1.00 ATOM 30 CA PRO 38 69.521 17.806 13.051 1.00 1.00 ATOM 31 CA ILE 39 71.630 17.448 16.193 1.00 1.00 ATOM 32 CA SER 40 75.428 16.912 16.082 1.00 1.00 ATOM 33 CA THR 41 77.915 16.018 18.813 1.00 1.00 ATOM 34 CA VAL 42 81.632 16.790 18.167 1.00 1.00 ATOM 35 CA ARG 43 84.331 15.586 20.570 1.00 1.00 ATOM 36 CA CYS 44 87.115 18.120 21.196 1.00 1.00 ATOM 37 CA PHE 45 85.187 20.932 19.490 1.00 1.00 ATOM 38 CA GLN 46 86.599 23.798 21.564 1.00 1.00 ATOM 39 CA ASP 47 89.466 24.384 19.139 1.00 1.00 ATOM 40 CA ASN 48 91.263 23.099 16.046 1.00 1.00 ATOM 41 CA ALA 49 89.520 20.810 13.563 1.00 1.00 ATOM 42 CA LEU 50 86.778 19.999 16.072 1.00 1.00 ATOM 43 CA LEU 51 85.848 23.663 16.261 1.00 1.00 ATOM 44 CA LYS 52 85.897 24.015 12.465 1.00 1.00 ATOM 45 CA SER 53 83.560 21.016 12.147 1.00 1.00 ATOM 46 CA VAL 54 81.174 22.328 14.819 1.00 1.00 ATOM 47 CA LEU 55 81.025 25.705 13.095 1.00 1.00 ATOM 48 CA SER 56 80.446 24.375 9.600 1.00 1.00 ATOM 49 CA GLN 57 77.704 21.991 10.800 1.00 1.00 ATOM 50 CA PRO 58 76.018 24.802 12.736 1.00 1.00 ATOM 51 CA SER 59 76.358 27.183 9.782 1.00 1.00 ATOM 52 CA ALA 60 74.220 24.611 7.887 1.00 1.00 ATOM 53 CA GLY 61 71.468 24.234 10.463 1.00 1.00 ATOM 54 CA GLY 62 72.633 21.655 13.010 1.00 1.00 ATOM 55 CA VAL 63 72.385 22.214 16.754 1.00 1.00 ATOM 56 CA LEU 64 75.810 21.236 18.142 1.00 1.00 ATOM 57 CA VAL 65 77.054 19.652 21.337 1.00 1.00 ATOM 58 CA ILE 66 80.542 21.124 21.749 1.00 1.00 ATOM 59 CA ASP 67 82.465 18.634 23.851 1.00 1.00 ATOM 60 CA GLY 68 85.754 19.680 25.418 1.00 1.00 ATOM 61 CA ALA 69 88.222 17.954 27.669 1.00 1.00 ATOM 62 CA GLY 70 89.689 20.918 29.460 1.00 1.00 ATOM 63 CA SER 71 89.333 23.941 27.178 1.00 1.00 ATOM 64 CA LEU 72 86.142 25.254 28.772 1.00 1.00 ATOM 65 CA HIS 73 86.698 28.844 27.677 1.00 1.00 ATOM 66 CA THR 74 87.374 27.930 24.040 1.00 1.00 ATOM 67 CA ALA 75 84.286 25.738 24.010 1.00 1.00 ATOM 68 CA ASP 79 81.972 28.548 25.238 1.00 1.00 ATOM 69 CA VAL 80 83.592 30.761 22.607 1.00 1.00 ATOM 70 CA ILE 81 82.519 28.206 19.972 1.00 1.00 ATOM 71 CA ALA 82 78.976 28.124 21.406 1.00 1.00 ATOM 72 CA GLU 83 79.038 31.910 21.099 1.00 1.00 ATOM 73 CA LEU 84 80.287 31.744 17.485 1.00 1.00 ATOM 74 CA ALA 85 77.494 29.283 16.733 1.00 1.00 ATOM 75 CA ARG 86 74.900 31.676 18.189 1.00 1.00 ATOM 76 CA SER 87 76.203 34.494 16.000 1.00 1.00 ATOM 77 CA THR 88 75.583 32.130 13.024 1.00 1.00 ATOM 78 CA GLY 89 72.067 31.471 14.271 1.00 1.00 ATOM 79 CA TRP 90 72.893 27.943 15.414 1.00 1.00 ATOM 80 CA THR 91 72.185 26.403 18.809 1.00 1.00 ATOM 81 CA GLY 92 75.034 24.870 20.806 1.00 1.00 ATOM 82 CA LEU 93 76.026 23.705 24.275 1.00 1.00 ATOM 83 CA ILE 94 79.462 23.079 25.804 1.00 1.00 ATOM 84 CA VAL 95 79.733 19.806 27.719 1.00 1.00 ATOM 85 CA HIS 96 82.943 18.664 29.445 1.00 1.00 ATOM 86 CA GLY 97 83.955 15.031 29.207 1.00 1.00 ATOM 87 CA ALA 98 87.334 13.309 29.289 1.00 1.00 ATOM 88 CA VAL 99 87.161 11.185 26.124 1.00 1.00 ATOM 89 CA ARG 100 89.982 8.898 27.322 1.00 1.00 ATOM 90 CA ASP 101 87.574 7.606 30.051 1.00 1.00 ATOM 91 CA ALA 102 84.713 5.433 28.736 1.00 1.00 ATOM 92 CA ALA 103 82.336 6.211 31.625 1.00 1.00 ATOM 93 CA ALA 104 82.672 9.941 30.821 1.00 1.00 ATOM 94 CA LEU 105 81.914 9.282 27.137 1.00 1.00 ATOM 95 CA ARG 106 78.712 7.574 28.233 1.00 1.00 ATOM 96 CA GLY 107 77.912 10.549 30.533 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 03:05:29 2002 Date: Wed, 7 Aug 2002 03:05:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:37:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_495524_18948 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS189_4 Current information on models submitted in prediction T0156TS189 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_4 PIN_495524_18948 5035-2079-5263 08/07/02 02:37:34 casp5@bialko.llnl.gov T0156TS189_1 PIN_494426_18947 5035-2079-5263 08/07/02 02:37:17 casp5@bialko.llnl.gov T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS189_1 PIN_494426_18947 5035-2079-5263 08/07/02 02:37:17 casp5@bialko.llnl.gov T0156TS189_2 PIN_440817_18929 5035-2079-5263 08/07/02 02:31:59 casp5@bialko.llnl.gov T0156TS189_3 PIN_429880_18926 5035-2079-5263 08/07/02 02:30:55 casp5@bialko.llnl.gov T0156TS189_4 PIN_495524_18948 5035-2079-5263 08/07/02 02:37:34 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 T0156 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1BVP_1 # Loading PARENT structure: 1bvp (chain: 1) # Number of residues in PARENT structure: 349 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue T 125 # IMPORTANT NOTE! Not complete main chain atoms for residue G 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue T 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue P 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue S 149 # IMPORTANT NOTE! Not complete main chain atoms for residue D 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue D 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 39 # Total number of atoms in model: 39 # Number of atoms with 1.0 occupancy: 39 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 39 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1BVP_1 ATOM 193 CA THR 117 -22.395 49.113 109.520 1.00 1.00 ATOM 194 CA ASN 118 -23.370 52.324 107.734 1.00 1.00 ATOM 195 CA PRO 119 -23.497 53.788 104.231 1.00 1.00 ATOM 196 CA ARG 120 -20.914 56.316 103.092 1.00 1.00 ATOM 197 CA LYS 121 -22.142 59.205 100.881 1.00 1.00 ATOM 198 CA SER 122 -21.079 57.166 97.874 1.00 1.00 ATOM 199 CA THR 123 -22.992 54.087 98.900 1.00 1.00 ATOM 200 CA LYS 124 -20.299 51.797 100.197 1.00 1.00 ATOM 201 CA THR 125 -20.391 50.239 103.660 1.00 1.00 ATOM 202 CA GLY 126 -18.175 51.426 106.487 1.00 1.00 ATOM 203 CA ALA 127 -17.720 50.157 110.085 1.00 1.00 ATOM 204 CA GLY 128 -17.614 52.035 113.358 1.00 1.00 ATOM 205 CA GLU 129 -14.559 50.957 115.381 1.00 1.00 ATOM 206 CA ARG 130 -14.977 50.419 119.122 1.00 1.00 ATOM 207 CA ASP 131 -13.616 53.353 121.094 1.00 1.00 ATOM 208 CA VAL 132 -16.242 56.009 120.457 1.00 1.00 ATOM 209 CA GLU 133 -17.552 57.647 123.605 1.00 1.00 ATOM 210 CA ILE 134 -20.640 59.580 124.701 1.00 1.00 ATOM 211 CA THR 135 -20.517 61.574 127.916 1.00 1.00 ATOM 212 CA LEU 136 -23.227 63.477 129.763 1.00 1.00 ATOM 213 CA GLY 137 -22.205 66.482 131.825 1.00 1.00 ATOM 214 CA GLY 138 -18.591 65.291 131.705 1.00 1.00 ATOM 215 CA VAL 139 -19.265 61.754 132.908 1.00 1.00 ATOM 216 CA THR 140 -18.845 58.764 130.611 1.00 1.00 ATOM 217 CA PHE 141 -21.904 56.750 129.664 1.00 1.00 ATOM 218 CA VAL 142 -21.931 53.150 128.385 1.00 1.00 ATOM 219 CA PRO 143 -23.796 52.247 125.239 1.00 1.00 ATOM 220 CA GLY 144 -26.986 50.222 125.465 1.00 1.00 ATOM 221 CA ASP 145 -28.038 51.372 128.927 1.00 1.00 ATOM 222 CA ILE 146 -30.730 53.935 129.747 1.00 1.00 ATOM 223 CA ALA 147 -29.465 57.363 130.633 1.00 1.00 ATOM 224 CA TYR 148 -31.445 59.914 132.588 1.00 1.00 ATOM 225 CA SER 149 -30.549 63.225 130.998 1.00 1.00 ATOM 226 CA ASP 150 -31.889 66.594 132.135 1.00 1.00 ATOM 227 CA ASP 151 -31.674 68.058 128.670 1.00 1.00 ATOM 228 CA ASP 152 -29.291 70.829 129.815 1.00 1.00 ATOM 229 CA GLY 153 -25.986 69.090 130.628 1.00 1.00 ATOM 230 CA ILE 154 -23.626 68.753 127.662 1.00 1.00 ATOM 231 CA ILE 155 -24.062 65.692 125.477 1.00 1.00 TER END ################################ # # # END # # # ################################