From mailer@bialko.llnl.gov Tue Jul 16 19:08:07 2002 Date: Tue, 16 Jul 2002 19:08:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:40:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_522967_12210 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154SS389_1 Current information on models submitted in prediction T0154SS389 MODEL_INDEX PIN CODE DATE E-mail T0154SS389_1 PIN_522967_12210 1549-8716-6404 07/16/02 18:40:47 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154SS389_1 PIN_522967_12210 1549-8716-6404 07/16/02 18:40:47 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 T0154 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: 309 # Number of residues with nonzero confidence: 309 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0154 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0154.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0154.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0154.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 T0154.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0154 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 T0154.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 45 METHOD METHOD ============================================ METHOD Comments from T0154.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0154 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 T0154.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 45 METHOD METHOD ============================================ METHOD Comments from T0154.t2k.str.rdb METHOD ============================================ METHOD TARGET T0154 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 T0154.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 45 METHOD METHOD ============================================ MODEL 1 M C 0.95 T C 0.78 I C 0.77 P C 0.76 A C 0.67 F C 0.70 H C 0.86 P C 0.84 G C 0.82 E C 0.71 L C 0.65 N E 0.48 V E 0.66 Y E 0.65 S C 0.44 A C 0.76 P H 0.93 G H 0.95 D H 0.97 V H 0.97 A H 0.97 D H 0.97 V H 0.96 S H 0.96 R H 0.96 A H 0.96 L H 0.96 R H 0.95 L H 0.87 T C 0.58 G C 0.98 R C 0.92 R E 0.58 V E 0.88 M E 0.91 L E 0.92 V E 0.70 P C 0.55 T C 0.63 M C 0.51 G H 0.59 A H 0.71 L H 0.78 H H 0.82 E H 0.87 G H 0.89 H H 0.97 L H 0.98 A H 0.98 L H 0.98 V H 0.98 R H 0.97 A H 0.97 A H 0.96 K H 0.87 R H 0.67 V C 0.60 P C 0.87 G C 0.94 S C 0.92 V E 0.74 V E 0.97 V E 0.98 V E 0.97 S E 0.94 I E 0.84 F E 0.74 V C 0.50 N C 0.82 P C 0.57 M H 0.45 Q H 0.44 F C 0.78 G C 0.89 A C 0.83 G C 0.77 E C 0.75 D C 0.71 L H 0.65 D H 0.52 A C 0.58 Y C 0.86 P C 0.87 R C 0.85 T C 0.89 P H 0.87 D H 0.95 D H 0.96 D H 0.96 L H 0.97 A H 0.97 Q H 0.97 L H 0.97 R H 0.96 A H 0.93 E C 0.56 G C 0.98 V C 0.94 E C 0.52 I E 0.96 A E 0.97 F E 0.96 T E 0.82 P C 0.79 T C 0.91 T H 0.77 A H 0.81 A H 0.82 M H 0.49 Y C 0.77 P C 0.83 D C 0.90 G C 0.91 L C 0.81 R C 0.51 T E 0.73 T E 0.84 V E 0.79 Q E 0.55 P C 0.73 G C 0.75 P C 0.63 L H 0.48 A H 0.50 A H 0.52 E H 0.55 L C 0.50 E C 0.69 G C 0.85 G C 0.86 P C 0.85 R C 0.87 P C 0.83 T C 0.76 H C 0.58 F C 0.49 A H 0.61 G H 0.76 V H 0.90 L H 0.93 T H 0.93 V H 0.94 V H 0.94 L H 0.95 K H 0.96 L H 0.91 L H 0.87 Q H 0.66 I H 0.49 V C 0.74 R C 0.91 P C 0.80 D C 0.70 R E 0.37 V E 0.47 F E 0.47 F C 0.54 G C 0.79 E C 0.62 K C 0.53 D H 0.79 Y H 0.89 Q H 0.94 Q H 0.96 L H 0.97 V H 0.98 L H 0.98 I H 0.98 R H 0.98 Q H 0.97 L H 0.97 V H 0.96 A H 0.91 D H 0.76 F C 0.51 N C 0.90 L C 0.91 D C 0.76 V E 0.69 A E 0.93 V E 0.94 V E 0.88 G E 0.73 V C 0.53 P C 0.53 T E 0.66 V E 0.76 R E 0.72 E C 0.59 A C 0.83 D C 0.91 G C 0.86 L C 0.61 A E 0.58 M E 0.56 S E 0.45 S C 0.53 R C 0.61 N C 0.64 R C 0.66 Y C 0.69 L C 0.91 D C 0.94 P H 0.92 A H 0.92 Q H 0.94 R H 0.95 A H 0.94 A H 0.93 A H 0.92 V H 0.94 A H 0.94 L H 0.96 S H 0.97 A H 0.97 A H 0.97 L H 0.97 T H 0.97 A H 0.97 A H 0.96 A H 0.97 H H 0.96 A H 0.96 A H 0.95 T H 0.87 A H 0.50 G C 0.84 A C 0.78 Q C 0.64 A C 0.60 A H 0.90 L H 0.95 D H 0.96 A H 0.97 A H 0.97 R H 0.97 A H 0.96 V H 0.95 L H 0.94 D H 0.81 A H 0.68 A C 0.73 P C 0.84 G C 0.91 V C 0.88 A C 0.63 V C 0.55 D E 0.69 Y E 0.93 L E 0.97 E E 0.98 L E 0.97 R E 0.84 D C 0.57 I C 0.73 G C 0.77 L C 0.70 G C 0.86 P C 0.82 M C 0.72 P C 0.75 L C 0.81 N C 0.82 G C 0.85 S C 0.79 G E 0.63 R E 0.89 L E 0.96 L E 0.95 V E 0.95 A E 0.89 A E 0.85 R E 0.74 L E 0.51 G C 0.81 T C 0.81 T C 0.51 R E 0.72 L E 0.79 L E 0.75 D E 0.60 N C 0.53 I E 0.54 A E 0.70 I E 0.61 E C 0.68 I C 0.78 G C 0.75 T C 0.59 F C 0.54 A C 0.64 G C 0.78 T C 0.83 D C 0.83 R C 0.91 P C 0.72 D C 0.61 G H 0.60 Y H 0.79 R H 0.84 A H 0.85 I H 0.84 L H 0.81 E H 0.78 S H 0.70 H H 0.56 W C 0.46 R C 0.74 N C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:51:07 2002 Date: Tue, 30 Jul 2002 06:51:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:23:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_369852_17560 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS189_1 Current information on models submitted in prediction T0154TS189 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1IHO_A # Loading PARENT structure: 1iho (chain: A) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue A 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue V 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue P 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue V 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue P 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue R 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue A 194 # IMPORTANT NOTE! Not complete main chain atoms for residue M 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue A 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue V 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue S 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue A 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue T 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue A 220 # IMPORTANT NOTE! Not complete main chain atoms for residue A 221 # IMPORTANT NOTE! Not complete main chain atoms for residue H 222 # IMPORTANT NOTE! Not complete main chain atoms for residue A 223 # IMPORTANT NOTE! Not complete main chain atoms for residue A 224 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue G 227 # IMPORTANT NOTE! Not complete main chain atoms for residue A 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 229 # IMPORTANT NOTE! Not complete main chain atoms for residue A 230 # IMPORTANT NOTE! Not complete main chain atoms for residue A 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue A 234 # IMPORTANT NOTE! Not complete main chain atoms for residue A 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue L 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue P 243 # IMPORTANT NOTE! Not complete main chain atoms for residue G 244 # IMPORTANT NOTE! Not complete main chain atoms for residue V 245 # IMPORTANT NOTE! Not complete main chain atoms for residue A 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue D 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 249 # IMPORTANT NOTE! Not complete main chain atoms for residue L 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue D 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue G 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue P 259 # IMPORTANT NOTE! Not complete main chain atoms for residue M 260 # IMPORTANT NOTE! Not complete main chain atoms for residue P 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue N 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue R 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue V 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue R 273 # IMPORTANT NOTE! Not complete main chain atoms for residue L 274 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue T 277 # IMPORTANT NOTE! Not complete main chain atoms for residue R 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue D 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue A 284 # IMPORTANT NOTE! Not complete main chain atoms for residue I 285 # IMPORTANT NOTE! Not complete main chain atoms for residue E 286 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 275 # Total number of atoms in model: 275 # Number of atoms with 1.0 occupancy: 275 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 275 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1IHO_A ATOM 1 CA LEU 11 22.883 6.129 9.117 1.00 1.00 ATOM 2 CA ASN 12 25.279 6.586 11.979 1.00 1.00 ATOM 3 CA VAL 13 27.158 9.853 12.321 1.00 1.00 ATOM 4 CA TYR 14 30.358 9.343 14.324 1.00 1.00 ATOM 5 CA SER 15 32.550 12.183 15.566 1.00 1.00 ATOM 6 CA ALA 16 35.183 10.636 17.802 1.00 1.00 ATOM 7 CA PRO 17 38.030 8.173 17.257 1.00 1.00 ATOM 8 CA GLY 18 37.095 5.716 20.042 1.00 1.00 ATOM 9 CA ASP 19 33.537 5.319 18.782 1.00 1.00 ATOM 10 CA VAL 20 34.722 5.011 15.188 1.00 1.00 ATOM 11 CA ALA 21 37.160 2.277 16.134 1.00 1.00 ATOM 12 CA ASP 22 34.408 0.425 17.884 1.00 1.00 ATOM 13 CA VAL 23 32.071 0.534 14.875 1.00 1.00 ATOM 14 CA SER 24 34.854 -0.406 12.489 1.00 1.00 ATOM 15 CA ARG 25 36.084 -3.323 14.623 1.00 1.00 ATOM 16 CA ALA 26 32.567 -4.649 14.846 1.00 1.00 ATOM 17 CA LEU 27 31.831 -4.296 11.149 1.00 1.00 ATOM 18 CA ARG 28 34.947 -6.165 10.261 1.00 1.00 ATOM 19 CA LEU 29 34.294 -8.794 12.965 1.00 1.00 ATOM 20 CA THR 30 31.067 -9.493 11.141 1.00 1.00 ATOM 21 CA GLY 31 33.092 -9.963 7.945 1.00 1.00 ATOM 22 CA ARG 32 31.686 -6.923 6.163 1.00 1.00 ATOM 23 CA ARG 33 33.776 -5.519 3.269 1.00 1.00 ATOM 24 CA VAL 34 34.238 -1.790 3.883 1.00 1.00 ATOM 25 CA MET 35 34.557 1.022 1.342 1.00 1.00 ATOM 26 CA LEU 36 35.740 4.499 2.239 1.00 1.00 ATOM 27 CA VAL 37 34.993 7.749 0.442 1.00 1.00 ATOM 28 CA PRO 38 37.163 10.548 1.883 1.00 1.00 ATOM 29 CA THR 39 35.738 14.066 1.451 1.00 1.00 ATOM 30 CA MET 40 35.980 17.598 2.828 1.00 1.00 ATOM 31 CA GLY 41 32.242 18.104 2.746 1.00 1.00 ATOM 32 CA ALA 42 30.267 20.497 0.522 1.00 1.00 ATOM 33 CA LEU 43 29.063 17.444 -1.373 1.00 1.00 ATOM 34 CA HIS 44 27.843 17.476 -4.992 1.00 1.00 ATOM 35 CA GLU 45 26.944 14.958 -7.689 1.00 1.00 ATOM 36 CA GLY 46 30.606 13.990 -8.250 1.00 1.00 ATOM 37 CA HIS 47 30.708 12.771 -4.651 1.00 1.00 ATOM 38 CA LEU 48 27.381 10.985 -4.995 1.00 1.00 ATOM 39 CA ALA 49 28.901 8.896 -7.856 1.00 1.00 ATOM 40 CA LEU 50 31.831 7.920 -5.600 1.00 1.00 ATOM 41 CA VAL 51 29.282 6.713 -3.024 1.00 1.00 ATOM 42 CA ARG 52 27.343 4.777 -5.665 1.00 1.00 ATOM 43 CA ALA 53 30.545 3.027 -6.744 1.00 1.00 ATOM 44 CA ALA 54 31.392 2.274 -3.122 1.00 1.00 ATOM 45 CA LYS 55 27.916 0.841 -2.483 1.00 1.00 ATOM 46 CA ARG 56 28.171 -1.516 -5.442 1.00 1.00 ATOM 47 CA PRO 58 31.624 -2.764 -4.488 1.00 1.00 ATOM 48 CA GLY 59 31.391 -3.206 -0.739 1.00 1.00 ATOM 49 CA SER 60 29.009 -4.367 2.004 1.00 1.00 ATOM 50 CA VAL 61 29.364 -1.174 4.049 1.00 1.00 ATOM 51 CA VAL 62 30.104 2.406 2.978 1.00 1.00 ATOM 52 CA VAL 63 31.882 4.942 5.166 1.00 1.00 ATOM 53 CA VAL 64 32.124 8.572 4.144 1.00 1.00 ATOM 54 CA SER 65 34.504 10.901 5.966 1.00 1.00 ATOM 55 CA ILE 66 33.723 14.591 6.128 1.00 1.00 ATOM 56 CA PHE 67 36.689 16.575 7.404 1.00 1.00 ATOM 57 CA VAL 68 37.999 19.967 6.389 1.00 1.00 ATOM 58 CA ASN 69 41.656 19.169 6.912 1.00 1.00 ATOM 59 CA PRO 70 43.731 22.178 7.997 1.00 1.00 ATOM 60 CA MET 71 46.974 20.529 6.839 1.00 1.00 ATOM 61 CA GLN 72 46.061 20.843 3.205 1.00 1.00 ATOM 62 CA PHE 73 45.269 24.625 3.280 1.00 1.00 ATOM 63 CA GLY 74 47.867 27.315 2.489 1.00 1.00 ATOM 64 CA ALA 75 46.779 29.772 5.100 1.00 1.00 ATOM 65 CA GLY 76 44.387 29.942 8.005 1.00 1.00 ATOM 66 CA GLU 77 42.144 32.505 6.328 1.00 1.00 ATOM 67 CA ASP 78 41.478 30.190 3.457 1.00 1.00 ATOM 68 CA LEU 79 40.597 27.451 5.908 1.00 1.00 ATOM 69 CA ASP 80 38.137 29.745 7.632 1.00 1.00 ATOM 70 CA ALA 81 36.352 30.632 4.418 1.00 1.00 ATOM 71 CA TYR 82 35.943 27.017 3.253 1.00 1.00 ATOM 72 CA PRO 83 32.285 26.141 2.873 1.00 1.00 ATOM 73 CA ARG 84 30.724 23.944 5.514 1.00 1.00 ATOM 74 CA THR 85 27.338 22.334 4.794 1.00 1.00 ATOM 75 CA PRO 86 27.253 19.409 7.154 1.00 1.00 ATOM 76 CA ASP 87 23.501 19.180 7.416 1.00 1.00 ATOM 77 CA ASP 88 22.990 19.123 3.661 1.00 1.00 ATOM 78 CA ASP 89 25.863 16.697 3.234 1.00 1.00 ATOM 79 CA LEU 90 24.265 14.299 5.702 1.00 1.00 ATOM 80 CA ALA 91 20.853 14.576 4.039 1.00 1.00 ATOM 81 CA GLN 92 22.460 13.623 0.751 1.00 1.00 ATOM 82 CA LEU 93 24.361 10.641 2.113 1.00 1.00 ATOM 83 CA ARG 94 21.392 9.417 4.117 1.00 1.00 ATOM 84 CA ALA 95 19.356 9.390 0.914 1.00 1.00 ATOM 85 CA GLU 96 22.174 7.295 -0.675 1.00 1.00 ATOM 86 CA GLY 97 21.987 4.756 2.120 1.00 1.00 ATOM 87 CA VAL 98 25.471 5.368 3.439 1.00 1.00 ATOM 88 CA GLU 99 26.127 3.281 6.566 1.00 1.00 ATOM 89 CA ILE 100 28.451 5.599 8.501 1.00 1.00 ATOM 90 CA ALA 101 29.581 9.184 8.344 1.00 1.00 ATOM 91 CA PHE 102 32.778 10.111 10.146 1.00 1.00 ATOM 92 CA THR 103 32.725 13.820 10.915 1.00 1.00 ATOM 93 CA PRO 104 35.400 14.662 13.467 1.00 1.00 ATOM 94 CA THR 105 36.520 18.031 14.773 1.00 1.00 ATOM 95 CA THR 106 39.936 19.481 14.106 1.00 1.00 ATOM 96 CA ALA 107 40.751 19.007 17.786 1.00 1.00 ATOM 97 CA ALA 108 39.794 15.328 17.612 1.00 1.00 ATOM 98 CA MET 109 42.143 14.735 14.669 1.00 1.00 ATOM 99 CA TYR 110 44.912 17.171 15.556 1.00 1.00 ATOM 100 CA PRO 111 44.806 17.605 19.363 1.00 1.00 ATOM 101 CA ASP 112 48.324 19.086 19.415 1.00 1.00 ATOM 102 CA GLY 113 47.941 20.901 16.168 1.00 1.00 ATOM 103 CA LEU 114 49.285 20.001 12.741 1.00 1.00 ATOM 104 CA ARG 115 52.838 21.218 12.893 1.00 1.00 ATOM 107 CA THR 116 53.444 12.847 12.124 1.00 1.00 ATOM 108 CA THR 117 53.191 13.266 8.371 1.00 1.00 ATOM 109 CA VAL 118 53.362 11.226 5.187 1.00 1.00 ATOM 110 CA GLN 119 55.070 12.641 2.119 1.00 1.00 ATOM 111 CA PRO 120 55.079 11.266 -1.428 1.00 1.00 ATOM 112 CA GLY 121 58.257 12.511 -3.173 1.00 1.00 ATOM 113 CA PRO 122 57.924 14.007 -6.610 1.00 1.00 ATOM 114 CA LEU 123 54.192 13.876 -6.998 1.00 1.00 ATOM 115 CA ALA 124 53.659 16.201 -4.085 1.00 1.00 ATOM 116 CA ALA 125 55.839 18.943 -5.438 1.00 1.00 ATOM 117 CA GLU 126 54.894 19.074 -9.075 1.00 1.00 ATOM 118 CA LEU 127 52.222 20.934 -10.978 1.00 1.00 ATOM 119 CA GLU 128 49.624 22.107 -8.417 1.00 1.00 ATOM 120 CA GLY 129 51.860 21.078 -5.552 1.00 1.00 ATOM 121 CA GLY 130 54.628 23.500 -6.687 1.00 1.00 ATOM 122 CA PRO 131 52.298 26.470 -6.087 1.00 1.00 ATOM 123 CA ARG 132 50.822 24.954 -2.912 1.00 1.00 ATOM 124 CA PRO 133 53.690 23.816 -0.704 1.00 1.00 ATOM 125 CA THR 134 52.531 21.427 1.999 1.00 1.00 ATOM 126 CA HIS 135 49.177 20.791 0.352 1.00 1.00 ATOM 127 CA PHE 136 49.735 17.252 -0.904 1.00 1.00 ATOM 128 CA ALA 137 51.621 16.343 2.261 1.00 1.00 ATOM 129 CA GLY 138 48.356 17.269 3.945 1.00 1.00 ATOM 130 CA VAL 139 46.431 15.000 1.615 1.00 1.00 ATOM 131 CA LEU 140 48.706 11.933 2.016 1.00 1.00 ATOM 132 CA THR 141 48.799 12.417 5.818 1.00 1.00 ATOM 133 CA VAL 142 45.062 12.589 6.372 1.00 1.00 ATOM 134 CA VAL 143 44.303 9.791 3.875 1.00 1.00 ATOM 135 CA LEU 144 46.857 7.498 5.551 1.00 1.00 ATOM 136 CA LYS 145 45.341 8.300 8.961 1.00 1.00 ATOM 137 CA LEU 146 41.868 7.599 7.655 1.00 1.00 ATOM 138 CA LEU 147 42.986 4.334 6.146 1.00 1.00 ATOM 139 CA GLN 148 44.351 3.197 9.505 1.00 1.00 ATOM 140 CA ILE 149 41.260 4.308 11.350 1.00 1.00 ATOM 141 CA VAL 150 38.613 2.967 8.941 1.00 1.00 ATOM 142 CA ARG 151 40.628 -0.020 7.592 1.00 1.00 ATOM 143 CA PRO 152 38.725 -0.084 4.309 1.00 1.00 ATOM 144 CA ASP 153 39.043 -2.818 1.711 1.00 1.00 ATOM 145 CA ARG 154 38.379 -0.290 -1.007 1.00 1.00 ATOM 146 CA VAL 155 38.521 3.481 -1.298 1.00 1.00 ATOM 147 CA PHE 156 37.026 5.664 -4.035 1.00 1.00 ATOM 148 CA PHE 157 38.508 8.779 -5.586 1.00 1.00 ATOM 149 CA GLY 158 37.503 10.833 -8.614 1.00 1.00 ATOM 150 CA GLU 159 39.595 10.921 -11.782 1.00 1.00 ATOM 151 CA LYS 160 38.975 14.657 -12.146 1.00 1.00 ATOM 152 CA ASP 161 41.473 15.272 -9.360 1.00 1.00 ATOM 153 CA TYR 162 44.025 13.280 -11.238 1.00 1.00 ATOM 154 CA GLN 163 47.011 14.466 -9.191 1.00 1.00 ATOM 155 CA GLN 164 45.524 13.366 -5.865 1.00 1.00 ATOM 156 CA LEU 165 44.598 10.021 -7.419 1.00 1.00 ATOM 157 CA VAL 166 48.130 9.438 -8.653 1.00 1.00 ATOM 158 CA LEU 167 49.488 10.575 -5.259 1.00 1.00 ATOM 159 CA ILE 168 47.294 8.153 -3.329 1.00 1.00 ATOM 160 CA ARG 169 47.947 5.280 -5.695 1.00 1.00 ATOM 161 CA GLN 170 51.698 5.718 -5.185 1.00 1.00 ATOM 162 CA LEU 171 51.287 6.113 -1.412 1.00 1.00 ATOM 163 CA VAL 172 49.337 2.907 -1.200 1.00 1.00 ATOM 164 CA ALA 173 51.773 0.930 -3.304 1.00 1.00 ATOM 165 CA ASP 174 54.759 2.249 -1.361 1.00 1.00 ATOM 166 CA PHE 175 53.357 2.007 2.144 1.00 1.00 ATOM 167 CA ASN 176 51.960 -1.505 1.777 1.00 1.00 ATOM 168 CA LEU 177 48.272 -0.790 2.405 1.00 1.00 ATOM 169 CA ASP 178 46.087 -3.735 1.297 1.00 1.00 ATOM 170 CA VAL 179 43.461 -1.423 -0.167 1.00 1.00 ATOM 171 CA ALA 180 41.997 -1.341 -3.655 1.00 1.00 ATOM 172 CA VAL 181 41.976 2.272 -4.924 1.00 1.00 ATOM 173 CA VAL 182 39.038 2.835 -7.294 1.00 1.00 ATOM 174 CA GLY 183 39.497 5.792 -9.628 1.00 1.00 ATOM 175 CA VAL 184 35.970 6.830 -10.671 1.00 1.00 ATOM 176 CA PRO 185 35.695 8.353 -14.183 1.00 1.00 ATOM 177 CA THR 186 34.241 11.798 -14.866 1.00 1.00 ATOM 178 CA VAL 187 30.484 11.750 -15.363 1.00 1.00 ATOM 179 CA ARG 188 29.363 12.944 -18.796 1.00 1.00 ATOM 180 CA GLU 189 26.225 14.032 -20.611 1.00 1.00 ATOM 181 CA ALA 190 24.972 11.794 -23.402 1.00 1.00 ATOM 182 CA ASP 191 26.821 13.903 -25.901 1.00 1.00 ATOM 183 CA GLY 192 30.172 13.473 -24.099 1.00 1.00 ATOM 184 CA LEU 193 30.403 16.812 -22.307 1.00 1.00 ATOM 185 CA ALA 194 31.772 16.574 -18.767 1.00 1.00 ATOM 186 CA MET 195 29.030 17.364 -16.287 1.00 1.00 ATOM 187 CA SER 196 29.883 20.503 -14.399 1.00 1.00 ATOM 188 CA SER 197 28.400 23.592 -12.714 1.00 1.00 ATOM 189 CA ARG 198 30.380 25.566 -15.383 1.00 1.00 ATOM 190 CA ASN 199 28.064 24.303 -18.096 1.00 1.00 ATOM 191 CA ARG 200 25.509 26.599 -16.528 1.00 1.00 ATOM 192 CA TYR 201 27.296 29.665 -17.979 1.00 1.00 ATOM 193 CA LEU 202 27.081 28.501 -21.608 1.00 1.00 ATOM 194 CA ASP 203 24.375 29.877 -23.866 1.00 1.00 ATOM 195 CA PRO 204 22.318 27.241 -25.722 1.00 1.00 ATOM 196 CA ALA 205 24.379 27.690 -28.879 1.00 1.00 ATOM 197 CA GLN 206 27.585 27.356 -26.862 1.00 1.00 ATOM 198 CA ARG 207 26.169 24.272 -25.188 1.00 1.00 ATOM 199 CA ALA 208 25.860 22.761 -28.693 1.00 1.00 ATOM 200 CA ALA 209 29.512 23.455 -29.477 1.00 1.00 ATOM 201 CA ALA 210 30.788 22.285 -26.090 1.00 1.00 ATOM 202 CA VAL 211 30.982 18.490 -26.791 1.00 1.00 ATOM 203 CA ALA 212 33.806 19.345 -29.195 1.00 1.00 ATOM 204 CA LEU 213 36.186 19.546 -26.275 1.00 1.00 ATOM 205 CA SER 214 35.773 15.867 -25.478 1.00 1.00 ATOM 206 CA ALA 215 36.057 15.063 -29.150 1.00 1.00 ATOM 207 CA ALA 216 39.413 16.745 -29.315 1.00 1.00 ATOM 208 CA LEU 217 40.509 15.100 -26.065 1.00 1.00 ATOM 209 CA THR 218 39.507 11.693 -27.436 1.00 1.00 ATOM 210 CA ALA 219 41.350 12.478 -30.682 1.00 1.00 ATOM 211 CA ALA 220 44.532 13.136 -28.733 1.00 1.00 ATOM 212 CA ALA 221 44.086 9.826 -26.921 1.00 1.00 ATOM 213 CA HIS 222 43.592 7.962 -30.163 1.00 1.00 ATOM 214 CA ALA 223 46.895 9.328 -31.549 1.00 1.00 ATOM 215 CA ALA 224 48.721 8.474 -28.342 1.00 1.00 ATOM 216 CA THR 225 47.234 5.015 -28.318 1.00 1.00 ATOM 217 CA ALA 226 48.447 4.676 -31.924 1.00 1.00 ATOM 218 CA GLY 227 52.093 5.480 -31.071 1.00 1.00 ATOM 219 CA ALA 228 52.290 9.145 -31.966 1.00 1.00 ATOM 220 CA GLN 229 54.936 10.782 -29.760 1.00 1.00 ATOM 221 CA ALA 230 55.284 14.224 -31.328 1.00 1.00 ATOM 222 CA ALA 231 53.321 15.780 -28.443 1.00 1.00 ATOM 223 CA LEU 232 54.098 19.308 -29.499 1.00 1.00 ATOM 224 CA ASP 233 52.401 18.819 -32.880 1.00 1.00 ATOM 225 CA ALA 234 49.553 16.801 -31.362 1.00 1.00 ATOM 226 CA ALA 235 48.928 19.688 -29.019 1.00 1.00 ATOM 227 CA ARG 236 49.298 22.310 -31.692 1.00 1.00 ATOM 228 CA ALA 237 46.728 20.617 -33.883 1.00 1.00 ATOM 229 CA VAL 238 44.402 20.093 -30.925 1.00 1.00 ATOM 230 CA LEU 239 44.410 23.830 -30.157 1.00 1.00 ATOM 231 CA ASP 240 43.772 24.737 -33.809 1.00 1.00 ATOM 232 CA ALA 241 40.875 22.339 -33.915 1.00 1.00 ATOM 233 CA ALA 242 39.387 23.759 -30.711 1.00 1.00 ATOM 234 CA PRO 243 39.810 27.260 -31.987 1.00 1.00 ATOM 237 CA GLY 244 34.594 28.210 -31.536 1.00 1.00 ATOM 238 CA VAL 245 36.617 27.621 -28.391 1.00 1.00 ATOM 239 CA ALA 246 39.604 29.637 -27.203 1.00 1.00 ATOM 240 CA VAL 247 42.082 26.980 -26.252 1.00 1.00 ATOM 241 CA ASP 248 43.621 27.801 -22.904 1.00 1.00 ATOM 242 CA TYR 249 45.772 24.888 -21.783 1.00 1.00 ATOM 243 CA LEU 250 46.589 21.445 -23.088 1.00 1.00 ATOM 244 CA GLU 251 49.011 19.078 -21.406 1.00 1.00 ATOM 245 CA LEU 252 49.989 15.436 -21.761 1.00 1.00 ATOM 246 CA ARG 253 51.790 13.570 -18.952 1.00 1.00 ATOM 247 CA ASP 254 52.734 10.188 -17.567 1.00 1.00 ATOM 248 CA ILE 255 49.656 9.080 -15.587 1.00 1.00 ATOM 249 CA GLY 256 51.525 7.301 -12.785 1.00 1.00 ATOM 250 CA LEU 257 54.399 9.664 -12.147 1.00 1.00 ATOM 251 CA GLY 258 52.954 12.940 -13.631 1.00 1.00 ATOM 252 CA PRO 259 56.241 13.542 -15.419 1.00 1.00 ATOM 253 CA MET 260 56.812 13.983 -19.112 1.00 1.00 ATOM 254 CA PRO 261 55.767 10.935 -21.074 1.00 1.00 ATOM 257 CA LEU 262 58.860 3.939 -19.867 1.00 1.00 ATOM 258 CA ASN 263 55.438 5.527 -19.627 1.00 1.00 ATOM 259 CA GLY 264 52.614 2.958 -19.801 1.00 1.00 ATOM 260 CA SER 265 49.654 5.263 -19.280 1.00 1.00 ATOM 261 CA GLY 266 49.207 8.919 -20.165 1.00 1.00 ATOM 262 CA ARG 267 46.873 11.555 -18.755 1.00 1.00 ATOM 263 CA LEU 268 45.623 14.331 -21.028 1.00 1.00 ATOM 264 CA LEU 269 44.339 17.611 -19.542 1.00 1.00 ATOM 265 CA VAL 270 42.499 20.226 -21.630 1.00 1.00 ATOM 266 CA ALA 271 40.991 23.649 -20.691 1.00 1.00 ATOM 267 CA ALA 272 39.262 25.854 -23.227 1.00 1.00 ATOM 268 CA ARG 273 37.114 28.931 -22.991 1.00 1.00 ATOM 269 CA LEU 274 33.651 28.980 -24.541 1.00 1.00 ATOM 270 CA GLY 275 31.722 32.141 -23.733 1.00 1.00 ATOM 271 CA THR 276 32.140 32.905 -20.045 1.00 1.00 ATOM 272 CA THR 277 32.860 29.272 -19.286 1.00 1.00 ATOM 273 CA ARG 278 36.341 27.855 -18.859 1.00 1.00 ATOM 274 CA LEU 279 35.603 24.181 -19.562 1.00 1.00 ATOM 275 CA LEU 280 37.951 21.549 -18.260 1.00 1.00 ATOM 276 CA ASP 281 38.373 17.841 -18.980 1.00 1.00 ATOM 277 CA ASN 282 40.847 14.990 -18.649 1.00 1.00 ATOM 278 CA ILE 283 41.307 11.456 -19.844 1.00 1.00 ATOM 279 CA ALA 284 43.739 8.657 -19.117 1.00 1.00 ATOM 280 CA ILE 285 44.944 6.460 -21.967 1.00 1.00 ATOM 281 CA GLU 286 46.711 3.119 -21.805 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:54:28 2002 Date: Tue, 30 Jul 2002 06:54:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:27:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_394702_17572 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS189_2 Current information on models submitted in prediction T0154TS189 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_2 PIN_394702_17572 5035-2079-5263 07/30/02 06:27:06 casp5@bialko.llnl.gov T0154TS189_4 PIN_362206_17561 5035-2079-5263 07/30/02 06:23:51 casp5@bialko.llnl.gov T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_2 PIN_394702_17572 5035-2079-5263 07/30/02 06:27:06 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 casp5@bialko.llnl.gov T0154TS189_4 PIN_362206_17561 5035-2079-5263 07/30/02 06:23:51 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 T0154 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1COZ_A # Loading PARENT structure: 1coz (chain: A) # Number of residues in PARENT structure: 126 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # 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 R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 89 # Total number of atoms in model: 89 # Number of atoms with 1.0 occupancy: 89 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 89 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1COZ_A ATOM 2 CA ARG 32 40.985 22.673 -9.550 1.00 1.00 ATOM 3 CA ARG 33 37.896 20.480 -10.042 1.00 1.00 ATOM 4 CA VAL 34 34.370 21.887 -10.347 1.00 1.00 ATOM 5 CA MET 35 31.009 20.078 -10.074 1.00 1.00 ATOM 6 CA LEU 36 27.432 21.093 -10.897 1.00 1.00 ATOM 7 CA VAL 37 24.103 19.219 -10.926 1.00 1.00 ATOM 8 CA PRO 38 21.115 19.364 -13.226 1.00 1.00 ATOM 9 CA THR 39 18.895 17.628 -15.759 1.00 1.00 ATOM 10 CA MET 40 20.015 19.363 -18.967 1.00 1.00 ATOM 11 CA GLY 41 17.093 17.927 -20.926 1.00 1.00 ATOM 12 CA ALA 42 16.431 20.200 -23.919 1.00 1.00 ATOM 13 CA LEU 43 19.870 21.835 -24.084 1.00 1.00 ATOM 14 CA HIS 44 19.556 25.600 -24.519 1.00 1.00 ATOM 15 CA GLU 45 21.752 28.716 -24.295 1.00 1.00 ATOM 16 CA GLY 46 20.998 29.149 -20.573 1.00 1.00 ATOM 17 CA HIS 47 22.536 25.741 -19.898 1.00 1.00 ATOM 18 CA LEU 48 25.540 26.699 -22.092 1.00 1.00 ATOM 19 CA ALA 49 26.189 29.932 -20.214 1.00 1.00 ATOM 20 CA LEU 50 26.040 28.065 -16.915 1.00 1.00 ATOM 21 CA VAL 51 28.543 25.469 -18.163 1.00 1.00 ATOM 22 CA ARG 52 30.759 28.217 -19.522 1.00 1.00 ATOM 23 CA ALA 53 30.868 30.110 -16.238 1.00 1.00 ATOM 24 CA ALA 54 31.252 26.960 -14.135 1.00 1.00 ATOM 25 CA LYS 55 34.231 25.792 -16.185 1.00 1.00 ATOM 26 CA ARG 56 35.946 29.159 -15.796 1.00 1.00 ATOM 27 CA PRO 58 36.051 28.575 -12.031 1.00 1.00 ATOM 28 CA GLY 59 38.456 25.645 -12.381 1.00 1.00 ATOM 29 CA SER 60 40.442 23.389 -14.692 1.00 1.00 ATOM 30 CA VAL 61 38.096 20.475 -14.899 1.00 1.00 ATOM 31 CA VAL 62 34.250 20.390 -14.893 1.00 1.00 ATOM 32 CA VAL 63 32.218 17.348 -13.833 1.00 1.00 ATOM 33 CA VAL 64 28.450 17.473 -14.493 1.00 1.00 ATOM 34 CA SER 65 26.209 15.187 -12.481 1.00 1.00 ATOM 35 CA ILE 66 22.885 14.691 -14.308 1.00 1.00 ATOM 36 CA PHE 67 19.626 13.145 -13.073 1.00 1.00 ATOM 37 CA VAL 68 19.144 9.550 -14.083 1.00 1.00 ATOM 38 CA ASN 69 15.747 8.541 -15.445 1.00 1.00 ATOM 39 CA PRO 70 15.045 6.629 -12.201 1.00 1.00 ATOM 40 CA MET 71 15.727 9.713 -10.111 1.00 1.00 ATOM 41 CA GLN 72 13.531 11.727 -12.458 1.00 1.00 ATOM 42 CA ALA 75 10.698 9.240 -11.938 1.00 1.00 ATOM 43 CA GLY 76 11.228 9.732 -8.186 1.00 1.00 ATOM 44 CA GLU 77 11.054 13.495 -8.671 1.00 1.00 ATOM 45 CA ASP 78 7.987 13.050 -10.971 1.00 1.00 ATOM 46 CA LEU 79 9.848 15.267 -13.448 1.00 1.00 ATOM 47 CA ASP 80 10.133 13.327 -16.671 1.00 1.00 ATOM 48 CA ALA 81 12.825 14.416 -19.163 1.00 1.00 ATOM 49 CA TYR 82 12.160 14.362 -22.863 1.00 1.00 ATOM 50 CA PRO 83 15.620 12.868 -23.583 1.00 1.00 ATOM 51 CA ARG 84 16.892 9.782 -21.817 1.00 1.00 ATOM 52 CA THR 85 19.829 9.818 -19.426 1.00 1.00 ATOM 53 CA PRO 86 21.979 8.123 -22.059 1.00 1.00 ATOM 54 CA ASP 87 21.185 10.755 -24.648 1.00 1.00 ATOM 55 CA ASP 88 21.477 13.706 -22.277 1.00 1.00 ATOM 56 CA ASP 89 24.926 12.453 -21.175 1.00 1.00 ATOM 57 CA LEU 90 26.002 11.779 -24.773 1.00 1.00 ATOM 58 CA ALA 91 25.153 15.344 -25.791 1.00 1.00 ATOM 59 CA GLN 92 26.745 16.861 -22.681 1.00 1.00 ATOM 60 CA LEU 93 29.987 15.024 -23.352 1.00 1.00 ATOM 61 CA ARG 94 30.387 16.876 -26.679 1.00 1.00 ATOM 62 CA ALA 95 30.235 20.366 -25.123 1.00 1.00 ATOM 63 CA GLU 96 33.753 21.798 -24.962 1.00 1.00 ATOM 64 CA GLY 97 33.366 22.877 -21.333 1.00 1.00 ATOM 65 CA VAL 98 32.416 19.494 -19.967 1.00 1.00 ATOM 66 CA GLU 99 35.167 17.162 -18.836 1.00 1.00 ATOM 67 CA ILE 100 33.186 14.403 -17.242 1.00 1.00 ATOM 68 CA ALA 101 29.525 13.439 -16.719 1.00 1.00 ATOM 69 CA PHE 102 28.388 11.274 -13.765 1.00 1.00 ATOM 70 CA THR 103 24.918 10.082 -12.752 1.00 1.00 ATOM 71 CA PRO 104 22.881 11.932 -10.100 1.00 1.00 ATOM 72 CA THR 105 20.790 9.166 -8.471 1.00 1.00 ATOM 78 CA THR 106 28.861 15.179 0.066 1.00 1.00 ATOM 79 CA ALA 107 30.329 11.857 -1.085 1.00 1.00 ATOM 80 CA ALA 108 30.646 13.081 -4.680 1.00 1.00 ATOM 81 CA MET 109 32.738 16.015 -3.448 1.00 1.00 ATOM 82 CA TYR 110 34.919 13.414 -1.681 1.00 1.00 ATOM 83 CA PRO 111 34.940 10.786 -4.434 1.00 1.00 ATOM 84 CA ASP 112 35.846 13.254 -7.201 1.00 1.00 ATOM 85 CA GLY 113 38.026 15.543 -5.116 1.00 1.00 ATOM 86 CA LEU 114 35.925 18.563 -5.914 1.00 1.00 ATOM 87 CA ARG 115 37.255 22.042 -5.107 1.00 1.00 ATOM 88 CA THR 116 34.351 24.159 -6.355 1.00 1.00 ATOM 89 CA THR 117 30.606 23.330 -6.183 1.00 1.00 ATOM 90 CA VAL 118 28.404 25.435 -8.483 1.00 1.00 ATOM 91 CA GLN 119 24.587 25.723 -8.551 1.00 1.00 ATOM 92 CA PRO 120 22.082 28.218 -9.884 1.00 1.00 ATOM 93 CA GLY 121 21.232 30.959 -7.408 1.00 1.00 ATOM 94 CA PRO 122 17.719 29.498 -7.201 1.00 1.00 ATOM 95 CA LEU 123 19.478 27.122 -4.755 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:46:29 2002 Date: Tue, 30 Jul 2002 06:46:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:19:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_313268_17546 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS189_3 Current information on models submitted in prediction T0154TS189 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1QJC_A # Loading PARENT structure: 1qjc (chain: A) # Number of residues in PARENT structure: 157 # 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 R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue F 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 65 # Total number of atoms in model: 65 # Number of atoms with 1.0 occupancy: 65 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 65 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1QJC_A ATOM 3 CA ARG 32 6.639 35.849 53.304 1.00 1.00 ATOM 4 CA ARG 33 6.085 33.406 50.438 1.00 1.00 ATOM 5 CA VAL 34 9.163 32.358 48.484 1.00 1.00 ATOM 6 CA MET 35 9.374 30.344 45.280 1.00 1.00 ATOM 7 CA LEU 36 12.255 28.053 44.351 1.00 1.00 ATOM 8 CA VAL 37 11.787 27.170 40.646 1.00 1.00 ATOM 9 CA PRO 38 13.679 24.675 38.521 1.00 1.00 ATOM 10 CA THR 39 13.431 21.552 36.391 1.00 1.00 ATOM 11 CA MET 40 14.647 19.308 39.227 1.00 1.00 ATOM 12 CA GLY 41 15.323 16.480 36.778 1.00 1.00 ATOM 13 CA ALA 42 15.954 14.842 39.142 1.00 1.00 ATOM 14 CA LEU 43 16.119 16.631 42.495 1.00 1.00 ATOM 15 CA HIS 44 19.580 16.398 44.080 1.00 1.00 ATOM 16 CA GLU 45 21.152 16.858 47.516 1.00 1.00 ATOM 17 CA GLY 46 22.245 20.278 46.304 1.00 1.00 ATOM 18 CA HIS 47 18.599 21.201 45.739 1.00 1.00 ATOM 19 CA LEU 48 17.655 19.826 49.153 1.00 1.00 ATOM 20 CA ALA 49 20.474 21.861 50.692 1.00 1.00 ATOM 21 CA LEU 50 19.216 25.073 49.090 1.00 1.00 ATOM 22 CA VAL 51 15.518 24.563 49.831 1.00 1.00 ATOM 23 CA ARG 52 16.324 23.649 53.427 1.00 1.00 ATOM 24 CA ALA 53 18.288 26.869 53.907 1.00 1.00 ATOM 25 CA ALA 54 15.373 28.773 52.392 1.00 1.00 ATOM 26 CA LYS 55 12.797 27.273 54.777 1.00 1.00 ATOM 27 CA ARG 56 14.845 28.664 57.663 1.00 1.00 ATOM 28 CA PRO 58 14.515 32.240 56.379 1.00 1.00 ATOM 29 CA GLY 59 11.016 32.327 54.921 1.00 1.00 ATOM 30 CA SER 60 7.606 31.223 56.209 1.00 1.00 ATOM 31 CA VAL 61 6.524 29.236 53.162 1.00 1.00 ATOM 32 CA VAL 62 8.600 27.922 50.279 1.00 1.00 ATOM 33 CA VAL 63 7.110 26.730 47.013 1.00 1.00 ATOM 34 CA VAL 64 9.437 24.285 45.286 1.00 1.00 ATOM 35 CA SER 65 8.176 24.924 41.759 1.00 1.00 ATOM 36 CA ILE 66 8.893 22.242 39.159 1.00 1.00 ATOM 37 CA PHE 67 8.949 23.366 35.521 1.00 1.00 ATOM 38 CA VAL 68 6.357 21.362 33.667 1.00 1.00 ATOM 39 CA ASN 69 7.340 22.047 30.092 1.00 1.00 ATOM 40 CA PRO 70 11.008 22.112 29.435 1.00 1.00 ATOM 41 CA MET 71 12.476 22.177 25.896 1.00 1.00 ATOM 42 CA GLN 72 14.890 19.497 26.618 1.00 1.00 ATOM 43 CA ALA 81 12.873 16.421 27.213 1.00 1.00 ATOM 44 CA TYR 82 13.364 15.390 30.874 1.00 1.00 ATOM 45 CA PRO 83 14.798 12.173 32.016 1.00 1.00 ATOM 46 CA ARG 84 11.921 11.941 34.476 1.00 1.00 ATOM 47 CA THR 85 8.406 13.142 33.665 1.00 1.00 ATOM 48 CA PRO 86 6.891 16.130 35.468 1.00 1.00 ATOM 49 CA ASP 87 4.719 13.775 37.504 1.00 1.00 ATOM 50 CA ASP 88 7.775 11.700 38.451 1.00 1.00 ATOM 51 CA ASP 89 9.845 14.764 39.323 1.00 1.00 ATOM 52 CA LEU 90 7.045 16.065 41.546 1.00 1.00 ATOM 53 CA ALA 91 6.714 12.699 43.286 1.00 1.00 ATOM 54 CA GLN 92 10.461 12.467 43.890 1.00 1.00 ATOM 55 CA LEU 93 10.682 16.046 45.162 1.00 1.00 ATOM 56 CA ARG 94 7.673 15.576 47.437 1.00 1.00 ATOM 57 CA ALA 95 9.212 12.491 49.010 1.00 1.00 ATOM 58 CA GLU 96 12.660 14.077 49.346 1.00 1.00 ATOM 59 CA GLY 97 11.204 17.142 51.103 1.00 1.00 ATOM 65 CA VAL 98 7.828 23.368 51.749 1.00 1.00 ATOM 66 CA GLU 99 5.208 22.909 49.048 1.00 1.00 ATOM 67 CA ILE 100 6.096 21.057 45.840 1.00 1.00 ATOM 68 CA ALA 101 4.064 22.246 42.850 1.00 1.00 ATOM 69 CA PHE 102 4.394 21.790 39.119 1.00 1.00 ATOM 70 CA THR 103 3.843 24.659 36.702 1.00 1.00 ATOM 71 CA PRO 104 3.889 25.379 32.977 1.00 1.00 ATOM 72 CA THR 105 4.634 28.494 30.890 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 06:51:18 2002 Date: Tue, 30 Jul 2002 06:51:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0154 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 06:23:51 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_362206_17561 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0154TS189_4 Current information on models submitted in prediction T0154TS189 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_4 PIN_362206_17561 5035-2079-5263 07/30/02 06:23:51 casp5@bialko.llnl.gov T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 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 T0154 MODEL_INDEX PIN CODE DATE E-mail T0154TS189_1 PIN_369852_17560 5035-2079-5263 07/30/02 06:23:33 casp5@bialko.llnl.gov T0154TS189_3 PIN_313268_17546 5035-2079-5263 07/30/02 06:19:08 casp5@bialko.llnl.gov T0154TS189_4 PIN_362206_17561 5035-2079-5263 07/30/02 06:23:51 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 T0154 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1EJ2_A # Loading PARENT structure: 1ej2 (chain: A) # Number of residues in PARENT structure: 167 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # 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 R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue M 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 69 # IMPORTANT NOTE! Not complete main chain atoms for residue P 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue M 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue P 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue P 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue T 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue L 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue P 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 157 # IMPORTANT NOTE! Not complete main chain atoms for residue G 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue F 175 # IMPORTANT NOTE! Not complete main chain atoms for residue N 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue D 178 # IMPORTANT NOTE! Not complete main chain atoms for residue V 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue V 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue N 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue R 207 # IMPORTANT NOTE! Not complete main chain atoms for residue A 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0154 # Total number of residues in target: 309 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0154 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1EJ2_A ATOM 4 CA ARG 32 9.305 24.462 30.159 1.00 1.00 ATOM 5 CA ARG 33 12.822 23.241 30.788 1.00 1.00 ATOM 6 CA VAL 34 14.899 23.697 33.921 1.00 1.00 ATOM 7 CA MET 35 18.663 23.434 34.519 1.00 1.00 ATOM 8 CA LEU 36 20.394 21.835 37.459 1.00 1.00 ATOM 9 CA VAL 37 24.218 21.805 37.750 1.00 1.00 ATOM 10 CA PRO 38 26.124 19.548 40.156 1.00 1.00 ATOM 11 CA THR 39 29.451 17.698 40.432 1.00 1.00 ATOM 12 CA MET 40 27.582 14.569 41.570 1.00 1.00 ATOM 13 CA GLY 41 30.584 13.168 43.476 1.00 1.00 ATOM 14 CA ALA 42 28.808 10.800 43.766 1.00 1.00 ATOM 15 CA LEU 43 25.089 11.261 42.974 1.00 1.00 ATOM 16 CA HIS 44 23.244 10.946 46.333 1.00 1.00 ATOM 17 CA GLU 45 19.721 10.853 47.812 1.00 1.00 ATOM 18 CA GLY 46 19.759 14.668 48.164 1.00 1.00 ATOM 19 CA HIS 47 20.292 15.026 44.398 1.00 1.00 ATOM 20 CA LEU 48 17.513 12.549 43.836 1.00 1.00 ATOM 21 CA ALA 49 14.932 14.313 46.054 1.00 1.00 ATOM 22 CA LEU 50 15.643 17.726 44.498 1.00 1.00 ATOM 23 CA VAL 51 15.360 16.305 40.981 1.00 1.00 ATOM 24 CA ARG 52 12.011 14.689 41.642 1.00 1.00 ATOM 25 CA ALA 53 10.483 17.909 42.939 1.00 1.00 ATOM 26 CA ALA 54 11.957 19.940 40.086 1.00 1.00 ATOM 27 CA LYS 55 10.268 17.506 37.744 1.00 1.00 ATOM 28 CA ARG 56 6.941 18.520 39.281 1.00 1.00 ATOM 29 CA PRO 58 7.322 22.083 37.929 1.00 1.00 ATOM 30 CA GLY 59 9.149 21.653 34.600 1.00 1.00 ATOM 31 CA SER 60 8.596 19.350 31.659 1.00 1.00 ATOM 32 CA VAL 61 12.235 18.398 31.128 1.00 1.00 ATOM 33 CA VAL 62 15.311 18.947 33.288 1.00 1.00 ATOM 34 CA VAL 63 18.799 19.522 31.873 1.00 1.00 ATOM 35 CA VAL 64 21.262 17.997 34.341 1.00 1.00 ATOM 36 CA SER 65 24.829 19.216 33.839 1.00 1.00 ATOM 37 CA ILE 66 27.574 17.249 35.504 1.00 1.00 ATOM 38 CA ASN 69 30.006 20.009 36.415 1.00 1.00 ATOM 39 CA PRO 70 33.777 19.654 36.809 1.00 1.00 ATOM 40 CA MET 71 33.633 16.984 34.135 1.00 1.00 ATOM 41 CA GLN 72 37.398 17.145 33.651 1.00 1.00 ATOM 42 CA PHE 73 38.182 16.193 37.304 1.00 1.00 ATOM 43 CA GLY 74 38.475 12.620 38.598 1.00 1.00 ATOM 44 CA ALA 75 40.724 10.671 40.952 1.00 1.00 ATOM 45 CA GLY 76 41.053 13.182 43.796 1.00 1.00 ATOM 46 CA ASP 80 39.471 13.022 47.261 1.00 1.00 ATOM 47 CA ALA 81 37.056 15.769 46.355 1.00 1.00 ATOM 48 CA TYR 82 36.272 14.524 42.820 1.00 1.00 ATOM 49 CA PRO 83 36.869 10.748 42.709 1.00 1.00 ATOM 50 CA ARG 84 34.713 9.720 39.788 1.00 1.00 ATOM 51 CA THR 85 35.098 10.438 36.082 1.00 1.00 ATOM 52 CA PRO 86 32.236 12.235 34.289 1.00 1.00 ATOM 53 CA ASP 87 31.401 8.983 32.465 1.00 1.00 ATOM 54 CA ASP 88 31.085 7.046 35.730 1.00 1.00 ATOM 55 CA ASP 89 28.840 9.828 36.954 1.00 1.00 ATOM 56 CA LEU 90 26.744 9.656 33.779 1.00 1.00 ATOM 57 CA ALA 91 26.156 6.016 34.685 1.00 1.00 ATOM 58 CA GLN 92 25.239 6.754 38.280 1.00 1.00 ATOM 59 CA LEU 93 22.678 9.278 37.132 1.00 1.00 ATOM 60 CA ARG 94 21.217 7.102 34.411 1.00 1.00 ATOM 61 CA ALA 95 20.796 4.089 36.657 1.00 1.00 ATOM 62 CA GLU 96 19.409 6.084 39.567 1.00 1.00 ATOM 63 CA GLY 97 16.737 8.004 37.652 1.00 1.00 ATOM 64 CA THR 106 15.872 4.824 35.746 1.00 1.00 ATOM 65 CA ALA 107 15.627 2.868 39.056 1.00 1.00 ATOM 66 CA ALA 108 13.232 5.545 40.288 1.00 1.00 ATOM 67 CA MET 109 11.120 5.240 37.174 1.00 1.00 ATOM 68 CA TYR 110 11.758 8.736 35.738 1.00 1.00 ATOM 69 CA PRO 111 11.598 8.375 31.921 1.00 1.00 ATOM 70 CA ASP 112 14.779 9.316 29.994 1.00 1.00 ATOM 71 CA GLY 113 12.804 11.693 27.775 1.00 1.00 ATOM 72 CA LEU 114 12.346 13.909 30.818 1.00 1.00 ATOM 73 CA ARG 115 15.964 14.851 31.264 1.00 1.00 ATOM 74 CA THR 116 19.335 15.432 29.631 1.00 1.00 ATOM 75 CA THR 117 22.706 14.465 31.070 1.00 1.00 ATOM 76 CA VAL 118 25.460 16.796 29.843 1.00 1.00 ATOM 77 CA GLN 119 29.015 16.711 31.222 1.00 1.00 ATOM 78 CA PRO 120 30.504 20.194 31.390 1.00 1.00 ATOM 79 CA GLY 121 34.184 20.839 31.922 1.00 1.00 ATOM 80 CA PRO 122 35.037 23.804 34.144 1.00 1.00 ATOM 81 CA LEU 123 36.643 26.889 32.634 1.00 1.00 ATOM 82 CA ALA 124 38.990 29.523 33.898 1.00 1.00 ATOM 83 CA ALA 125 36.701 32.565 33.659 1.00 1.00 ATOM 84 CA VAL 139 33.634 32.547 35.890 1.00 1.00 ATOM 85 CA LEU 140 32.408 35.483 33.839 1.00 1.00 ATOM 86 CA THR 141 32.080 33.200 30.806 1.00 1.00 ATOM 87 CA VAL 142 30.635 30.170 32.546 1.00 1.00 ATOM 88 CA VAL 143 26.931 30.912 32.077 1.00 1.00 ATOM 89 CA LEU 144 27.653 31.333 28.346 1.00 1.00 ATOM 90 CA LYS 145 29.644 28.063 28.360 1.00 1.00 ATOM 91 CA LEU 146 26.647 26.185 29.831 1.00 1.00 ATOM 92 CA LEU 147 24.307 27.830 27.322 1.00 1.00 ATOM 93 CA GLN 148 26.546 26.821 24.447 1.00 1.00 ATOM 94 CA ILE 149 26.468 23.182 25.498 1.00 1.00 ATOM 95 CA VAL 150 22.788 22.781 26.331 1.00 1.00 ATOM 96 CA ARG 151 19.214 22.950 25.000 1.00 1.00 ATOM 97 CA PRO 152 17.502 26.307 25.841 1.00 1.00 ATOM 99 CA ASP 153 13.742 28.801 31.386 1.00 1.00 ATOM 100 CA ARG 154 14.752 28.343 35.006 1.00 1.00 ATOM 101 CA VAL 155 17.845 27.489 36.954 1.00 1.00 ATOM 102 CA PHE 156 17.920 25.457 40.155 1.00 1.00 ATOM 103 CA PHE 157 20.932 25.618 42.447 1.00 1.00 ATOM 104 CA GLY 158 22.002 25.805 46.059 1.00 1.00 ATOM 105 CA GLU 159 25.561 26.897 45.042 1.00 1.00 ATOM 106 CA VAL 166 26.202 30.637 45.760 1.00 1.00 ATOM 107 CA LEU 167 28.575 31.130 42.776 1.00 1.00 ATOM 108 CA ILE 168 26.227 29.430 40.373 1.00 1.00 ATOM 109 CA ARG 169 23.316 31.461 41.790 1.00 1.00 ATOM 110 CA GLN 170 25.100 34.749 41.438 1.00 1.00 ATOM 111 CA LEU 171 26.407 34.180 37.879 1.00 1.00 ATOM 112 CA VAL 172 23.029 33.154 36.530 1.00 1.00 ATOM 113 CA ALA 173 21.372 35.955 38.439 1.00 1.00 ATOM 114 CA ASP 174 23.675 38.573 36.914 1.00 1.00 ATOM 115 CA PHE 175 22.893 37.072 33.525 1.00 1.00 ATOM 116 CA ASN 176 19.212 37.790 34.089 1.00 1.00 ATOM 117 CA LEU 177 17.974 34.314 35.070 1.00 1.00 ATOM 118 CA ASP 178 15.582 33.594 37.874 1.00 1.00 ATOM 119 CA VAL 179 17.323 31.163 40.149 1.00 1.00 ATOM 120 CA ALA 180 15.554 28.899 42.633 1.00 1.00 ATOM 121 CA VAL 181 17.405 27.444 45.625 1.00 1.00 ATOM 122 CA VAL 182 15.244 24.430 46.595 1.00 1.00 ATOM 123 CA GLY 183 15.107 23.487 50.318 1.00 1.00 ATOM 124 CA VAL 184 17.960 21.146 51.172 1.00 1.00 ATOM 125 CA SER 196 16.882 17.547 51.897 1.00 1.00 ATOM 126 CA SER 197 18.754 16.340 55.026 1.00 1.00 ATOM 127 CA ARG 198 21.640 18.734 54.433 1.00 1.00 ATOM 128 CA ASN 199 23.709 17.220 57.233 1.00 1.00 ATOM 129 CA ARG 200 23.900 13.743 55.711 1.00 1.00 ATOM 130 CA TYR 201 23.075 14.293 52.027 1.00 1.00 ATOM 131 CA LEU 202 26.288 15.926 50.724 1.00 1.00 ATOM 132 CA ASP 203 29.053 14.538 48.578 1.00 1.00 ATOM 133 CA PRO 204 31.498 15.537 51.317 1.00 1.00 ATOM 134 CA ALA 205 29.758 13.402 53.929 1.00 1.00 ATOM 135 CA GLN 206 29.410 10.446 51.528 1.00 1.00 ATOM 136 CA ARG 207 33.103 10.565 50.670 1.00 1.00 ATOM 137 CA ALA 208 34.032 11.013 54.335 1.00 1.00 ATOM 138 CA ALA 209 32.101 7.795 55.190 1.00 1.00 TER END ################################ # # # END # # # ################################