From mailer@bialko.llnl.gov Mon Aug 19 22:04:08 2002 Date: Mon, 19 Aug 2002 22:04:02 -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 Mon Aug 19 21:35:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_489960_28435 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191SS389_1 Current information on models submitted in prediction T0191SS389 MODEL_INDEX PIN CODE DATE E-mail T0191SS389_1 PIN_489960_28435 1549-8716-6404 08/19/02 21:35:57 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191SS389_1 PIN_489960_28435 1549-8716-6404 08/19/02 21:35:57 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 T0191 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: 282 # Number of residues with nonzero confidence: 282 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0191 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0191.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0191.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0191.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 T0191.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0191 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 T0191.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 175 METHOD METHOD ============================================ METHOD Comments from T0191.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0191 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 T0191.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 175 METHOD METHOD ============================================ METHOD Comments from T0191.t2k.str.rdb METHOD ============================================ METHOD TARGET T0191 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 T0191.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 175 METHOD METHOD ============================================ MODEL 1 M C 0.97 I C 0.88 N C 0.88 A C 0.85 K C 0.83 T C 0.69 K E 0.55 V E 0.80 I E 0.89 G E 0.90 L E 0.89 I E 0.67 G C 0.67 H C 0.81 P C 0.78 V C 0.65 E C 0.67 H C 0.71 S C 0.82 F C 0.85 S C 0.87 P H 0.77 I H 0.87 M H 0.92 H H 0.95 N H 0.95 A H 0.96 A H 0.96 F H 0.96 K H 0.96 D H 0.92 K H 0.57 G C 0.95 L C 0.93 N C 0.82 Y E 0.46 V E 0.69 Y E 0.75 V E 0.66 A E 0.47 F C 0.48 D C 0.50 V C 0.68 L C 0.84 P H 0.70 E H 0.73 N H 0.81 L H 0.92 K H 0.96 Y H 0.96 V H 0.97 I H 0.97 D H 0.96 G H 0.94 A H 0.92 K H 0.88 A H 0.68 L C 0.72 G C 0.96 I C 0.83 V C 0.69 G C 0.49 F E 0.70 N E 0.79 V E 0.73 T E 0.56 I C 0.55 P C 0.57 H H 0.46 K H 0.70 I H 0.88 E H 0.89 I H 0.89 M H 0.90 K H 0.87 Y H 0.87 L H 0.84 D H 0.75 E H 0.62 I C 0.55 D C 0.67 K H 0.94 D H 0.94 A H 0.94 Q H 0.92 L H 0.85 I H 0.53 G C 0.77 A C 0.65 V C 0.48 N E 0.52 T E 0.76 I E 0.86 K E 0.89 I E 0.55 E C 0.83 D C 0.94 G C 0.84 K E 0.49 A E 0.71 I E 0.58 G C 0.50 Y C 0.56 N C 0.49 T H 0.43 D H 0.76 G H 0.94 I H 0.97 G H 0.97 A H 0.97 R H 0.98 M H 0.97 A H 0.97 L H 0.96 E H 0.94 E H 0.85 E H 0.59 I C 0.84 G C 0.87 R C 0.85 V C 0.68 K C 0.75 D C 0.82 K C 0.75 N E 0.78 I E 0.98 V E 0.98 I E 0.98 Y E 0.87 G C 0.65 A C 0.85 G C 0.51 G H 0.93 A H 0.96 A H 0.97 R H 0.97 A H 0.97 V H 0.97 A H 0.97 F H 0.97 E H 0.97 L H 0.96 A H 0.91 K H 0.74 D C 0.65 N C 0.96 N C 0.87 I E 0.82 I E 0.95 I E 0.96 A E 0.93 N E 0.69 R C 0.85 T C 0.93 V H 0.87 E H 0.93 K H 0.95 A H 0.96 E H 0.96 A H 0.96 L H 0.95 A H 0.95 K H 0.91 E H 0.86 I H 0.75 A H 0.55 E H 0.51 K C 0.54 L C 0.69 N C 0.71 K C 0.62 K C 0.56 F C 0.51 G C 0.68 E C 0.48 E E 0.52 V C 0.53 K C 0.73 F C 0.51 S H 0.50 G H 0.59 L H 0.77 D H 0.85 V H 0.86 D H 0.82 L H 0.79 D H 0.50 G C 0.73 V C 0.91 D C 0.87 I E 0.95 I E 0.98 I E 0.98 N E 0.94 A E 0.52 T C 0.75 P C 0.82 I C 0.84 G C 0.86 M C 0.86 Y C 0.81 P C 0.78 N C 0.85 I C 0.78 D C 0.78 V C 0.74 E C 0.73 P C 0.69 I C 0.59 V C 0.57 K C 0.58 A H 0.76 E H 0.73 K H 0.70 L H 0.48 R C 0.75 E C 0.87 D C 0.91 M C 0.70 V E 0.88 V E 0.96 M E 0.96 D E 0.92 L E 0.73 I C 0.52 Y C 0.78 N C 0.90 P C 0.87 L C 0.87 E C 0.78 T C 0.61 V H 0.76 L H 0.85 L H 0.92 K H 0.94 E H 0.96 A H 0.96 K H 0.94 K H 0.86 V C 0.57 N C 0.96 A C 0.85 K E 0.65 T E 0.69 I E 0.47 N C 0.71 G C 0.63 L H 0.78 G H 0.85 M H 0.86 L H 0.83 I H 0.89 Y H 0.92 Q H 0.92 G H 0.91 A H 0.94 V H 0.94 A H 0.94 F H 0.94 K H 0.93 I H 0.92 W H 0.86 T H 0.56 G C 0.90 V C 0.92 E C 0.88 P C 0.90 N C 0.90 I H 0.83 E H 0.92 V H 0.95 M H 0.95 K H 0.96 N H 0.96 A H 0.97 I H 0.96 I H 0.95 D H 0.91 K H 0.84 I H 0.65 T C 0.59 K C 0.97 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:20:18 2002 Date: Fri, 23 Aug 2002 15:20:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 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 Fri Aug 23 14:52:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_667955_32540 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS189_1 Current information on models submitted in prediction T0191TS189 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 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 T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 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 T0191 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 S 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue I 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue F 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue M 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue K 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue M 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue P 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue I 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue V 206 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue M 250 # IMPORTANT NOTE! Not complete main chain atoms for residue L 251 # IMPORTANT NOTE! Not complete main chain atoms for residue I 252 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 254 # IMPORTANT NOTE! Not complete main chain atoms for residue G 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue A 258 # IMPORTANT NOTE! Not complete main chain atoms for residue F 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue I 261 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 220 # Total number of atoms in model: 220 # Number of atoms with 1.0 occupancy: 220 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 220 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1GPJ_A ATOM 79 CA SER 21 52.393 61.653 40.797 1.00 1.00 ATOM 80 CA PRO 22 53.399 61.001 44.435 1.00 1.00 ATOM 81 CA ILE 23 56.329 58.845 43.345 1.00 1.00 ATOM 82 CA MET 24 57.628 61.528 40.981 1.00 1.00 ATOM 83 CA HIS 25 56.964 64.227 43.565 1.00 1.00 ATOM 84 CA ASN 26 59.135 62.351 46.100 1.00 1.00 ATOM 85 CA ALA 27 61.933 62.079 43.483 1.00 1.00 ATOM 86 CA ALA 28 61.677 65.804 42.767 1.00 1.00 ATOM 87 CA PHE 29 61.860 66.491 46.530 1.00 1.00 ATOM 88 CA LYS 30 64.948 64.227 46.868 1.00 1.00 ATOM 89 CA ASP 31 66.800 65.846 43.936 1.00 1.00 ATOM 90 CA LYS 32 65.948 69.313 45.206 1.00 1.00 ATOM 91 CA GLY 33 67.487 68.528 48.568 1.00 1.00 ATOM 92 CA LEU 34 64.207 68.629 50.506 1.00 1.00 ATOM 93 CA ASN 35 64.447 65.122 51.898 1.00 1.00 ATOM 94 CA TYR 36 67.947 65.560 53.247 1.00 1.00 ATOM 95 CA VAL 37 69.101 66.309 56.788 1.00 1.00 ATOM 96 CA TYR 38 71.313 68.963 55.375 1.00 1.00 ATOM 97 CA VAL 39 68.491 70.537 53.485 1.00 1.00 ATOM 98 CA ALA 40 69.493 71.557 50.004 1.00 1.00 ATOM 99 CA PHE 41 72.781 69.653 50.037 1.00 1.00 ATOM 100 CA ASP 42 74.595 69.320 46.694 1.00 1.00 ATOM 101 CA VAL 43 75.599 65.714 47.188 1.00 1.00 ATOM 102 CA LEU 44 72.107 64.156 46.863 1.00 1.00 ATOM 103 CA PRO 45 71.739 65.780 43.435 1.00 1.00 ATOM 104 CA GLU 46 75.020 64.191 42.366 1.00 1.00 ATOM 105 CA ASN 47 73.733 60.925 43.780 1.00 1.00 ATOM 106 CA LEU 48 70.477 61.091 41.766 1.00 1.00 ATOM 107 CA LYS 49 72.563 61.689 38.610 1.00 1.00 ATOM 108 CA TYR 50 74.760 58.647 39.429 1.00 1.00 ATOM 109 CA VAL 51 71.669 56.543 39.955 1.00 1.00 ATOM 110 CA ILE 52 70.487 57.687 36.464 1.00 1.00 ATOM 111 CA ASP 53 73.883 56.842 34.888 1.00 1.00 ATOM 112 CA GLY 54 74.170 53.434 36.510 1.00 1.00 ATOM 113 CA ALA 55 70.758 52.540 35.129 1.00 1.00 ATOM 114 CA LYS 56 71.740 53.928 31.720 1.00 1.00 ATOM 115 CA ALA 57 74.773 51.758 31.608 1.00 1.00 ATOM 116 CA LEU 58 73.093 48.524 32.792 1.00 1.00 ATOM 117 CA GLY 59 70.199 48.914 30.372 1.00 1.00 ATOM 118 CA ILE 60 67.396 49.374 32.948 1.00 1.00 ATOM 119 CA VAL 61 66.228 52.777 31.712 1.00 1.00 ATOM 120 CA GLY 62 63.061 53.215 29.645 1.00 1.00 ATOM 121 CA PHE 63 61.813 56.416 27.995 1.00 1.00 ATOM 122 CA ASN 64 59.541 57.171 30.907 1.00 1.00 ATOM 123 CA VAL 65 62.271 57.034 33.572 1.00 1.00 ATOM 124 CA THR 66 64.499 59.043 31.280 1.00 1.00 ATOM 125 CA ILE 67 61.886 61.818 31.182 1.00 1.00 ATOM 126 CA PRO 68 61.313 61.772 34.964 1.00 1.00 ATOM 127 CA MET 74 64.961 61.572 35.996 1.00 1.00 ATOM 128 CA LYS 75 66.080 64.116 33.432 1.00 1.00 ATOM 129 CA TYR 76 63.505 66.510 34.768 1.00 1.00 ATOM 130 CA LEU 77 64.363 65.662 38.335 1.00 1.00 ATOM 131 CA ASP 78 68.012 66.498 37.677 1.00 1.00 ATOM 132 CA GLU 79 67.357 69.769 35.895 1.00 1.00 ATOM 133 CA ILE 80 64.975 70.727 38.680 1.00 1.00 ATOM 134 CA ASP 81 67.508 70.150 41.495 1.00 1.00 ATOM 135 CA LYS 82 69.884 72.487 39.603 1.00 1.00 ATOM 136 CA ASP 83 67.190 75.157 39.109 1.00 1.00 ATOM 137 CA ALA 84 65.968 75.008 42.692 1.00 1.00 ATOM 138 CA GLN 85 69.495 75.596 43.930 1.00 1.00 ATOM 139 CA LEU 86 70.019 78.487 41.483 1.00 1.00 ATOM 140 CA GLU 96 66.646 80.212 41.842 1.00 1.00 ATOM 141 CA ASP 97 66.297 79.834 45.583 1.00 1.00 ATOM 142 CA GLY 98 68.538 79.918 48.608 1.00 1.00 ATOM 143 CA LYS 99 67.861 76.260 49.578 1.00 1.00 ATOM 144 CA ALA 100 71.641 75.398 49.244 1.00 1.00 ATOM 145 CA ILE 101 73.262 78.578 50.498 1.00 1.00 ATOM 146 CA GLY 102 75.148 78.925 53.747 1.00 1.00 ATOM 147 CA TYR 103 77.442 76.530 55.573 1.00 1.00 ATOM 148 CA ASN 104 75.583 73.598 57.194 1.00 1.00 ATOM 149 CA THR 105 78.436 71.404 58.401 1.00 1.00 ATOM 150 CA ASP 106 81.394 72.028 60.737 1.00 1.00 ATOM 151 CA GLY 107 83.875 72.018 57.815 1.00 1.00 ATOM 152 CA ILE 108 81.977 74.480 55.675 1.00 1.00 ATOM 153 CA GLY 109 81.258 76.591 58.767 1.00 1.00 ATOM 154 CA ALA 110 85.010 76.835 59.455 1.00 1.00 ATOM 155 CA ARG 111 85.476 78.152 55.937 1.00 1.00 ATOM 156 CA MET 112 82.783 80.825 56.462 1.00 1.00 ATOM 157 CA ALA 113 84.323 81.778 59.757 1.00 1.00 ATOM 158 CA LEU 114 87.870 81.897 58.297 1.00 1.00 ATOM 159 CA GLU 115 86.751 83.984 55.402 1.00 1.00 ATOM 160 CA GLU 116 84.997 86.437 57.694 1.00 1.00 ATOM 161 CA GLU 117 87.992 86.633 60.084 1.00 1.00 ATOM 162 CA ILE 118 90.761 86.619 57.593 1.00 1.00 ATOM 163 CA GLY 119 89.449 87.353 54.119 1.00 1.00 ATOM 164 CA ARG 120 90.586 85.431 51.077 1.00 1.00 ATOM 165 CA VAL 121 92.177 82.159 52.124 1.00 1.00 ATOM 166 CA LYS 122 94.092 81.410 48.866 1.00 1.00 ATOM 167 CA ASP 123 97.405 82.799 50.133 1.00 1.00 ATOM 168 CA LYS 124 96.989 81.633 53.743 1.00 1.00 ATOM 169 CA ASN 125 98.806 78.839 55.578 1.00 1.00 ATOM 170 CA ILE 126 96.908 76.330 57.670 1.00 1.00 ATOM 171 CA VAL 127 98.472 74.667 60.726 1.00 1.00 ATOM 172 CA ILE 128 96.835 71.436 61.828 1.00 1.00 ATOM 173 CA TYR 129 97.791 70.204 65.303 1.00 1.00 ATOM 174 CA GLY 130 96.619 66.721 66.183 1.00 1.00 ATOM 175 CA ALA 131 94.609 63.987 64.494 1.00 1.00 ATOM 176 CA GLY 132 91.070 64.298 65.926 1.00 1.00 ATOM 177 CA GLY 133 88.573 63.452 63.150 1.00 1.00 ATOM 178 CA ALA 134 86.646 66.708 63.350 1.00 1.00 ATOM 179 CA ALA 135 90.057 68.425 62.946 1.00 1.00 ATOM 180 CA ARG 136 90.679 66.413 59.790 1.00 1.00 ATOM 181 CA ALA 137 87.224 67.422 58.493 1.00 1.00 ATOM 182 CA VAL 138 87.870 71.118 59.083 1.00 1.00 ATOM 183 CA ALA 139 91.292 70.990 57.454 1.00 1.00 ATOM 184 CA PHE 140 89.955 69.175 54.342 1.00 1.00 ATOM 185 CA GLU 141 87.249 71.879 53.927 1.00 1.00 ATOM 186 CA LEU 142 89.872 74.615 54.169 1.00 1.00 ATOM 187 CA ALA 143 92.018 72.771 51.632 1.00 1.00 ATOM 188 CA LYS 144 89.026 72.325 49.283 1.00 1.00 ATOM 189 CA ASP 145 88.248 76.007 49.500 1.00 1.00 ATOM 190 CA ASN 146 91.860 76.866 48.495 1.00 1.00 ATOM 193 CA ASN 147 100.092 75.556 52.370 1.00 1.00 ATOM 194 CA ILE 148 99.120 73.148 55.155 1.00 1.00 ATOM 195 CA ILE 149 101.534 72.308 58.010 1.00 1.00 ATOM 196 CA ILE 150 100.729 69.219 60.082 1.00 1.00 ATOM 197 CA ALA 151 102.034 68.529 63.585 1.00 1.00 ATOM 198 CA ASN 152 101.379 65.720 66.047 1.00 1.00 ATOM 199 CA ARG 153 102.977 64.468 69.283 1.00 1.00 ATOM 200 CA THR 154 103.678 61.286 67.249 1.00 1.00 ATOM 201 CA VAL 155 105.521 62.293 64.071 1.00 1.00 ATOM 202 CA GLU 156 104.203 59.357 62.139 1.00 1.00 ATOM 203 CA LYS 157 100.551 60.395 62.770 1.00 1.00 ATOM 204 CA ALA 158 101.591 63.733 61.185 1.00 1.00 ATOM 205 CA GLU 159 103.227 62.222 58.136 1.00 1.00 ATOM 206 CA ALA 160 100.030 60.289 57.590 1.00 1.00 ATOM 207 CA LEU 161 97.654 63.245 57.797 1.00 1.00 ATOM 208 CA ALA 162 99.884 65.588 55.816 1.00 1.00 ATOM 209 CA LYS 163 99.820 62.977 53.071 1.00 1.00 ATOM 210 CA GLU 164 96.026 62.971 53.158 1.00 1.00 ATOM 211 CA ILE 165 95.807 66.719 53.079 1.00 1.00 ATOM 212 CA ALA 166 98.557 67.268 50.511 1.00 1.00 ATOM 213 CA GLY 174 100.532 69.189 53.140 1.00 1.00 ATOM 214 CA GLU 175 103.845 69.066 54.982 1.00 1.00 ATOM 215 CA GLU 176 104.526 67.160 58.170 1.00 1.00 ATOM 216 CA VAL 177 106.429 69.344 60.630 1.00 1.00 ATOM 217 CA LYS 178 108.006 68.790 64.023 1.00 1.00 ATOM 218 CA PHE 179 105.820 69.268 67.055 1.00 1.00 ATOM 219 CA SER 180 108.652 70.901 69.012 1.00 1.00 ATOM 220 CA GLY 181 108.964 73.645 66.460 1.00 1.00 ATOM 221 CA LEU 182 105.344 74.790 67.202 1.00 1.00 ATOM 222 CA ASP 183 106.437 78.409 67.859 1.00 1.00 ATOM 223 CA VAL 184 107.841 78.848 64.387 1.00 1.00 ATOM 224 CA ASP 185 104.770 77.043 62.922 1.00 1.00 ATOM 225 CA LEU 186 102.479 79.553 64.594 1.00 1.00 ATOM 226 CA ASP 187 104.600 82.404 63.372 1.00 1.00 ATOM 227 CA GLY 188 104.000 81.396 59.791 1.00 1.00 ATOM 228 CA VAL 189 100.372 80.311 59.998 1.00 1.00 ATOM 229 CA ASP 190 97.079 82.180 59.628 1.00 1.00 ATOM 230 CA ILE 191 94.581 79.532 60.563 1.00 1.00 ATOM 231 CA ILE 192 95.308 76.939 63.266 1.00 1.00 ATOM 232 CA ILE 193 93.154 73.854 63.610 1.00 1.00 ATOM 233 CA ASN 194 93.860 72.173 66.922 1.00 1.00 ATOM 234 CA ALA 195 92.392 68.764 67.639 1.00 1.00 ATOM 235 CA THR 196 94.755 66.763 69.793 1.00 1.00 ATOM 236 CA PRO 197 93.731 63.562 71.533 1.00 1.00 ATOM 237 CA ILE 198 95.800 64.027 74.709 1.00 1.00 ATOM 238 CA GLY 199 94.150 66.006 77.516 1.00 1.00 ATOM 239 CA MET 200 96.823 68.667 77.808 1.00 1.00 ATOM 240 CA TYR 201 96.544 72.079 76.168 1.00 1.00 ATOM 241 CA PRO 202 98.992 72.484 73.265 1.00 1.00 ATOM 242 CA ASN 203 98.610 76.146 72.347 1.00 1.00 ATOM 243 CA ILE 204 99.992 78.362 75.097 1.00 1.00 ATOM 244 CA ASP 205 99.931 82.047 75.667 1.00 1.00 ATOM 245 CA VAL 206 103.754 82.273 75.781 1.00 1.00 ATOM 246 CA GLU 207 104.237 80.406 72.525 1.00 1.00 ATOM 247 CA PRO 208 101.720 82.626 70.666 1.00 1.00 ATOM 248 CA ILE 209 103.281 85.860 71.934 1.00 1.00 ATOM 249 CA VAL 210 106.753 84.571 70.958 1.00 1.00 ATOM 250 CA LYS 211 105.447 83.509 67.521 1.00 1.00 ATOM 251 CA ALA 212 103.923 86.963 66.943 1.00 1.00 ATOM 252 CA GLU 213 107.057 88.898 68.019 1.00 1.00 ATOM 253 CA LYS 214 109.013 86.677 65.664 1.00 1.00 ATOM 254 CA LEU 215 107.145 87.813 62.550 1.00 1.00 ATOM 255 CA ARG 216 107.922 91.159 60.938 1.00 1.00 ATOM 258 CA GLU 217 98.251 89.923 60.205 1.00 1.00 ATOM 259 CA ASP 218 95.365 88.212 62.106 1.00 1.00 ATOM 260 CA MET 219 95.618 84.583 63.253 1.00 1.00 ATOM 261 CA VAL 220 92.489 82.463 63.640 1.00 1.00 ATOM 262 CA VAL 221 92.775 79.517 66.033 1.00 1.00 ATOM 263 CA MET 222 90.022 76.921 65.918 1.00 1.00 ATOM 264 CA ASP 223 89.977 74.772 69.041 1.00 1.00 ATOM 265 CA LEU 224 88.272 71.456 68.150 1.00 1.00 ATOM 266 CA ILE 225 89.427 69.478 71.249 1.00 1.00 ATOM 267 CA TYR 226 87.779 68.814 74.519 1.00 1.00 ATOM 268 CA ASN 227 89.222 69.347 76.909 1.00 1.00 ATOM 269 CA PRO 228 90.430 72.489 75.142 1.00 1.00 ATOM 270 CA LEU 229 93.697 72.582 73.230 1.00 1.00 ATOM 271 CA GLU 230 93.999 76.324 73.671 1.00 1.00 ATOM 272 CA THR 231 95.111 77.903 76.951 1.00 1.00 ATOM 273 CA VAL 232 92.682 80.413 78.431 1.00 1.00 ATOM 274 CA LEU 233 93.935 83.937 77.674 1.00 1.00 ATOM 275 CA LEU 234 95.291 83.180 74.185 1.00 1.00 ATOM 276 CA LYS 235 92.167 84.922 72.919 1.00 1.00 ATOM 277 CA GLU 236 93.287 88.230 74.485 1.00 1.00 ATOM 278 CA ALA 237 96.562 88.431 72.559 1.00 1.00 ATOM 279 CA LYS 238 96.397 91.214 70.030 1.00 1.00 ATOM 280 CA LYS 239 95.825 89.935 66.344 1.00 1.00 ATOM 281 CA VAL 240 94.586 86.594 67.678 1.00 1.00 ATOM 282 CA ASN 241 91.121 85.216 67.366 1.00 1.00 ATOM 283 CA ALA 242 90.021 82.026 69.099 1.00 1.00 ATOM 284 CA LYS 243 86.809 80.070 68.224 1.00 1.00 ATOM 285 CA THR 244 85.597 76.544 69.094 1.00 1.00 ATOM 286 CA ILE 245 83.892 73.538 67.627 1.00 1.00 ATOM 287 CA ASN 246 80.832 74.889 69.445 1.00 1.00 ATOM 288 CA GLY 247 81.007 78.180 67.466 1.00 1.00 ATOM 289 CA LEU 248 81.076 76.160 64.270 1.00 1.00 ATOM 290 CA GLY 249 77.948 74.164 65.293 1.00 1.00 ATOM 291 CA MET 250 76.179 77.482 65.978 1.00 1.00 ATOM 292 CA LEU 251 77.016 78.775 62.491 1.00 1.00 ATOM 293 CA ILE 252 75.820 75.553 60.806 1.00 1.00 ATOM 294 CA TYR 253 72.585 75.582 62.776 1.00 1.00 ATOM 295 CA GLN 254 71.752 79.222 61.957 1.00 1.00 ATOM 296 CA GLY 255 72.366 78.524 58.289 1.00 1.00 ATOM 297 CA ALA 256 70.325 75.305 58.362 1.00 1.00 ATOM 298 CA VAL 257 67.399 77.137 59.993 1.00 1.00 ATOM 299 CA ALA 258 67.634 79.751 57.203 1.00 1.00 ATOM 300 CA PHE 259 67.756 77.143 54.390 1.00 1.00 ATOM 301 CA LYS 260 64.623 75.531 55.844 1.00 1.00 ATOM 302 CA ILE 261 62.704 78.797 55.274 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:21:08 2002 Date: Fri, 23 Aug 2002 15:21:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 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 Fri Aug 23 14:53:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_671690_32542 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS189_2 Current information on models submitted in prediction T0191TS189 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 casp5@bialko.llnl.gov T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 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 T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 casp5@bialko.llnl.gov T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 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 TS PFRMAT TS TARGET T0191 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1FF9_A # Loading PARENT structure: 1ff9 (chain: A) # Number of residues in PARENT structure: 447 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 206 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 119 # Total number of atoms in model: 119 # Number of atoms with 1.0 occupancy: 119 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 119 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1FF9_A ATOM 3 CA ASP 123 59.851 77.558 32.589 1.00 1.00 ATOM 4 CA LYS 124 60.804 73.903 32.940 1.00 1.00 ATOM 5 CA ASN 125 64.222 72.665 31.810 1.00 1.00 ATOM 6 CA ILE 126 65.402 69.166 30.919 1.00 1.00 ATOM 7 CA VAL 127 68.774 67.414 30.746 1.00 1.00 ATOM 8 CA ILE 128 68.901 65.263 27.625 1.00 1.00 ATOM 9 CA TYR 129 71.454 62.477 27.536 1.00 1.00 ATOM 10 CA GLY 130 72.386 61.068 24.164 1.00 1.00 ATOM 11 CA ALA 131 74.180 61.860 20.938 1.00 1.00 ATOM 12 CA GLY 132 72.040 59.738 18.678 1.00 1.00 ATOM 13 CA GLY 133 69.400 59.176 16.030 1.00 1.00 ATOM 14 CA ALA 134 66.327 59.809 18.170 1.00 1.00 ATOM 15 CA ALA 135 67.533 62.943 19.962 1.00 1.00 ATOM 16 CA ARG 136 66.362 65.443 17.308 1.00 1.00 ATOM 17 CA ALA 137 62.595 64.817 17.280 1.00 1.00 ATOM 18 CA VAL 138 62.610 64.781 21.073 1.00 1.00 ATOM 19 CA ALA 139 64.609 68.028 21.151 1.00 1.00 ATOM 20 CA PHE 140 62.419 69.706 18.528 1.00 1.00 ATOM 21 CA GLU 141 59.156 68.821 20.277 1.00 1.00 ATOM 22 CA LEU 142 60.341 69.935 23.704 1.00 1.00 ATOM 23 CA ALA 143 61.910 73.229 22.643 1.00 1.00 ATOM 24 CA LYS 144 58.871 73.957 20.466 1.00 1.00 ATOM 25 CA ASP 145 56.866 73.737 23.678 1.00 1.00 ATOM 26 CA ASN 146 58.972 76.362 25.453 1.00 1.00 ATOM 28 CA ASN 147 64.604 74.431 27.686 1.00 1.00 ATOM 29 CA ILE 148 66.904 71.508 26.963 1.00 1.00 ATOM 30 CA ILE 149 70.598 71.164 27.690 1.00 1.00 ATOM 31 CA ILE 150 71.967 68.471 25.383 1.00 1.00 ATOM 32 CA ALA 151 74.762 66.496 26.997 1.00 1.00 ATOM 33 CA ASN 152 77.220 64.261 25.187 1.00 1.00 ATOM 34 CA ARG 153 80.703 63.075 26.126 1.00 1.00 ATOM 35 CA THR 154 81.970 65.632 23.600 1.00 1.00 ATOM 36 CA VAL 155 80.955 69.278 23.291 1.00 1.00 ATOM 37 CA GLU 156 81.114 68.908 19.494 1.00 1.00 ATOM 38 CA LYS 157 78.613 66.050 19.527 1.00 1.00 ATOM 39 CA ALA 158 76.299 68.207 21.621 1.00 1.00 ATOM 40 CA GLU 159 76.987 71.307 19.511 1.00 1.00 ATOM 41 CA ALA 160 75.934 69.237 16.502 1.00 1.00 ATOM 42 CA LEU 161 72.606 67.847 17.731 1.00 1.00 ATOM 43 CA ALA 162 71.718 71.339 18.985 1.00 1.00 ATOM 44 CA LYS 163 72.909 73.883 16.416 1.00 1.00 ATOM 45 CA GLU 164 70.194 76.355 15.474 1.00 1.00 ATOM 46 CA ILE 165 67.699 74.908 17.937 1.00 1.00 ATOM 47 CA ALA 166 66.012 77.498 20.145 1.00 1.00 ATOM 48 CA GLU 167 66.038 77.041 23.918 1.00 1.00 ATOM 49 CA LYS 168 68.802 74.425 23.756 1.00 1.00 ATOM 50 CA LEU 169 72.273 74.378 25.299 1.00 1.00 ATOM 51 CA ASN 170 75.042 71.888 24.517 1.00 1.00 ATOM 52 CA LYS 171 77.563 70.641 27.081 1.00 1.00 ATOM 53 CA LYS 172 80.227 68.005 27.628 1.00 1.00 ATOM 54 CA GLY 174 79.399 65.696 30.510 1.00 1.00 ATOM 55 CA GLU 175 80.772 62.405 31.817 1.00 1.00 ATOM 56 CA GLU 176 77.707 60.433 32.851 1.00 1.00 ATOM 57 CA VAL 177 79.861 57.870 34.692 1.00 1.00 ATOM 58 CA LYS 178 81.249 60.587 36.999 1.00 1.00 ATOM 59 CA PHE 179 78.715 60.393 39.850 1.00 1.00 ATOM 60 CA SER 180 79.687 63.782 41.295 1.00 1.00 ATOM 61 CA GLY 181 79.563 65.477 37.891 1.00 1.00 ATOM 62 CA LEU 182 76.246 63.873 36.978 1.00 1.00 ATOM 63 CA ASP 183 74.529 64.949 40.217 1.00 1.00 ATOM 64 CA VAL 184 75.660 68.555 39.795 1.00 1.00 ATOM 65 CA ASP 185 74.121 68.798 36.331 1.00 1.00 ATOM 66 CA LEU 186 70.963 66.798 37.104 1.00 1.00 ATOM 67 CA ASP 187 70.132 69.170 39.975 1.00 1.00 ATOM 68 CA GLY 188 70.004 72.099 37.541 1.00 1.00 ATOM 69 CA VAL 189 67.003 70.642 35.694 1.00 1.00 ATOM 70 CA ASP 190 63.536 69.315 36.460 1.00 1.00 ATOM 71 CA ILE 191 63.909 66.040 34.579 1.00 1.00 ATOM 72 CA ILE 192 66.628 63.931 32.961 1.00 1.00 ATOM 73 CA ILE 193 66.030 62.097 29.669 1.00 1.00 ATOM 74 CA ASN 194 68.185 59.051 28.992 1.00 1.00 ATOM 75 CA ALA 195 68.347 58.045 25.330 1.00 1.00 ATOM 76 CA THR 196 71.918 56.790 25.796 1.00 1.00 ATOM 77 CA PRO 197 72.954 53.161 26.484 1.00 1.00 ATOM 80 CA MET 200 74.110 53.726 32.196 1.00 1.00 ATOM 81 CA VAL 206 70.423 53.531 33.106 1.00 1.00 ATOM 82 CA GLU 207 70.579 52.565 36.802 1.00 1.00 ATOM 83 CA PRO 208 73.382 55.078 37.339 1.00 1.00 ATOM 84 CA ILE 209 71.248 57.838 35.854 1.00 1.00 ATOM 85 CA VAL 210 68.300 56.823 37.996 1.00 1.00 ATOM 86 CA LYS 211 70.406 56.802 41.182 1.00 1.00 ATOM 87 CA ALA 212 71.544 60.379 40.478 1.00 1.00 ATOM 88 CA GLU 213 67.935 61.408 39.816 1.00 1.00 ATOM 89 CA LYS 214 66.987 59.830 43.134 1.00 1.00 ATOM 90 CA LEU 215 69.656 61.745 45.092 1.00 1.00 ATOM 91 CA ARG 216 68.715 65.018 43.361 1.00 1.00 ATOM 92 CA GLU 217 64.989 64.246 43.457 1.00 1.00 ATOM 93 CA ASP 218 64.433 64.918 39.762 1.00 1.00 ATOM 94 CA MET 219 62.211 62.954 37.388 1.00 1.00 ATOM 95 CA VAL 220 63.381 60.568 34.685 1.00 1.00 ATOM 96 CA VAL 221 62.181 59.408 31.258 1.00 1.00 ATOM 97 CA MET 222 63.862 56.658 29.227 1.00 1.00 ATOM 98 CA ASP 223 63.018 54.631 26.140 1.00 1.00 ATOM 99 CA LEU 224 64.519 51.447 27.577 1.00 1.00 ATOM 100 CA ILE 225 63.147 48.344 29.259 1.00 1.00 ATOM 101 CA TYR 226 62.800 48.291 33.017 1.00 1.00 ATOM 102 CA ASN 227 65.703 46.074 34.111 1.00 1.00 ATOM 103 CA PRO 228 66.135 44.298 37.461 1.00 1.00 ATOM 104 CA LEU 229 68.537 47.029 38.600 1.00 1.00 ATOM 105 CA GLU 230 66.066 49.748 37.596 1.00 1.00 ATOM 106 CA THR 231 63.160 48.011 39.395 1.00 1.00 ATOM 107 CA VAL 232 65.349 47.607 42.473 1.00 1.00 ATOM 108 CA LEU 233 65.265 51.412 42.788 1.00 1.00 ATOM 109 CA LEU 234 61.466 51.556 42.679 1.00 1.00 ATOM 110 CA LYS 235 61.016 52.092 46.432 1.00 1.00 ATOM 111 CA GLU 236 63.866 54.621 46.645 1.00 1.00 ATOM 112 CA ALA 237 62.339 56.522 43.716 1.00 1.00 ATOM 113 CA LYS 238 58.978 56.674 45.482 1.00 1.00 ATOM 114 CA LYS 239 60.623 57.925 48.685 1.00 1.00 ATOM 115 CA VAL 240 62.326 60.720 46.761 1.00 1.00 ATOM 116 CA ASN 241 58.955 61.531 45.245 1.00 1.00 ATOM 117 CA ALA 242 60.051 61.144 41.624 1.00 1.00 ATOM 118 CA LYS 243 58.645 59.556 38.474 1.00 1.00 ATOM 119 CA THR 244 60.886 57.331 36.362 1.00 1.00 ATOM 120 CA ILE 245 58.974 56.695 33.105 1.00 1.00 ATOM 121 CA ASN 246 60.554 53.984 30.955 1.00 1.00 ATOM 122 CA GLY 247 59.622 51.933 27.863 1.00 1.00 ATOM 123 CA LEU 248 58.099 54.906 26.050 1.00 1.00 ATOM 124 CA GLY 249 59.768 54.798 22.668 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:24:39 2002 Date: Fri, 23 Aug 2002 15:24:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 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 Fri Aug 23 14:56:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_705134_32552 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS189_3 Current information on models submitted in prediction T0191TS189 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_3 PIN_705134_32552 5035-2079-5263 08/23/02 14:56:39 casp5@bialko.llnl.gov T0191TS189_4 PIN_690621_32548 5035-2079-5263 08/23/02 14:55:12 casp5@bialko.llnl.gov T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 casp5@bialko.llnl.gov T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 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 T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 casp5@bialko.llnl.gov T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 casp5@bialko.llnl.gov T0191TS189_3 PIN_705134_32552 5035-2079-5263 08/23/02 14:56:39 casp5@bialko.llnl.gov T0191TS189_4 PIN_690621_32548 5035-2079-5263 08/23/02 14:55:12 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 T0191 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1SAY_A # Loading PARENT structure: 1say (chain: A) # Number of residues in PARENT structure: 361 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue M 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue P 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue I 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue V 206 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1SAY_A ATOM 137 CA GLY 102 11.099 15.833 12.036 1.00 1.00 ATOM 138 CA TYR 103 9.095 16.607 8.915 1.00 1.00 ATOM 139 CA ASN 104 11.033 19.766 8.118 1.00 1.00 ATOM 140 CA THR 105 14.420 18.165 8.544 1.00 1.00 ATOM 141 CA ASP 106 13.997 16.372 5.245 1.00 1.00 ATOM 142 CA GLY 107 12.542 19.419 3.495 1.00 1.00 ATOM 143 CA ILE 108 15.569 21.500 4.529 1.00 1.00 ATOM 144 CA GLY 109 17.966 18.695 3.777 1.00 1.00 ATOM 145 CA ALA 110 16.598 18.392 0.251 1.00 1.00 ATOM 146 CA ARG 111 17.101 22.067 -0.320 1.00 1.00 ATOM 147 CA MET 112 20.725 21.953 0.753 1.00 1.00 ATOM 148 CA ALA 113 21.569 18.947 -1.401 1.00 1.00 ATOM 149 CA LEU 114 20.796 21.292 -4.401 1.00 1.00 ATOM 150 CA GLU 115 23.971 22.473 -6.147 1.00 1.00 ATOM 151 CA GLU 116 23.208 26.197 -5.891 1.00 1.00 ATOM 152 CA GLU 117 22.605 25.783 -2.197 1.00 1.00 ATOM 153 CA ILE 118 25.959 24.103 -1.614 1.00 1.00 ATOM 154 CA GLY 119 25.264 20.296 -1.805 1.00 1.00 ATOM 165 CA VAL 121 19.491 6.490 -11.421 1.00 1.00 ATOM 166 CA LYS 122 20.487 5.862 -7.722 1.00 1.00 ATOM 167 CA ASP 123 18.152 7.574 -5.225 1.00 1.00 ATOM 168 CA LYS 124 19.638 9.651 -2.362 1.00 1.00 ATOM 169 CA ASN 125 20.570 7.888 0.874 1.00 1.00 ATOM 170 CA ILE 126 19.152 9.294 4.097 1.00 1.00 ATOM 171 CA VAL 127 20.550 8.075 7.375 1.00 1.00 ATOM 172 CA ILE 128 18.578 8.863 10.486 1.00 1.00 ATOM 173 CA TYR 129 20.118 8.570 13.937 1.00 1.00 ATOM 174 CA GLY 130 17.281 8.098 16.458 1.00 1.00 ATOM 175 CA ALA 131 13.989 6.204 15.976 1.00 1.00 ATOM 176 CA GLY 132 11.728 8.253 18.205 1.00 1.00 ATOM 177 CA GLY 133 9.041 10.759 17.167 1.00 1.00 ATOM 178 CA ALA 134 11.423 13.042 15.361 1.00 1.00 ATOM 179 CA ALA 135 13.259 10.307 13.491 1.00 1.00 ATOM 180 CA ARG 136 10.049 8.578 12.633 1.00 1.00 ATOM 181 CA ALA 137 8.505 11.765 11.125 1.00 1.00 ATOM 182 CA VAL 138 11.717 12.384 9.203 1.00 1.00 ATOM 183 CA ALA 139 11.657 8.804 7.765 1.00 1.00 ATOM 184 CA PHE 140 8.080 9.373 6.648 1.00 1.00 ATOM 185 CA GLU 141 9.108 12.374 4.570 1.00 1.00 ATOM 186 CA LEU 142 12.213 10.773 3.204 1.00 1.00 ATOM 187 CA ALA 143 10.378 7.693 2.141 1.00 1.00 ATOM 188 CA LYS 144 7.729 9.998 0.576 1.00 1.00 ATOM 189 CA ASP 145 10.365 11.659 -1.623 1.00 1.00 ATOM 190 CA ASN 146 11.587 8.216 -2.701 1.00 1.00 ATOM 192 CA ASN 147 16.702 5.022 0.383 1.00 1.00 ATOM 193 CA ILE 148 16.315 5.212 4.179 1.00 1.00 ATOM 194 CA ILE 149 18.120 3.816 7.222 1.00 1.00 ATOM 195 CA ILE 150 17.047 4.458 10.818 1.00 1.00 ATOM 196 CA ALA 151 19.291 3.619 13.719 1.00 1.00 ATOM 197 CA ASN 152 18.152 3.200 17.277 1.00 1.00 ATOM 198 CA ARG 153 19.336 1.354 20.391 1.00 1.00 ATOM 199 CA THR 154 15.905 0.167 21.379 1.00 1.00 ATOM 200 CA VAL 155 14.899 -2.972 19.564 1.00 1.00 ATOM 201 CA GLU 156 11.299 -2.659 20.719 1.00 1.00 ATOM 202 CA LYS 157 11.161 0.673 19.008 1.00 1.00 ATOM 203 CA ALA 158 12.759 -0.850 15.915 1.00 1.00 ATOM 204 CA GLU 159 10.077 -3.504 16.022 1.00 1.00 ATOM 205 CA ALA 160 7.305 -0.971 16.312 1.00 1.00 ATOM 206 CA LEU 161 8.773 0.968 13.353 1.00 1.00 ATOM 207 CA ALA 162 8.527 -2.129 11.178 1.00 1.00 ATOM 208 CA LYS 163 4.770 -2.070 11.744 1.00 1.00 ATOM 209 CA GLU 164 4.816 1.458 10.254 1.00 1.00 ATOM 210 CA ILE 165 7.207 0.989 7.390 1.00 1.00 ATOM 211 CA ALA 166 7.222 -2.719 6.604 1.00 1.00 ATOM 212 CA GLU 167 10.462 -3.583 4.674 1.00 1.00 ATOM 213 CA LYS 168 10.679 -0.204 2.911 1.00 1.00 ATOM 214 CA LEU 169 13.121 1.288 5.389 1.00 1.00 ATOM 215 CA ASN 170 16.308 -0.359 6.824 1.00 1.00 ATOM 216 CA GLY 174 15.940 -0.717 10.631 1.00 1.00 ATOM 217 CA GLU 175 19.322 -0.995 12.264 1.00 1.00 ATOM 218 CA GLU 176 20.592 -1.307 15.859 1.00 1.00 ATOM 219 CA VAL 177 22.824 1.555 16.829 1.00 1.00 ATOM 220 CA LYS 178 26.324 0.220 17.043 1.00 1.00 ATOM 221 CA PHE 179 29.463 2.198 16.260 1.00 1.00 ATOM 222 CA SER 180 30.498 -0.243 13.566 1.00 1.00 ATOM 223 CA GLY 181 27.293 -0.022 11.480 1.00 1.00 ATOM 224 CA LEU 182 27.012 3.671 12.114 1.00 1.00 ATOM 225 CA ASP 183 30.424 4.304 10.590 1.00 1.00 ATOM 226 CA VAL 184 29.620 2.486 7.390 1.00 1.00 ATOM 227 CA ASP 185 26.191 3.993 6.913 1.00 1.00 ATOM 228 CA LEU 186 27.208 7.522 7.604 1.00 1.00 ATOM 229 CA ASP 187 30.105 7.314 5.219 1.00 1.00 ATOM 230 CA GLY 188 27.661 6.535 2.389 1.00 1.00 ATOM 231 CA VAL 189 25.011 9.149 3.358 1.00 1.00 ATOM 232 CA ASP 190 23.801 12.045 1.212 1.00 1.00 ATOM 233 CA ILE 191 21.715 13.381 4.086 1.00 1.00 ATOM 234 CA ILE 192 22.384 12.652 7.680 1.00 1.00 ATOM 235 CA ILE 193 19.732 13.568 10.170 1.00 1.00 ATOM 236 CA ASN 194 20.468 13.725 13.933 1.00 1.00 ATOM 237 CA ALA 195 17.190 12.861 15.725 1.00 1.00 ATOM 238 CA THR 196 18.322 11.971 19.204 1.00 1.00 ATOM 239 CA PRO 197 16.437 14.538 21.157 1.00 1.00 ATOM 240 CA ILE 198 17.328 13.789 24.784 1.00 1.00 ATOM 241 CA GLY 199 15.047 16.490 26.255 1.00 1.00 ATOM 242 CA MET 200 16.903 17.571 29.379 1.00 1.00 ATOM 243 CA TYR 201 20.579 17.104 28.895 1.00 1.00 ATOM 244 CA PRO 202 22.715 16.474 25.836 1.00 1.00 ATOM 245 CA ASN 203 23.125 13.477 23.527 1.00 1.00 ATOM 246 CA ILE 204 26.282 11.480 23.132 1.00 1.00 ATOM 247 CA ASP 205 28.368 11.868 20.102 1.00 1.00 ATOM 248 CA VAL 206 27.379 9.306 17.596 1.00 1.00 ATOM 249 CA GLU 207 29.127 11.228 14.919 1.00 1.00 ATOM 250 CA PRO 208 32.627 12.444 15.582 1.00 1.00 ATOM 251 CA ILE 209 34.527 14.777 13.312 1.00 1.00 ATOM 252 CA VAL 210 36.619 11.842 12.191 1.00 1.00 ATOM 253 CA LYS 211 33.480 10.279 10.854 1.00 1.00 ATOM 254 CA ALA 212 32.403 13.514 9.233 1.00 1.00 ATOM 255 CA GLU 213 35.694 13.685 7.413 1.00 1.00 ATOM 256 CA LYS 214 34.769 10.344 5.850 1.00 1.00 ATOM 257 CA LEU 215 31.516 11.626 4.297 1.00 1.00 ATOM 258 CA ARG 216 31.184 12.588 0.639 1.00 1.00 ATOM 259 CA GLU 217 31.655 16.226 -0.345 1.00 1.00 ATOM 260 CA ASP 218 28.287 17.944 -0.778 1.00 1.00 ATOM 261 CA MET 219 26.593 15.672 1.743 1.00 1.00 ATOM 262 CA VAL 220 24.360 17.430 4.202 1.00 1.00 ATOM 263 CA VAL 221 23.859 17.235 7.958 1.00 1.00 ATOM 264 CA MET 222 20.840 18.404 9.898 1.00 1.00 ATOM 265 CA ASP 223 20.600 17.889 13.658 1.00 1.00 ATOM 266 CA LEU 224 17.376 18.488 15.301 1.00 1.00 ATOM 267 CA ILE 225 19.109 18.552 18.686 1.00 1.00 ATOM 268 CA TYR 226 21.394 21.574 17.739 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:23:21 2002 Date: Fri, 23 Aug 2002 15:23:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 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 Fri Aug 23 14:55:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_690621_32548 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS189_4 Current information on models submitted in prediction T0191TS189 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_4 PIN_690621_32548 5035-2079-5263 08/23/02 14:55:12 casp5@bialko.llnl.gov T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 casp5@bialko.llnl.gov T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 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 T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS189_1 PIN_667955_32540 5035-2079-5263 08/23/02 14:52:01 casp5@bialko.llnl.gov T0191TS189_2 PIN_671690_32542 5035-2079-5263 08/23/02 14:53:06 casp5@bialko.llnl.gov T0191TS189_4 PIN_690621_32548 5035-2079-5263 08/23/02 14:55:12 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 T0191 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1JAX_A # Loading PARENT structure: 1jax (chain: A) # Number of residues in PARENT structure: 212 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue P 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 94 # Total number of atoms in model: 94 # Number of atoms with 1.0 occupancy: 94 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 94 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1JAX_A ATOM 2 CA ASN 125 12.742 -3.833 55.892 1.00 1.00 ATOM 3 CA ILE 126 10.668 -2.938 52.890 1.00 1.00 ATOM 4 CA VAL 127 7.374 -1.079 52.959 1.00 1.00 ATOM 5 CA ILE 128 5.083 -1.641 50.007 1.00 1.00 ATOM 6 CA TYR 129 2.890 1.445 50.107 1.00 1.00 ATOM 7 CA GLY 130 -0.476 0.647 48.612 1.00 1.00 ATOM 8 CA ALA 131 0.972 -2.838 48.169 1.00 1.00 ATOM 10 CA GLY 132 -2.039 -4.984 44.030 1.00 1.00 ATOM 11 CA GLY 133 -0.015 -7.511 42.004 1.00 1.00 ATOM 12 CA ALA 134 3.289 -5.655 41.835 1.00 1.00 ATOM 13 CA ALA 135 3.167 -5.332 45.603 1.00 1.00 ATOM 14 CA ARG 136 2.112 -8.985 45.833 1.00 1.00 ATOM 15 CA ALA 137 5.041 -10.189 43.726 1.00 1.00 ATOM 16 CA VAL 138 7.528 -8.121 45.702 1.00 1.00 ATOM 17 CA ALA 139 6.136 -9.157 49.075 1.00 1.00 ATOM 18 CA PHE 140 6.219 -12.834 48.262 1.00 1.00 ATOM 19 CA GLU 141 9.674 -12.921 46.718 1.00 1.00 ATOM 20 CA LEU 142 11.467 -10.609 49.134 1.00 1.00 ATOM 21 CA ALA 143 9.765 -12.150 52.199 1.00 1.00 ATOM 22 CA LYS 144 10.780 -15.634 51.116 1.00 1.00 ATOM 23 CA ASP 145 14.375 -14.322 50.817 1.00 1.00 ATOM 24 CA ASN 146 14.265 -13.318 54.492 1.00 1.00 ATOM 26 CA ASN 147 10.750 -8.111 56.608 1.00 1.00 ATOM 27 CA ILE 148 7.903 -6.848 54.450 1.00 1.00 ATOM 28 CA ILE 149 5.268 -4.372 55.547 1.00 1.00 ATOM 29 CA ILE 150 2.236 -4.080 53.322 1.00 1.00 ATOM 30 CA ALA 151 0.884 -0.549 53.566 1.00 1.00 ATOM 31 CA ASN 152 -2.678 0.594 53.006 1.00 1.00 ATOM 32 CA ARG 153 -4.934 3.468 54.081 1.00 1.00 ATOM 33 CA THR 154 -6.574 1.412 56.861 1.00 1.00 ATOM 34 CA VAL 155 -4.502 -0.684 59.309 1.00 1.00 ATOM 35 CA GLU 156 -7.052 -3.519 59.313 1.00 1.00 ATOM 36 CA LYS 157 -7.125 -3.865 55.504 1.00 1.00 ATOM 37 CA ALA 158 -3.323 -3.914 55.269 1.00 1.00 ATOM 38 CA GLU 159 -3.319 -6.649 57.897 1.00 1.00 ATOM 39 CA ALA 160 -5.665 -8.820 55.835 1.00 1.00 ATOM 40 CA LEU 161 -3.652 -8.444 52.637 1.00 1.00 ATOM 41 CA ALA 162 -0.452 -9.326 54.482 1.00 1.00 ATOM 42 CA LYS 163 -2.186 -12.404 55.924 1.00 1.00 ATOM 43 CA GLU 164 -3.211 -13.504 52.419 1.00 1.00 ATOM 44 CA ILE 165 0.411 -13.128 51.275 1.00 1.00 ATOM 45 CA ALA 166 1.756 -14.962 54.299 1.00 1.00 ATOM 46 CA GLU 167 -0.422 -17.959 53.457 1.00 1.00 ATOM 47 CA LYS 168 1.139 -18.121 50.014 1.00 1.00 ATOM 48 CA LEU 169 4.710 -17.471 51.147 1.00 1.00 ATOM 49 CA ASN 170 4.638 -19.774 54.156 1.00 1.00 ATOM 50 CA LYS 171 6.954 -19.029 57.074 1.00 1.00 ATOM 51 CA LYS 172 7.818 -15.451 56.122 1.00 1.00 ATOM 52 CA PHE 173 7.666 -11.983 57.678 1.00 1.00 ATOM 53 CA GLY 174 4.848 -10.069 55.992 1.00 1.00 ATOM 54 CA GLU 175 3.040 -7.597 58.254 1.00 1.00 ATOM 55 CA GLU 176 0.283 -5.085 57.528 1.00 1.00 ATOM 56 CA VAL 177 0.171 -1.452 58.732 1.00 1.00 ATOM 57 CA LYS 178 -1.304 1.937 57.823 1.00 1.00 ATOM 58 CA PHE 179 0.862 3.505 55.050 1.00 1.00 ATOM 59 CA SER 180 2.140 6.099 57.491 1.00 1.00 ATOM 60 CA GLY 181 3.239 3.421 59.988 1.00 1.00 ATOM 61 CA LEU 182 4.643 1.120 57.296 1.00 1.00 ATOM 62 CA ASP 183 6.761 3.972 55.914 1.00 1.00 ATOM 63 CA ASP 187 7.929 4.838 59.418 1.00 1.00 ATOM 64 CA GLY 188 8.955 1.247 60.158 1.00 1.00 ATOM 65 CA VAL 189 10.752 0.611 56.830 1.00 1.00 ATOM 66 CA ASP 190 14.265 1.096 55.500 1.00 1.00 ATOM 67 CA ILE 191 12.977 1.264 51.929 1.00 1.00 ATOM 68 CA ILE 192 9.541 2.389 50.800 1.00 1.00 ATOM 69 CA ILE 193 8.259 1.290 47.397 1.00 1.00 ATOM 70 CA ASN 194 5.492 3.409 45.875 1.00 1.00 ATOM 71 CA ALA 195 3.286 0.581 44.598 1.00 1.00 ATOM 72 CA THR 196 0.357 2.938 44.005 1.00 1.00 ATOM 73 CA PRO 197 -1.159 4.168 40.728 1.00 1.00 ATOM 74 CA ILE 198 0.237 7.385 39.216 1.00 1.00 ATOM 75 CA GLY 199 -3.079 9.211 39.535 1.00 1.00 ATOM 76 CA MET 200 -2.733 10.069 43.239 1.00 1.00 ATOM 77 CA TYR 201 0.958 9.267 43.700 1.00 1.00 ATOM 78 CA PRO 202 2.142 12.833 44.202 1.00 1.00 ATOM 79 CA ASN 203 -0.629 13.604 46.688 1.00 1.00 ATOM 80 CA PRO 208 0.356 10.419 48.533 1.00 1.00 ATOM 81 CA ILE 209 4.058 11.288 48.514 1.00 1.00 ATOM 82 CA VAL 210 3.274 14.797 49.774 1.00 1.00 ATOM 83 CA LYS 211 1.132 13.427 52.605 1.00 1.00 ATOM 84 CA ALA 212 4.018 11.171 53.690 1.00 1.00 ATOM 85 CA GLU 213 6.802 13.662 53.044 1.00 1.00 ATOM 86 CA LYS 214 8.064 14.120 56.602 1.00 1.00 ATOM 87 CA LEU 215 8.295 10.375 57.047 1.00 1.00 ATOM 88 CA ARG 216 9.627 9.450 53.576 1.00 1.00 ATOM 89 CA GLU 217 12.307 12.109 52.987 1.00 1.00 ATOM 90 CA ASP 218 14.593 10.214 55.377 1.00 1.00 ATOM 91 CA MET 219 14.068 6.760 53.838 1.00 1.00 ATOM 92 CA VAL 220 15.100 5.276 50.518 1.00 1.00 ATOM 93 CA VAL 221 12.089 5.673 48.261 1.00 1.00 ATOM 94 CA MET 222 11.665 3.525 45.164 1.00 1.00 ATOM 95 CA ASP 223 9.487 4.850 42.363 1.00 1.00 ATOM 96 CA LEU 224 8.117 2.393 39.695 1.00 1.00 ATOM 97 CA ILE 225 5.688 5.167 38.663 1.00 1.00 TER END ################################ # # # END # # # ################################