From mailer@bialko.llnl.gov Mon Aug 19 22:15:39 2002 Date: Mon, 19 Aug 2002 22:15:33 -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 21:47:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_608550_28475 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195SS389_1 Current information on models submitted in prediction T0195SS389 MODEL_INDEX PIN CODE DATE E-mail T0195SS389_1 PIN_608550_28475 1549-8716-6404 08/19/02 21:47:41 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195SS389_1 PIN_608550_28475 1549-8716-6404 08/19/02 21:47:41 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 T0195 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: 299 # Number of residues with nonzero confidence: 299 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0195 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0195.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0195.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0195.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 T0195.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0195 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 T0195.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 T0195.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0195 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 T0195.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 T0195.t2k.str.rdb METHOD ============================================ METHOD TARGET T0195 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 T0195.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 0.90 K C 0.49 V E 0.52 V E 0.51 K E 0.50 E E 0.49 F E 0.49 S E 0.58 V E 0.55 C C 0.54 G C 0.81 G C 0.79 R E 0.56 L E 0.84 I E 0.91 K E 0.94 L E 0.93 S E 0.93 H E 0.82 N E 0.63 S C 0.57 N C 0.58 S C 0.53 T C 0.68 K C 0.84 T C 0.76 S C 0.68 M E 0.56 N E 0.67 V E 0.90 N E 0.95 I E 0.96 Y E 0.94 L E 0.75 P C 0.72 K C 0.81 H C 0.75 Y C 0.76 Y C 0.79 A C 0.72 Q C 0.70 D C 0.71 F C 0.75 P C 0.72 R C 0.75 N C 0.81 K C 0.89 R C 0.89 I C 0.87 P C 0.72 T E 0.92 V E 0.97 F E 0.97 Y E 0.96 L E 0.84 S C 0.54 G C 0.84 L C 0.82 T C 0.85 C C 0.88 T C 0.91 P H 0.63 D H 0.73 N H 0.78 A H 0.84 S H 0.84 E H 0.83 K H 0.81 A H 0.73 F H 0.71 W H 0.89 Q H 0.93 F H 0.95 Q H 0.96 A H 0.96 D H 0.94 K H 0.84 Y C 0.62 G C 0.94 F E 0.53 A E 0.96 I E 0.97 V E 0.96 F E 0.77 P C 0.64 D C 0.80 T C 0.83 S C 0.92 P C 0.90 R C 0.90 G C 0.86 D C 0.81 E C 0.65 V C 0.66 A C 0.75 N C 0.79 D C 0.81 P C 0.78 E C 0.70 G C 0.65 S C 0.63 W C 0.57 D C 0.59 F C 0.70 G C 0.80 Q C 0.82 G C 0.76 A C 0.67 G C 0.50 F E 0.69 Y E 0.71 L E 0.57 N C 0.58 A C 0.62 T C 0.62 Q C 0.62 E C 0.71 P C 0.63 Y C 0.57 A C 0.56 Q C 0.67 H C 0.82 Y C 0.63 Q C 0.48 M H 0.73 Y H 0.80 D H 0.84 Y H 0.85 I H 0.88 H H 0.89 K H 0.92 E H 0.92 L H 0.93 P H 0.96 Q H 0.95 T H 0.95 L H 0.91 D H 0.82 S H 0.66 H H 0.54 F C 0.72 N C 0.79 K C 0.72 N C 0.76 G C 0.68 D H 0.49 V H 0.59 K H 0.60 L H 0.57 D H 0.50 F C 0.41 L C 0.57 D C 0.72 N C 0.64 V E 0.55 A E 0.72 I E 0.84 T E 0.68 G C 0.59 H C 0.66 S C 0.68 M C 0.50 G H 0.59 G H 0.90 Y H 0.96 G H 0.97 A H 0.97 I H 0.97 C H 0.97 G H 0.96 Y H 0.93 L H 0.80 K H 0.58 G C 0.74 Y C 0.89 S C 0.89 G C 0.80 K C 0.74 R C 0.53 Y E 0.55 K E 0.66 S E 0.81 C E 0.73 S E 0.69 A E 0.60 F E 0.44 A C 0.52 P C 0.56 I C 0.59 V C 0.69 N C 0.85 P H 0.54 S C 0.50 N C 0.50 V C 0.85 P C 0.64 W H 0.61 G H 0.73 Q H 0.85 K H 0.84 A H 0.85 F H 0.84 K H 0.83 G H 0.80 Y H 0.70 L C 0.50 G C 0.77 E C 0.72 E C 0.64 K H 0.59 A H 0.64 Q H 0.65 W H 0.66 E H 0.63 A H 0.60 Y H 0.49 D C 0.58 P H 0.88 C H 0.91 L H 0.92 L H 0.91 I H 0.89 K H 0.80 N H 0.65 I C 0.54 R C 0.69 H C 0.79 V C 0.73 G C 0.80 D C 0.76 D C 0.77 R C 0.64 I E 0.80 L E 0.91 I E 0.90 H E 0.84 V E 0.53 G C 0.77 D C 0.80 S C 0.72 D C 0.59 P H 0.51 F C 0.50 L H 0.57 E H 0.64 E H 0.62 H H 0.49 L C 0.73 K C 0.88 P H 0.78 E H 0.84 L H 0.91 L H 0.95 L H 0.96 E H 0.95 A H 0.95 V H 0.93 K H 0.90 A H 0.80 T H 0.56 S C 0.75 W C 0.87 Q C 0.94 D C 0.86 Y C 0.62 V E 0.84 E E 0.94 I E 0.94 K E 0.92 K E 0.68 V C 0.73 H C 0.91 G C 0.92 F C 0.84 D C 0.77 H C 0.62 S H 0.48 Y H 0.76 Y H 0.81 F H 0.84 V H 0.86 S H 0.86 T H 0.85 F H 0.79 V H 0.90 P H 0.96 E H 0.96 H H 0.96 A H 0.97 E H 0.97 F H 0.97 H H 0.97 A H 0.96 R H 0.93 N H 0.85 L H 0.61 G C 0.63 L C 0.73 I C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:34:18 2002 Date: Mon, 26 Aug 2002 12:34:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 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 Mon Aug 26 12:06:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_213074_34754 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS189_1 Current information on models submitted in prediction T0195TS189 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_1 PIN_213074_34754 5035-2079-5263 08/26/02 12:06:16 casp5@bialko.llnl.gov T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_1 PIN_213074_34754 5035-2079-5263 08/26/02 12:06:16 casp5@bialko.llnl.gov T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1DQY_A # Loading PARENT structure: 1dqy (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 V 9 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 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 Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue W 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 216 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue C 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 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 K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 241 # Total number of atoms in model: 241 # Number of atoms with 1.0 occupancy: 241 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 241 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1DQY_A ATOM 3 CA VAL 9 83.909 19.576 33.367 1.00 1.00 ATOM 4 CA CYS 10 86.228 21.860 35.401 1.00 1.00 ATOM 5 CA GLY 11 89.829 20.720 35.614 1.00 1.00 ATOM 6 CA GLY 12 90.020 19.893 31.927 1.00 1.00 ATOM 7 CA ARG 13 91.971 22.601 30.038 1.00 1.00 ATOM 8 CA LEU 14 89.406 22.819 27.239 1.00 1.00 ATOM 9 CA ILE 15 89.561 26.021 25.221 1.00 1.00 ATOM 10 CA LYS 16 86.978 27.483 22.857 1.00 1.00 ATOM 11 CA LEU 17 88.741 28.864 19.824 1.00 1.00 ATOM 12 CA SER 18 87.465 31.049 17.008 1.00 1.00 ATOM 13 CA HIS 19 89.330 29.873 13.914 1.00 1.00 ATOM 14 CA ASN 20 88.798 32.006 10.777 1.00 1.00 ATOM 15 CA SER 21 87.879 30.110 7.627 1.00 1.00 ATOM 16 CA ASN 22 88.793 32.182 4.585 1.00 1.00 ATOM 17 CA SER 23 87.103 29.619 2.337 1.00 1.00 ATOM 18 CA THR 24 83.793 29.805 4.192 1.00 1.00 ATOM 19 CA LYS 25 84.002 33.503 5.007 1.00 1.00 ATOM 20 CA THR 26 83.291 32.919 8.696 1.00 1.00 ATOM 21 CA SER 27 84.914 31.939 11.973 1.00 1.00 ATOM 22 CA MET 28 84.696 28.300 12.985 1.00 1.00 ATOM 23 CA ASN 29 84.406 27.506 16.683 1.00 1.00 ATOM 24 CA VAL 30 86.775 24.764 17.837 1.00 1.00 ATOM 25 CA ASN 31 86.852 23.010 21.205 1.00 1.00 ATOM 26 CA ILE 32 90.480 22.256 21.947 1.00 1.00 ATOM 27 CA TYR 33 92.443 20.415 24.612 1.00 1.00 ATOM 28 CA ASN 46 96.205 20.641 24.326 1.00 1.00 ATOM 29 CA LYS 47 98.224 17.622 25.342 1.00 1.00 ATOM 30 CA ARG 48 100.854 17.021 22.698 1.00 1.00 ATOM 31 CA ILE 49 102.018 17.854 19.136 1.00 1.00 ATOM 32 CA PRO 50 99.787 15.176 17.610 1.00 1.00 ATOM 33 CA THR 51 96.032 15.356 17.888 1.00 1.00 ATOM 34 CA VAL 52 92.854 13.362 17.556 1.00 1.00 ATOM 35 CA PHE 53 90.355 15.158 15.339 1.00 1.00 ATOM 36 CA TYR 54 86.947 14.231 16.732 1.00 1.00 ATOM 37 CA LEU 55 84.372 14.766 13.996 1.00 1.00 ATOM 38 CA SER 56 80.701 15.247 14.809 1.00 1.00 ATOM 39 CA GLY 57 77.555 13.560 13.557 1.00 1.00 ATOM 40 CA LEU 58 74.907 14.598 11.029 1.00 1.00 ATOM 41 CA THR 59 73.144 16.963 13.442 1.00 1.00 ATOM 42 CA CYS 60 76.318 18.762 14.526 1.00 1.00 ATOM 43 CA THR 61 75.403 21.851 16.572 1.00 1.00 ATOM 44 CA PRO 62 76.983 25.304 16.456 1.00 1.00 ATOM 47 CA ASP 63 80.672 19.197 19.333 1.00 1.00 ATOM 48 CA ASN 64 78.569 16.067 19.877 1.00 1.00 ATOM 49 CA ALA 65 81.525 14.259 21.425 1.00 1.00 ATOM 50 CA SER 66 81.717 16.766 24.284 1.00 1.00 ATOM 51 CA GLU 67 77.948 16.842 24.707 1.00 1.00 ATOM 52 CA LYS 68 77.599 13.064 24.939 1.00 1.00 ATOM 53 CA ALA 69 80.924 11.654 26.102 1.00 1.00 ATOM 54 CA PHE 70 83.893 12.270 28.420 1.00 1.00 ATOM 55 CA TRP 71 86.165 12.213 25.354 1.00 1.00 ATOM 56 CA GLN 72 88.297 15.113 26.574 1.00 1.00 ATOM 57 CA PHE 73 88.759 13.578 30.022 1.00 1.00 ATOM 58 CA GLN 74 89.481 10.175 28.504 1.00 1.00 ATOM 59 CA ALA 75 92.280 11.634 26.396 1.00 1.00 ATOM 60 CA ASP 76 93.543 14.045 29.046 1.00 1.00 ATOM 61 CA LYS 77 97.250 13.346 29.623 1.00 1.00 ATOM 62 CA TYR 78 97.176 10.791 26.800 1.00 1.00 ATOM 63 CA GLY 79 100.062 12.596 25.136 1.00 1.00 ATOM 64 CA PHE 80 97.651 13.662 22.409 1.00 1.00 ATOM 65 CA ALA 81 95.796 16.922 21.867 1.00 1.00 ATOM 66 CA ILE 82 92.077 16.681 21.169 1.00 1.00 ATOM 67 CA VAL 83 90.401 18.757 18.490 1.00 1.00 ATOM 68 CA PHE 84 86.636 19.063 18.322 1.00 1.00 ATOM 69 CA PRO 85 85.522 21.332 15.495 1.00 1.00 ATOM 70 CA ASP 86 82.089 22.824 16.131 1.00 1.00 ATOM 71 CA GLY 105 79.354 23.068 13.523 1.00 1.00 ATOM 72 CA GLN 106 78.960 21.731 10.014 1.00 1.00 ATOM 73 CA GLY 107 75.477 20.235 10.243 1.00 1.00 ATOM 74 CA ALA 108 74.981 17.716 7.403 1.00 1.00 ATOM 75 CA GLY 109 78.257 18.885 5.845 1.00 1.00 ATOM 76 CA PHE 110 79.914 15.459 5.708 1.00 1.00 ATOM 77 CA TYR 111 83.039 17.509 6.429 1.00 1.00 ATOM 78 CA LEU 112 83.578 17.898 2.719 1.00 1.00 ATOM 79 CA ASN 113 83.983 20.792 0.298 1.00 1.00 ATOM 80 CA ALA 114 80.629 21.482 -1.330 1.00 1.00 ATOM 81 CA THR 115 80.063 22.555 -4.924 1.00 1.00 ATOM 82 CA GLN 116 77.765 25.378 -3.827 1.00 1.00 ATOM 83 CA GLU 117 75.646 26.798 -0.990 1.00 1.00 ATOM 84 CA PRO 118 72.956 24.299 0.006 1.00 1.00 ATOM 85 CA TYR 119 70.142 25.082 -2.413 1.00 1.00 ATOM 86 CA ALA 120 66.917 25.076 -0.381 1.00 1.00 ATOM 87 CA GLN 121 67.626 26.081 3.221 1.00 1.00 ATOM 88 CA HIS 122 69.023 29.547 2.551 1.00 1.00 ATOM 93 CA TYR 123 80.614 24.563 3.040 1.00 1.00 ATOM 94 CA GLN 124 84.366 24.024 2.656 1.00 1.00 ATOM 95 CA MET 125 85.022 21.747 5.601 1.00 1.00 ATOM 96 CA TYR 126 87.687 19.658 3.928 1.00 1.00 ATOM 97 CA ASP 127 89.619 22.851 3.209 1.00 1.00 ATOM 98 CA TYR 128 89.044 23.924 6.817 1.00 1.00 ATOM 99 CA ILE 129 90.116 20.626 8.382 1.00 1.00 ATOM 100 CA HIS 130 93.120 20.001 6.136 1.00 1.00 ATOM 101 CA LYS 131 94.455 23.511 5.689 1.00 1.00 ATOM 102 CA GLU 132 92.918 26.409 7.606 1.00 1.00 ATOM 103 CA LEU 133 92.491 24.825 11.035 1.00 1.00 ATOM 104 CA PRO 134 95.767 22.883 11.133 1.00 1.00 ATOM 105 CA GLN 135 97.641 25.993 9.979 1.00 1.00 ATOM 106 CA THR 136 96.032 27.992 12.786 1.00 1.00 ATOM 107 CA LEU 137 96.733 25.365 15.461 1.00 1.00 ATOM 108 CA ASP 138 100.318 24.948 14.312 1.00 1.00 ATOM 109 CA SER 139 101.094 28.669 14.341 1.00 1.00 ATOM 110 CA HIS 140 99.313 29.371 17.620 1.00 1.00 ATOM 111 CA PHE 141 99.502 26.117 19.589 1.00 1.00 ATOM 112 CA ASN 142 102.330 24.142 18.057 1.00 1.00 ATOM 113 CA LYS 143 100.026 21.304 17.044 1.00 1.00 ATOM 114 CA ASN 144 101.617 19.406 14.164 1.00 1.00 ATOM 115 CA GLY 145 99.649 19.471 10.883 1.00 1.00 ATOM 116 CA ASP 153 100.915 15.935 10.270 1.00 1.00 ATOM 117 CA ASN 154 100.793 12.609 12.097 1.00 1.00 ATOM 118 CA VAL 155 97.282 12.955 13.479 1.00 1.00 ATOM 119 CA ALA 156 94.168 10.821 13.718 1.00 1.00 ATOM 120 CA ILE 157 90.738 11.563 12.272 1.00 1.00 ATOM 121 CA THR 158 87.854 9.950 14.132 1.00 1.00 ATOM 122 CA GLY 159 84.287 10.190 12.905 1.00 1.00 ATOM 123 CA HIS 160 80.971 8.539 13.616 1.00 1.00 ATOM 124 CA SER 161 77.908 7.995 11.470 1.00 1.00 ATOM 125 CA MET 162 77.987 10.984 9.078 1.00 1.00 ATOM 126 CA GLY 163 81.685 11.661 9.684 1.00 1.00 ATOM 127 CA GLY 164 82.686 8.003 9.758 1.00 1.00 ATOM 128 CA TYR 165 83.254 8.075 6.022 1.00 1.00 ATOM 129 CA GLY 166 84.655 11.600 6.310 1.00 1.00 ATOM 130 CA ALA 167 87.480 10.400 8.549 1.00 1.00 ATOM 131 CA ILE 168 88.484 7.669 6.097 1.00 1.00 ATOM 132 CA CYS 169 88.305 10.113 3.179 1.00 1.00 ATOM 133 CA GLY 170 90.474 12.631 5.008 1.00 1.00 ATOM 134 CA TYR 171 93.045 9.891 5.596 1.00 1.00 ATOM 135 CA LEU 172 92.679 8.611 2.036 1.00 1.00 ATOM 136 CA LYS 173 93.541 11.983 0.497 1.00 1.00 ATOM 137 CA GLY 174 95.689 13.421 3.273 1.00 1.00 ATOM 138 CA GLY 177 97.777 10.471 4.567 1.00 1.00 ATOM 139 CA LYS 178 100.482 12.771 5.939 1.00 1.00 ATOM 140 CA ARG 179 98.000 14.614 8.117 1.00 1.00 ATOM 141 CA TYR 180 96.076 11.464 9.011 1.00 1.00 ATOM 142 CA LYS 181 98.082 8.213 9.207 1.00 1.00 ATOM 143 CA SER 182 95.232 7.061 11.448 1.00 1.00 ATOM 144 CA CYS 183 91.482 7.123 10.817 1.00 1.00 ATOM 145 CA SER 184 88.530 5.617 12.647 1.00 1.00 ATOM 146 CA ALA 185 84.999 5.193 11.358 1.00 1.00 ATOM 147 CA PHE 186 82.276 4.424 13.882 1.00 1.00 ATOM 148 CA ALA 187 79.006 3.361 12.248 1.00 1.00 ATOM 149 CA PRO 188 80.000 5.225 9.105 1.00 1.00 ATOM 150 CA ILE 189 78.411 5.181 5.655 1.00 1.00 ATOM 151 CA VAL 190 81.312 3.648 3.749 1.00 1.00 ATOM 152 CA ASN 191 79.896 3.328 0.217 1.00 1.00 ATOM 153 CA PRO 192 77.989 6.642 -0.258 1.00 1.00 ATOM 154 CA SER 193 77.980 6.430 -4.060 1.00 1.00 ATOM 155 CA ASN 194 76.481 2.934 -4.226 1.00 1.00 ATOM 156 CA VAL 195 72.851 1.993 -4.873 1.00 1.00 ATOM 159 CA PRO 196 73.053 8.661 -2.373 1.00 1.00 ATOM 160 CA TRP 197 69.304 8.734 -1.758 1.00 1.00 ATOM 161 CA GLY 198 69.538 7.785 1.926 1.00 1.00 ATOM 162 CA GLN 199 72.258 10.367 2.472 1.00 1.00 ATOM 163 CA LYS 200 70.185 12.997 0.698 1.00 1.00 ATOM 164 CA ALA 201 67.232 12.076 2.899 1.00 1.00 ATOM 165 CA PHE 202 69.286 12.320 6.085 1.00 1.00 ATOM 166 CA LYS 203 70.791 15.657 5.075 1.00 1.00 ATOM 167 CA GLY 204 67.378 17.079 4.248 1.00 1.00 ATOM 168 CA TYR 205 66.049 15.831 7.582 1.00 1.00 ATOM 169 CA LEU 206 69.000 17.507 9.282 1.00 1.00 ATOM 170 CA GLY 207 68.714 21.224 8.594 1.00 1.00 ATOM 171 CA GLU 208 67.202 20.825 5.147 1.00 1.00 ATOM 172 CA GLU 209 70.575 20.493 3.424 1.00 1.00 ATOM 173 CA LYS 210 70.825 19.452 -0.215 1.00 1.00 ATOM 174 CA ALA 211 73.086 16.508 -1.082 1.00 1.00 ATOM 185 CA GLN 212 82.277 13.742 -6.434 1.00 1.00 ATOM 186 CA TRP 213 80.242 10.850 -5.027 1.00 1.00 ATOM 187 CA GLU 214 82.897 8.255 -5.872 1.00 1.00 ATOM 188 CA ALA 215 85.708 10.656 -4.942 1.00 1.00 ATOM 189 CA TYR 216 84.279 10.794 -1.432 1.00 1.00 ATOM 190 CA ASP 217 83.386 7.106 -1.232 1.00 1.00 ATOM 191 CA PRO 218 85.588 5.213 1.286 1.00 1.00 ATOM 192 CA CYS 219 84.858 1.892 -0.437 1.00 1.00 ATOM 193 CA LEU 220 85.974 3.300 -3.792 1.00 1.00 ATOM 194 CA LEU 221 88.999 4.903 -2.140 1.00 1.00 ATOM 195 CA ILE 222 90.171 1.727 -0.389 1.00 1.00 ATOM 196 CA LYS 223 93.153 1.492 -2.775 1.00 1.00 ATOM 197 CA ASN 224 94.368 4.781 -1.270 1.00 1.00 ATOM 198 CA ILE 225 93.989 3.548 2.309 1.00 1.00 ATOM 199 CA ARG 226 95.913 0.405 1.394 1.00 1.00 ATOM 200 CA HIS 227 98.646 2.227 -0.520 1.00 1.00 ATOM 201 CA VAL 228 99.230 4.706 2.308 1.00 1.00 ATOM 202 CA GLY 229 99.082 1.887 4.866 1.00 1.00 ATOM 203 CA ASP 231 96.599 3.977 6.815 1.00 1.00 ATOM 204 CA ARG 232 95.837 2.545 10.239 1.00 1.00 ATOM 205 CA ILE 233 92.056 2.237 10.165 1.00 1.00 ATOM 206 CA LEU 234 89.706 1.450 13.014 1.00 1.00 ATOM 207 CA ILE 235 86.286 0.457 11.738 1.00 1.00 ATOM 208 CA HIS 236 83.374 -0.114 14.066 1.00 1.00 ATOM 209 CA VAL 237 79.731 -0.765 13.376 1.00 1.00 ATOM 210 CA GLY 238 76.965 -1.674 15.768 1.00 1.00 ATOM 211 CA ASP 239 73.547 -3.057 14.889 1.00 1.00 ATOM 212 CA SER 240 69.939 -2.655 15.930 1.00 1.00 ATOM 214 CA ASP 241 66.247 2.410 17.094 1.00 1.00 ATOM 215 CA PRO 242 69.523 4.154 17.940 1.00 1.00 ATOM 216 CA PHE 243 71.306 7.491 17.619 1.00 1.00 ATOM 217 CA LEU 244 71.601 6.584 13.945 1.00 1.00 ATOM 218 CA GLU 245 67.821 6.507 13.574 1.00 1.00 ATOM 219 CA GLU 246 65.680 3.375 13.770 1.00 1.00 ATOM 220 CA HIS 247 61.894 3.693 14.050 1.00 1.00 ATOM 221 CA LEU 248 60.158 3.333 10.659 1.00 1.00 ATOM 222 CA LYS 249 60.994 0.993 7.791 1.00 1.00 ATOM 223 CA PRO 250 63.213 3.530 5.964 1.00 1.00 ATOM 224 CA GLU 251 65.391 4.169 9.023 1.00 1.00 ATOM 225 CA LEU 252 65.549 0.423 9.682 1.00 1.00 ATOM 226 CA LEU 253 66.693 -0.142 6.111 1.00 1.00 ATOM 227 CA LEU 254 69.401 2.491 6.568 1.00 1.00 ATOM 228 CA GLU 255 70.678 0.877 9.766 1.00 1.00 ATOM 229 CA ALA 256 70.717 -2.539 8.135 1.00 1.00 ATOM 230 CA VAL 257 72.465 -1.203 5.054 1.00 1.00 ATOM 231 CA LYS 258 75.001 0.552 7.284 1.00 1.00 ATOM 232 CA ALA 259 76.116 -2.722 8.854 1.00 1.00 ATOM 233 CA THR 260 76.126 -4.674 5.582 1.00 1.00 ATOM 245 CA SER 261 92.380 -5.100 -1.980 1.00 1.00 ATOM 246 CA TRP 262 95.411 -5.917 0.157 1.00 1.00 ATOM 247 CA GLN 263 94.570 -3.976 3.307 1.00 1.00 ATOM 248 CA ASP 264 96.417 -5.223 6.386 1.00 1.00 ATOM 249 CA TYR 265 96.382 -2.362 8.876 1.00 1.00 ATOM 250 CA VAL 266 92.815 -2.282 10.067 1.00 1.00 ATOM 251 CA GLU 267 90.913 -3.141 13.209 1.00 1.00 ATOM 252 CA ILE 268 87.373 -4.267 12.463 1.00 1.00 ATOM 253 CA LYS 269 84.981 -4.255 15.394 1.00 1.00 ATOM 254 CA LYS 270 81.561 -5.751 14.730 1.00 1.00 ATOM 255 CA VAL 271 80.428 -6.872 18.200 1.00 1.00 ATOM 256 CA HIS 272 76.906 -8.349 17.915 1.00 1.00 ATOM 258 CA GLY 273 77.392 -3.125 19.766 1.00 1.00 ATOM 259 CA PHE 274 74.942 -0.316 19.056 1.00 1.00 ATOM 260 CA ASP 275 74.928 2.901 17.034 1.00 1.00 ATOM 261 CA HIS 276 74.971 5.058 20.164 1.00 1.00 ATOM 262 CA SER 277 77.261 7.539 21.890 1.00 1.00 ATOM 263 CA TYR 278 77.942 5.131 24.750 1.00 1.00 ATOM 264 CA TYR 279 79.344 2.546 22.345 1.00 1.00 ATOM 265 CA PHE 280 81.037 5.095 20.097 1.00 1.00 ATOM 266 CA PRO 286 82.708 6.456 23.230 1.00 1.00 ATOM 267 CA GLU 287 83.657 2.916 24.236 1.00 1.00 ATOM 268 CA HIS 288 85.327 2.603 20.831 1.00 1.00 ATOM 269 CA ALA 289 87.083 5.958 21.249 1.00 1.00 ATOM 270 CA GLU 290 88.529 4.748 24.546 1.00 1.00 ATOM 271 CA PHE 291 89.388 1.319 23.127 1.00 1.00 ATOM 272 CA HIS 292 91.299 2.884 20.244 1.00 1.00 ATOM 273 CA ALA 293 93.297 5.233 22.481 1.00 1.00 ATOM 274 CA ARG 294 96.155 2.782 22.997 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:37:07 2002 Date: Mon, 26 Aug 2002 12:37:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 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 Mon Aug 26 12:08:50 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_235276_34762 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS189_2 Current information on models submitted in prediction T0195TS189 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_2 PIN_235276_34762 5035-2079-5263 08/26/02 12:08:50 casp5@bialko.llnl.gov T0195TS189_1 PIN_213074_34754 5035-2079-5263 08/26/02 12:06:16 casp5@bialko.llnl.gov T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_1 PIN_213074_34754 5035-2079-5263 08/26/02 12:06:16 casp5@bialko.llnl.gov T0195TS189_2 PIN_235276_34762 5035-2079-5263 08/26/02 12:08:50 casp5@bialko.llnl.gov T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JJF_A # Loading PARENT structure: 1jjf (chain: A) # Number of residues in PARENT structure: 255 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 44 # IMPORTANT NOTE! Not complete main chain atoms for residue R 45 # IMPORTANT NOTE! Not complete main chain atoms for residue N 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 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 Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue V 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue V 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 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 K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 223 # Total number of atoms in model: 223 # Number of atoms with 1.0 occupancy: 223 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 223 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JJF_A ATOM 44 CA PHE 7 33.496 47.429 35.382 1.00 1.00 ATOM 45 CA SER 8 32.702 45.097 32.511 1.00 1.00 ATOM 46 CA VAL 9 31.967 42.072 34.695 1.00 1.00 ATOM 47 CA CYS 10 28.537 40.506 34.000 1.00 1.00 ATOM 48 CA GLY 11 26.370 40.617 37.128 1.00 1.00 ATOM 49 CA GLY 12 24.074 37.864 38.314 1.00 1.00 ATOM 50 CA ARG 13 20.653 38.618 39.765 1.00 1.00 ATOM 51 CA LEU 14 19.658 38.165 43.396 1.00 1.00 ATOM 52 CA ILE 15 15.960 37.379 43.687 1.00 1.00 ATOM 53 CA LYS 16 13.695 37.124 46.717 1.00 1.00 ATOM 54 CA LEU 17 11.560 33.994 47.008 1.00 1.00 ATOM 55 CA SER 18 9.130 32.462 49.471 1.00 1.00 ATOM 56 CA HIS 19 8.160 28.827 49.961 1.00 1.00 ATOM 57 CA ASN 20 5.730 26.902 52.123 1.00 1.00 ATOM 58 CA SER 21 7.499 24.937 54.849 1.00 1.00 ATOM 59 CA ASN 22 5.980 21.841 56.430 1.00 1.00 ATOM 60 CA SER 23 8.649 22.205 59.120 1.00 1.00 ATOM 61 CA THR 24 7.225 25.528 60.320 1.00 1.00 ATOM 62 CA LYS 25 3.775 25.391 58.711 1.00 1.00 ATOM 63 CA THR 26 4.337 28.896 57.420 1.00 1.00 ATOM 64 CA SER 27 5.636 30.719 54.367 1.00 1.00 ATOM 65 CA MET 28 9.387 31.257 54.644 1.00 1.00 ATOM 66 CA ASN 29 11.691 33.693 52.792 1.00 1.00 ATOM 67 CA VAL 30 15.003 33.068 51.025 1.00 1.00 ATOM 68 CA ASN 31 17.180 34.729 48.415 1.00 1.00 ATOM 69 CA ILE 32 18.515 33.129 45.265 1.00 1.00 ATOM 70 CA TYR 33 21.545 34.267 43.307 1.00 1.00 ATOM 71 CA LEU 34 21.186 33.400 39.623 1.00 1.00 ATOM 72 CA PRO 35 24.519 33.617 37.783 1.00 1.00 ATOM 73 CA LYS 36 24.863 35.973 34.822 1.00 1.00 ATOM 74 CA HIS 37 23.377 34.323 31.755 1.00 1.00 ATOM 75 CA TYR 38 21.120 32.046 33.800 1.00 1.00 ATOM 76 CA PRO 44 18.979 30.055 31.370 1.00 1.00 ATOM 77 CA ARG 45 16.436 27.256 31.793 1.00 1.00 ATOM 78 CA ASN 46 18.105 25.346 28.961 1.00 1.00 ATOM 79 CA LYS 47 21.010 24.423 31.222 1.00 1.00 ATOM 80 CA ARG 48 21.326 22.790 34.636 1.00 1.00 ATOM 81 CA ILE 49 23.265 24.356 37.504 1.00 1.00 ATOM 82 CA PRO 50 24.798 23.127 40.734 1.00 1.00 ATOM 83 CA THR 51 23.552 24.725 43.952 1.00 1.00 ATOM 84 CA VAL 52 25.271 26.034 47.081 1.00 1.00 ATOM 85 CA PHE 53 23.140 26.532 50.187 1.00 1.00 ATOM 86 CA TYR 54 24.860 29.328 52.119 1.00 1.00 ATOM 87 CA LEU 55 23.790 29.808 55.749 1.00 1.00 ATOM 88 CA SER 56 23.950 32.992 57.861 1.00 1.00 ATOM 89 CA GLY 57 24.490 33.454 61.601 1.00 1.00 ATOM 90 CA LEU 58 22.353 33.749 64.738 1.00 1.00 ATOM 91 CA THR 59 19.733 36.480 64.606 1.00 1.00 ATOM 92 CA CYS 60 20.795 37.068 61.020 1.00 1.00 ATOM 93 CA THR 61 18.823 36.762 57.783 1.00 1.00 ATOM 94 CA PRO 62 19.075 35.581 54.182 1.00 1.00 ATOM 95 CA ASP 63 20.328 39.078 53.330 1.00 1.00 ATOM 96 CA ASN 64 23.459 38.845 55.477 1.00 1.00 ATOM 97 CA ALA 65 25.446 37.013 52.812 1.00 1.00 ATOM 98 CA SER 66 24.592 39.682 50.239 1.00 1.00 ATOM 99 CA GLU 67 24.182 43.411 50.939 1.00 1.00 ATOM 100 CA LYS 68 24.356 42.482 54.620 1.00 1.00 ATOM 101 CA ALA 69 28.117 42.186 54.338 1.00 1.00 ATOM 102 CA PHE 70 28.773 38.911 52.553 1.00 1.00 ATOM 103 CA TRP 71 28.553 40.364 49.044 1.00 1.00 ATOM 104 CA GLN 72 28.267 36.761 47.836 1.00 1.00 ATOM 105 CA PHE 73 26.902 37.792 44.439 1.00 1.00 ATOM 106 CA GLN 74 29.830 40.129 43.769 1.00 1.00 ATOM 107 CA ALA 75 32.383 37.558 44.892 1.00 1.00 ATOM 108 CA ASP 76 30.743 34.928 42.668 1.00 1.00 ATOM 109 CA LYS 77 30.396 37.341 39.736 1.00 1.00 ATOM 110 CA TYR 78 34.095 38.170 39.845 1.00 1.00 ATOM 111 CA GLY 79 35.245 34.548 40.221 1.00 1.00 ATOM 120 CA PHE 80 26.245 28.108 39.924 1.00 1.00 ATOM 121 CA ALA 81 23.164 29.059 41.925 1.00 1.00 ATOM 122 CA ILE 82 23.611 30.230 45.517 1.00 1.00 ATOM 123 CA VAL 83 20.659 30.005 47.887 1.00 1.00 ATOM 124 CA PHE 84 20.578 31.844 51.208 1.00 1.00 ATOM 125 CA PRO 85 17.805 30.596 53.523 1.00 1.00 ATOM 126 CA ASP 86 16.623 31.947 56.854 1.00 1.00 ATOM 127 CA THR 87 18.213 29.449 59.252 1.00 1.00 ATOM 128 CA SER 88 15.857 29.878 62.205 1.00 1.00 ATOM 129 CA PRO 89 12.950 27.587 61.344 1.00 1.00 ATOM 130 CA ARG 90 10.806 28.720 64.268 1.00 1.00 ATOM 131 CA GLY 91 7.206 27.583 64.659 1.00 1.00 ATOM 132 CA ASP 92 4.432 26.089 66.864 1.00 1.00 ATOM 133 CA GLU 93 5.861 23.918 69.623 1.00 1.00 ATOM 134 CA VAL 94 9.397 24.384 68.316 1.00 1.00 ATOM 135 CA ALA 95 12.097 23.449 70.798 1.00 1.00 ATOM 136 CA ASN 96 15.018 24.611 68.643 1.00 1.00 ATOM 137 CA ASP 97 14.415 26.541 65.430 1.00 1.00 ATOM 138 CA HIS 122 18.001 26.144 64.274 1.00 1.00 ATOM 139 CA TYR 123 17.731 22.385 64.731 1.00 1.00 ATOM 140 CA GLN 124 14.313 22.351 63.036 1.00 1.00 ATOM 141 CA MET 125 15.995 23.983 60.043 1.00 1.00 ATOM 142 CA TYR 126 17.424 20.610 59.033 1.00 1.00 ATOM 143 CA ASP 127 13.927 19.391 58.170 1.00 1.00 ATOM 144 CA TYR 128 13.017 22.718 56.556 1.00 1.00 ATOM 145 CA ILE 129 16.018 22.639 54.246 1.00 1.00 ATOM 146 CA HIS 130 15.758 18.966 53.293 1.00 1.00 ATOM 147 CA LYS 131 11.984 18.569 52.987 1.00 1.00 ATOM 148 CA GLU 132 10.847 22.011 51.869 1.00 1.00 ATOM 149 CA LEU 133 13.505 24.385 50.562 1.00 1.00 ATOM 150 CA PRO 134 15.572 22.001 48.447 1.00 1.00 ATOM 151 CA GLN 135 12.429 20.522 46.841 1.00 1.00 ATOM 152 CA THR 136 11.205 24.062 46.103 1.00 1.00 ATOM 153 CA LEU 137 14.488 25.093 44.497 1.00 1.00 ATOM 154 CA ASP 138 14.656 21.905 42.442 1.00 1.00 ATOM 155 CA SER 139 11.126 22.344 41.116 1.00 1.00 ATOM 156 CA HIS 140 11.497 26.059 40.334 1.00 1.00 ATOM 157 CA PHE 141 15.030 26.361 38.941 1.00 1.00 ATOM 158 CA ASN 142 17.059 24.371 36.408 1.00 1.00 ATOM 159 CA LYS 143 19.403 22.447 38.692 1.00 1.00 ATOM 160 CA ASN 144 21.080 19.082 39.138 1.00 1.00 ATOM 161 CA GLY 145 19.565 17.055 41.975 1.00 1.00 ATOM 162 CA ASP 146 22.454 14.771 42.952 1.00 1.00 ATOM 163 CA VAL 147 24.899 15.086 45.855 1.00 1.00 ATOM 164 CA ASP 153 27.863 15.678 43.543 1.00 1.00 ATOM 165 CA ASN 154 26.212 18.969 42.544 1.00 1.00 ATOM 166 CA VAL 155 25.056 20.160 45.970 1.00 1.00 ATOM 167 CA ALA 156 27.151 22.043 48.523 1.00 1.00 ATOM 168 CA ILE 157 26.457 23.589 51.913 1.00 1.00 ATOM 169 CA THR 158 28.424 26.257 53.780 1.00 1.00 ATOM 170 CA GLY 159 27.872 28.966 56.359 1.00 1.00 ATOM 171 CA HIS 160 29.163 31.276 59.065 1.00 1.00 ATOM 172 CA SER 161 28.895 30.945 62.860 1.00 1.00 ATOM 173 CA MET 162 25.556 29.299 63.694 1.00 1.00 ATOM 174 CA GLY 163 25.308 28.705 59.951 1.00 1.00 ATOM 175 CA GLY 164 28.702 27.034 60.021 1.00 1.00 ATOM 176 CA TYR 165 27.503 24.823 62.838 1.00 1.00 ATOM 177 CA GLY 166 24.483 23.848 60.746 1.00 1.00 ATOM 178 CA ALA 167 26.755 23.127 57.765 1.00 1.00 ATOM 179 CA ILE 168 28.725 20.645 59.889 1.00 1.00 ATOM 180 CA CYS 169 25.553 19.141 61.361 1.00 1.00 ATOM 181 CA GLY 170 23.433 18.925 58.221 1.00 1.00 ATOM 182 CA TYR 171 26.246 18.109 55.827 1.00 1.00 ATOM 183 CA LEU 172 28.076 15.407 57.764 1.00 1.00 ATOM 184 CA LYS 173 24.891 13.603 58.808 1.00 1.00 ATOM 185 CA GLY 174 23.509 13.764 55.263 1.00 1.00 ATOM 186 CA GLY 177 26.480 12.835 53.103 1.00 1.00 ATOM 187 CA LYS 178 23.948 11.176 50.815 1.00 1.00 ATOM 188 CA ARG 179 22.850 14.724 49.925 1.00 1.00 ATOM 189 CA TYR 180 26.008 16.878 50.171 1.00 1.00 ATOM 190 CA LYS 181 29.504 16.267 48.768 1.00 1.00 ATOM 191 CA SER 182 31.031 19.646 49.711 1.00 1.00 ATOM 192 CA CYS 183 30.837 21.242 53.170 1.00 1.00 ATOM 193 CA SER 184 32.309 24.579 54.252 1.00 1.00 ATOM 194 CA ALA 185 31.919 25.609 57.921 1.00 1.00 ATOM 195 CA PHE 186 33.363 29.051 58.692 1.00 1.00 ATOM 196 CA ALA 187 33.759 30.076 62.353 1.00 1.00 ATOM 197 CA PRO 188 31.365 27.286 63.389 1.00 1.00 ATOM 198 CA ILE 189 29.387 28.073 66.555 1.00 1.00 ATOM 199 CA VAL 190 28.629 25.915 69.663 1.00 1.00 ATOM 200 CA ASN 191 25.575 24.349 67.995 1.00 1.00 ATOM 201 CA PRO 192 28.073 22.116 66.182 1.00 1.00 ATOM 202 CA GLN 199 27.299 18.489 67.151 1.00 1.00 ATOM 203 CA LYS 200 29.806 16.459 69.215 1.00 1.00 ATOM 204 CA ALA 201 32.358 14.650 67.025 1.00 1.00 ATOM 205 CA PHE 202 30.702 11.277 67.659 1.00 1.00 ATOM 206 CA LYS 203 27.454 12.572 66.194 1.00 1.00 ATOM 207 CA GLY 204 29.178 14.172 63.193 1.00 1.00 ATOM 208 CA TYR 205 31.087 10.949 62.409 1.00 1.00 ATOM 209 CA LEU 206 29.048 8.046 63.902 1.00 1.00 ATOM 210 CA GLY 207 30.879 5.569 61.649 1.00 1.00 ATOM 211 CA GLU 208 34.347 6.680 62.677 1.00 1.00 ATOM 212 CA GLU 209 34.396 8.709 59.485 1.00 1.00 ATOM 213 CA LYS 210 33.803 5.912 56.965 1.00 1.00 ATOM 214 CA ALA 211 31.266 7.799 54.842 1.00 1.00 ATOM 215 CA GLN 212 33.267 11.019 55.135 1.00 1.00 ATOM 216 CA HIS 227 36.494 9.472 53.797 1.00 1.00 ATOM 217 CA VAL 228 34.773 7.818 50.852 1.00 1.00 ATOM 218 CA GLY 229 31.960 10.203 49.901 1.00 1.00 ATOM 219 CA ASP 230 32.929 13.709 51.022 1.00 1.00 ATOM 220 CA ASP 231 34.710 15.536 48.207 1.00 1.00 ATOM 221 CA ARG 232 35.544 18.612 50.274 1.00 1.00 ATOM 222 CA ILE 233 35.414 19.472 53.977 1.00 1.00 ATOM 223 CA LEU 234 36.622 23.070 54.328 1.00 1.00 ATOM 224 CA ILE 235 36.942 24.384 57.894 1.00 1.00 ATOM 225 CA HIS 236 38.042 28.012 58.353 1.00 1.00 ATOM 226 CA VAL 237 38.182 30.521 61.223 1.00 1.00 ATOM 227 CA GLY 238 39.941 33.668 62.440 1.00 1.00 ATOM 228 CA ASP 239 42.504 33.127 65.212 1.00 1.00 ATOM 229 CA SER 240 40.954 35.914 67.288 1.00 1.00 ATOM 230 CA ASP 241 37.493 34.365 67.148 1.00 1.00 ATOM 231 CA PRO 242 36.256 33.241 70.563 1.00 1.00 ATOM 232 CA PHE 243 34.520 30.276 68.920 1.00 1.00 ATOM 233 CA LEU 244 37.661 28.932 67.253 1.00 1.00 ATOM 234 CA GLU 245 37.573 25.928 69.596 1.00 1.00 ATOM 235 CA GLU 246 34.654 24.197 67.878 1.00 1.00 ATOM 236 CA HIS 247 36.061 23.947 64.377 1.00 1.00 ATOM 237 CA LEU 248 39.326 23.164 66.115 1.00 1.00 ATOM 238 CA LEU 252 37.973 20.067 67.843 1.00 1.00 ATOM 239 CA LEU 253 36.394 18.788 64.637 1.00 1.00 ATOM 240 CA LEU 254 39.768 19.288 62.917 1.00 1.00 ATOM 241 CA GLU 255 41.551 17.398 65.690 1.00 1.00 ATOM 242 CA ALA 256 39.094 14.508 65.356 1.00 1.00 ATOM 243 CA VAL 257 39.615 14.389 61.588 1.00 1.00 ATOM 244 CA LYS 258 43.377 14.251 62.034 1.00 1.00 ATOM 245 CA ALA 259 43.209 11.481 64.638 1.00 1.00 ATOM 246 CA THR 260 40.752 9.507 62.507 1.00 1.00 ATOM 247 CA GLN 263 42.441 10.052 59.137 1.00 1.00 ATOM 248 CA ASP 264 39.655 12.107 57.587 1.00 1.00 ATOM 249 CA TYR 265 40.858 14.274 54.709 1.00 1.00 ATOM 250 CA VAL 266 39.935 17.948 54.990 1.00 1.00 ATOM 251 CA GLU 267 41.254 21.483 54.760 1.00 1.00 ATOM 252 CA ILE 268 41.693 23.488 57.968 1.00 1.00 ATOM 253 CA LYS 269 42.538 27.140 57.396 1.00 1.00 ATOM 254 CA LYS 270 43.184 29.785 60.023 1.00 1.00 ATOM 256 CA VAL 271 45.818 35.005 61.418 1.00 1.00 ATOM 257 CA HIS 272 44.339 37.746 63.573 1.00 1.00 ATOM 258 CA GLY 273 40.941 37.284 61.963 1.00 1.00 ATOM 259 CA PHE 274 37.838 38.055 63.988 1.00 1.00 ATOM 260 CA ASP 275 34.155 37.145 64.060 1.00 1.00 ATOM 261 CA HIS 276 33.304 39.312 61.051 1.00 1.00 ATOM 262 CA SER 277 32.988 39.386 57.273 1.00 1.00 ATOM 263 CA TYR 278 36.713 40.029 56.867 1.00 1.00 ATOM 264 CA TYR 279 36.929 36.301 57.614 1.00 1.00 ATOM 265 CA PHE 280 33.642 35.098 56.160 1.00 1.00 ATOM 266 CA SER 282 34.175 36.730 52.753 1.00 1.00 ATOM 267 CA THR 283 37.644 35.213 52.235 1.00 1.00 ATOM 268 CA PHE 284 36.154 31.929 53.420 1.00 1.00 ATOM 269 CA VAL 285 33.481 31.997 50.720 1.00 1.00 ATOM 270 CA PRO 286 35.960 33.133 48.053 1.00 1.00 ATOM 271 CA GLU 287 38.160 30.133 48.830 1.00 1.00 ATOM 272 CA HIS 288 35.333 27.623 49.306 1.00 1.00 ATOM 273 CA ALA 289 33.781 28.445 45.933 1.00 1.00 ATOM 274 CA GLU 290 37.076 27.753 44.164 1.00 1.00 ATOM 275 CA PHE 291 37.931 24.636 46.148 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:32:08 2002 Date: Mon, 26 Aug 2002 12:32:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 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 Mon Aug 26 12:03:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_184327_34746 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS189_3 Current information on models submitted in prediction T0195TS189 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS189_3 PIN_184327_34746 5035-2079-5263 08/26/02 12:03:40 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 T0195 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1GKL_A # Loading PARENT structure: 1gkl (chain: A) # Number of residues in PARENT structure: 283 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 44 # IMPORTANT NOTE! Not complete main chain atoms for residue R 45 # IMPORTANT NOTE! Not complete main chain atoms for residue N 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 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 Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue V 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue V 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue D 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue C 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 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 K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 224 # Total number of atoms in model: 224 # Number of atoms with 1.0 occupancy: 224 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 224 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1GKL_A ATOM 825 CA GLY 12 31.860 109.830 -12.289 1.00 1.00 ATOM 826 CA ARG 13 28.188 109.172 -11.587 1.00 1.00 ATOM 827 CA LEU 14 27.002 106.041 -9.904 1.00 1.00 ATOM 828 CA ILE 15 24.023 104.370 -11.526 1.00 1.00 ATOM 829 CA LYS 16 20.674 104.636 -9.704 1.00 1.00 ATOM 830 CA LEU 17 18.346 101.734 -10.379 1.00 1.00 ATOM 831 CA SER 18 14.619 101.887 -9.571 1.00 1.00 ATOM 832 CA HIS 19 13.502 98.472 -8.344 1.00 1.00 ATOM 833 CA ASN 20 10.136 96.943 -7.611 1.00 1.00 ATOM 834 CA SER 21 9.674 93.888 -5.405 1.00 1.00 ATOM 835 CA ASN 22 6.880 92.139 -3.508 1.00 1.00 ATOM 836 CA SER 23 7.119 91.404 0.194 1.00 1.00 ATOM 837 CA THR 24 5.067 91.211 3.379 1.00 1.00 ATOM 838 CA LYS 25 3.765 94.747 2.748 1.00 1.00 ATOM 839 CA THR 26 2.869 94.154 -0.871 1.00 1.00 ATOM 840 CA SER 27 4.479 95.375 -4.052 1.00 1.00 ATOM 841 CA MET 28 6.817 98.273 -3.297 1.00 1.00 ATOM 842 CA ASN 29 9.774 100.056 -4.824 1.00 1.00 ATOM 843 CA VAL 30 13.201 101.289 -3.777 1.00 1.00 ATOM 844 CA ASN 31 16.247 102.844 -5.425 1.00 1.00 ATOM 845 CA ILE 32 19.705 101.331 -5.507 1.00 1.00 ATOM 846 CA TYR 33 22.768 103.567 -5.931 1.00 1.00 ATOM 847 CA LEU 34 25.694 101.633 -7.394 1.00 1.00 ATOM 848 CA PRO 35 29.096 103.294 -7.188 1.00 1.00 ATOM 849 CA LYS 36 30.876 104.475 -10.307 1.00 1.00 ATOM 850 CA HIS 37 32.885 101.537 -11.605 1.00 1.00 ATOM 851 CA TYR 38 30.614 99.029 -9.885 1.00 1.00 ATOM 852 CA PRO 44 32.014 95.567 -10.549 1.00 1.00 ATOM 853 CA ARG 45 29.765 92.614 -9.564 1.00 1.00 ATOM 854 CA ASN 46 32.783 90.421 -9.019 1.00 1.00 ATOM 855 CA LYS 47 34.003 92.698 -6.219 1.00 1.00 ATOM 856 CA ARG 48 32.250 92.978 -2.825 1.00 1.00 ATOM 857 CA ILE 49 30.758 96.289 -1.621 1.00 1.00 ATOM 858 CA PRO 50 29.655 97.686 1.700 1.00 1.00 ATOM 859 CA THR 51 25.918 98.376 1.714 1.00 1.00 ATOM 860 CA VAL 52 24.074 101.204 3.486 1.00 1.00 ATOM 861 CA PHE 53 20.284 101.342 3.667 1.00 1.00 ATOM 862 CA TYR 54 18.906 104.858 4.199 1.00 1.00 ATOM 863 CA LEU 55 15.334 105.745 5.124 1.00 1.00 ATOM 864 CA SER 56 13.394 108.899 4.269 1.00 1.00 ATOM 865 CA GLY 57 11.265 110.922 6.687 1.00 1.00 ATOM 866 CA LEU 58 7.565 111.429 7.184 1.00 1.00 ATOM 867 CA THR 59 5.623 112.369 4.085 1.00 1.00 ATOM 868 CA CYS 60 8.517 111.310 1.861 1.00 1.00 ATOM 869 CA THR 61 9.145 108.265 -0.260 1.00 1.00 ATOM 870 CA PRO 62 11.816 106.020 -1.821 1.00 1.00 ATOM 871 CA ASP 63 12.612 108.690 -4.424 1.00 1.00 ATOM 872 CA ASN 64 13.136 111.620 -2.096 1.00 1.00 ATOM 873 CA ALA 65 16.803 111.192 -1.199 1.00 1.00 ATOM 874 CA SER 66 17.932 111.058 -4.851 1.00 1.00 ATOM 875 CA GLU 67 15.439 113.740 -5.930 1.00 1.00 ATOM 876 CA LYS 68 16.270 117.357 -6.694 1.00 1.00 ATOM 881 CA ALA 69 23.915 110.983 -5.104 1.00 1.00 ATOM 882 CA PHE 70 25.963 114.041 -6.083 1.00 1.00 ATOM 883 CA TRP 71 27.625 114.061 -2.657 1.00 1.00 ATOM 884 CA GLN 72 28.207 110.293 -2.841 1.00 1.00 ATOM 885 CA PHE 73 29.618 110.510 -6.336 1.00 1.00 ATOM 886 CA GLN 74 32.006 113.338 -5.514 1.00 1.00 ATOM 887 CA ALA 75 33.132 111.802 -2.221 1.00 1.00 ATOM 888 CA ASP 76 33.855 108.430 -3.824 1.00 1.00 ATOM 889 CA LYS 77 35.672 110.037 -6.778 1.00 1.00 ATOM 890 CA TYR 78 37.852 112.074 -4.421 1.00 1.00 ATOM 891 CA GLY 79 38.717 109.084 -2.219 1.00 1.00 ATOM 896 CA PHE 80 29.551 101.310 -1.565 1.00 1.00 ATOM 897 CA ALA 81 25.975 100.518 -2.492 1.00 1.00 ATOM 898 CA ILE 82 23.353 102.872 -1.039 1.00 1.00 ATOM 899 CA VAL 83 19.726 101.783 -0.940 1.00 1.00 ATOM 900 CA PHE 84 16.751 104.088 -0.381 1.00 1.00 ATOM 901 CA PRO 85 13.655 102.008 0.479 1.00 1.00 ATOM 902 CA ASP 86 10.345 103.211 1.907 1.00 1.00 ATOM 903 CA THR 87 8.237 102.621 4.988 1.00 1.00 ATOM 904 CA SER 88 5.123 103.458 2.941 1.00 1.00 ATOM 905 CA GLY 91 2.785 100.825 1.526 1.00 1.00 ATOM 906 CA ASP 92 0.556 98.027 2.707 1.00 1.00 ATOM 907 CA GLU 93 0.830 97.499 6.473 1.00 1.00 ATOM 908 CA VAL 94 4.246 99.145 6.616 1.00 1.00 ATOM 909 CA GLN 121 5.137 101.886 9.065 1.00 1.00 ATOM 910 CA HIS 122 8.320 103.627 10.154 1.00 1.00 ATOM 911 CA TYR 123 8.149 101.463 13.323 1.00 1.00 ATOM 912 CA GLN 124 7.595 98.069 11.733 1.00 1.00 ATOM 913 CA MET 125 9.661 98.403 8.541 1.00 1.00 ATOM 914 CA TYR 126 12.469 96.288 10.027 1.00 1.00 ATOM 915 CA ASP 127 10.489 92.907 7.956 1.00 1.00 ATOM 916 CA TYR 128 10.100 93.738 5.723 1.00 1.00 ATOM 917 CA ILE 129 13.755 94.836 5.729 1.00 1.00 ATOM 918 CA HIS 130 14.842 91.471 7.119 1.00 1.00 ATOM 919 CA LYS 131 12.587 89.203 5.079 1.00 1.00 ATOM 920 CA GLU 132 12.234 90.973 1.745 1.00 1.00 ATOM 921 CA LEU 133 14.501 93.981 1.204 1.00 1.00 ATOM 922 CA PRO 134 17.876 92.449 2.081 1.00 1.00 ATOM 923 CA GLN 135 17.266 89.224 0.098 1.00 1.00 ATOM 924 CA THR 136 15.943 91.129 -2.906 1.00 1.00 ATOM 925 CA LEU 137 18.747 93.671 -3.104 1.00 1.00 ATOM 926 CA ASP 138 21.635 91.504 -2.010 1.00 1.00 ATOM 927 CA SER 139 20.757 88.589 -4.277 1.00 1.00 ATOM 928 CA HIS 140 20.905 91.040 -7.257 1.00 1.00 ATOM 929 CA PHE 141 23.935 93.119 -6.280 1.00 1.00 ATOM 930 CA ASN 142 27.340 92.267 -4.889 1.00 1.00 ATOM 931 CA LYS 143 27.711 92.828 -1.184 1.00 1.00 ATOM 932 CA ASN 144 29.667 90.771 1.329 1.00 1.00 ATOM 933 CA GLY 145 26.683 88.395 1.579 1.00 1.00 ATOM 934 CA ASP 146 27.765 85.170 -0.132 1.00 1.00 ATOM 935 CA VAL 147 24.119 84.126 -0.021 1.00 1.00 ATOM 936 CA LYS 148 20.949 85.745 1.275 1.00 1.00 ATOM 937 CA LEU 149 19.828 83.034 3.652 1.00 1.00 ATOM 938 CA ASP 150 19.637 84.289 7.256 1.00 1.00 ATOM 939 CA PHE 151 23.023 82.690 7.791 1.00 1.00 ATOM 940 CA LEU 152 24.561 84.462 4.776 1.00 1.00 ATOM 946 CA ASP 153 29.979 93.908 9.586 1.00 1.00 ATOM 947 CA ASN 154 29.574 95.289 6.063 1.00 1.00 ATOM 948 CA VAL 155 25.925 96.350 6.361 1.00 1.00 ATOM 949 CA ALA 156 24.560 99.621 7.743 1.00 1.00 ATOM 950 CA ILE 157 21.231 101.332 8.271 1.00 1.00 ATOM 951 CA THR 158 20.397 105.001 8.738 1.00 1.00 ATOM 952 CA GLY 159 17.553 107.406 8.224 1.00 1.00 ATOM 953 CA HIS 160 16.110 110.867 8.877 1.00 1.00 ATOM 954 CA SER 161 13.362 111.894 11.294 1.00 1.00 ATOM 955 CA MET 162 10.699 109.153 11.121 1.00 1.00 ATOM 956 CA GLY 163 13.473 107.306 9.231 1.00 1.00 ATOM 957 CA GLY 164 15.673 107.841 12.273 1.00 1.00 ATOM 958 CA TYR 165 12.959 106.131 14.300 1.00 1.00 ATOM 959 CA GLY 166 13.077 103.329 11.704 1.00 1.00 ATOM 960 CA ALA 167 16.831 103.090 12.276 1.00 1.00 ATOM 961 CA ILE 168 16.455 102.635 16.042 1.00 1.00 ATOM 962 CA CYS 169 13.860 99.893 15.514 1.00 1.00 ATOM 963 CA GLY 170 16.183 98.255 12.965 1.00 1.00 ATOM 964 CA TYR 171 18.998 98.357 15.519 1.00 1.00 ATOM 965 CA LEU 172 16.563 95.398 17.824 1.00 1.00 ATOM 966 CA LYS 173 15.557 94.064 16.092 1.00 1.00 ATOM 967 CA GLY 174 18.378 93.464 13.588 1.00 1.00 ATOM 968 CA GLY 177 21.738 93.500 15.367 1.00 1.00 ATOM 969 CA LYS 178 22.249 90.026 13.898 1.00 1.00 ATOM 970 CA ARG 179 22.147 91.503 10.390 1.00 1.00 ATOM 971 CA TYR 180 23.491 95.071 10.760 1.00 1.00 ATOM 972 CA LYS 181 26.583 96.461 12.500 1.00 1.00 ATOM 973 CA SER 182 26.512 100.193 11.663 1.00 1.00 ATOM 974 CA CYS 183 23.700 102.604 12.515 1.00 1.00 ATOM 975 CA SER 184 23.166 106.218 11.492 1.00 1.00 ATOM 976 CA ALA 185 20.050 107.679 13.151 1.00 1.00 ATOM 977 CA PHE 186 19.618 111.251 11.924 1.00 1.00 ATOM 978 CA ALA 187 17.319 113.707 13.710 1.00 1.00 ATOM 979 CA PRO 188 15.094 111.065 15.261 1.00 1.00 ATOM 980 CA ILE 189 14.919 109.350 18.647 1.00 1.00 ATOM 981 CA VAL 190 13.852 105.816 19.673 1.00 1.00 ATOM 982 CA LEU 206 10.178 105.885 20.748 1.00 1.00 ATOM 983 CA GLY 207 10.333 102.731 22.938 1.00 1.00 ATOM 984 CA GLU 208 10.050 103.669 26.611 1.00 1.00 ATOM 985 CA GLU 209 8.642 106.226 28.999 1.00 1.00 ATOM 986 CA LYS 210 12.041 107.732 29.840 1.00 1.00 ATOM 987 CA ALA 211 15.487 108.030 28.245 1.00 1.00 ATOM 988 CA GLN 212 16.688 105.314 30.576 1.00 1.00 ATOM 989 CA TRP 213 13.984 102.962 29.264 1.00 1.00 ATOM 990 CA GLU 214 15.188 103.644 25.720 1.00 1.00 ATOM 991 CA ALA 215 18.827 103.004 26.591 1.00 1.00 ATOM 992 CA ASP 217 17.929 99.892 28.548 1.00 1.00 ATOM 993 CA PRO 218 15.986 98.479 25.609 1.00 1.00 ATOM 994 CA CYS 219 19.026 98.964 23.363 1.00 1.00 ATOM 995 CA LEU 220 21.281 97.413 26.036 1.00 1.00 ATOM 996 CA LEU 221 18.971 94.408 26.307 1.00 1.00 ATOM 997 CA ILE 222 19.023 93.920 22.526 1.00 1.00 ATOM 998 CA LYS 223 22.823 94.018 22.626 1.00 1.00 ATOM 999 CA ASN 224 22.880 91.501 25.504 1.00 1.00 ATOM 1000 CA ILE 225 20.582 89.144 23.598 1.00 1.00 ATOM 1001 CA ARG 226 22.727 89.432 20.471 1.00 1.00 ATOM 1002 CA HIS 227 25.865 88.283 22.316 1.00 1.00 ATOM 1003 CA VAL 228 27.920 90.817 20.346 1.00 1.00 ATOM 1004 CA GLY 229 30.981 92.550 21.681 1.00 1.00 ATOM 1005 CA ASP 230 31.332 96.324 21.774 1.00 1.00 ATOM 1008 CA ASP 231 28.161 97.385 16.562 1.00 1.00 ATOM 1009 CA ARG 232 28.538 101.121 15.984 1.00 1.00 ATOM 1010 CA ILE 233 26.183 104.056 16.334 1.00 1.00 ATOM 1011 CA LEU 234 26.902 107.422 14.704 1.00 1.00 ATOM 1012 CA ILE 235 23.915 109.609 15.512 1.00 1.00 ATOM 1013 CA HIS 236 23.552 113.161 14.270 1.00 1.00 ATOM 1014 CA VAL 237 21.282 116.152 14.326 1.00 1.00 ATOM 1015 CA GLY 238 21.328 119.936 14.168 1.00 1.00 ATOM 1016 CA ASP 239 21.575 122.214 17.207 1.00 1.00 ATOM 1017 CA SER 240 18.430 123.972 15.926 1.00 1.00 ATOM 1018 CA ASP 241 16.691 120.744 14.918 1.00 1.00 ATOM 1019 CA PRO 242 13.636 119.814 16.997 1.00 1.00 ATOM 1020 CA PHE 243 14.872 116.210 17.155 1.00 1.00 ATOM 1021 CA LEU 244 17.647 117.326 19.495 1.00 1.00 ATOM 1022 CA GLU 245 15.076 117.713 22.286 1.00 1.00 ATOM 1023 CA GLU 246 14.465 113.981 22.512 1.00 1.00 ATOM 1024 CA PRO 250 17.706 112.684 21.006 1.00 1.00 ATOM 1025 CA GLU 251 20.007 114.390 23.452 1.00 1.00 ATOM 1026 CA LEU 252 18.543 112.822 26.629 1.00 1.00 ATOM 1027 CA LEU 253 18.568 109.403 24.944 1.00 1.00 ATOM 1028 CA LEU 254 22.196 109.807 23.859 1.00 1.00 ATOM 1029 CA GLU 255 23.184 110.799 27.397 1.00 1.00 ATOM 1030 CA ALA 256 21.446 107.744 28.843 1.00 1.00 ATOM 1031 CA VAL 257 23.221 105.519 26.284 1.00 1.00 ATOM 1032 CA LYS 258 26.601 107.042 27.152 1.00 1.00 ATOM 1033 CA ALA 259 26.141 105.788 30.718 1.00 1.00 ATOM 1034 CA THR 260 25.820 102.167 29.527 1.00 1.00 ATOM 1035 CA SER 261 28.907 99.926 29.519 1.00 1.00 ATOM 1044 CA TRP 262 39.044 101.886 16.004 1.00 1.00 ATOM 1045 CA GLN 263 38.757 102.772 19.748 1.00 1.00 ATOM 1046 CA ASP 264 35.013 102.940 20.530 1.00 1.00 ATOM 1047 CA TYR 265 31.601 102.683 18.968 1.00 1.00 ATOM 1048 CA VAL 266 29.296 105.620 19.710 1.00 1.00 ATOM 1049 CA GLU 267 29.129 109.257 18.669 1.00 1.00 ATOM 1050 CA ILE 268 26.580 112.075 18.458 1.00 1.00 ATOM 1051 CA LYS 269 27.355 114.829 15.953 1.00 1.00 ATOM 1052 CA LYS 270 25.474 118.078 16.561 1.00 1.00 ATOM 1053 CA VAL 271 25.699 120.625 13.739 1.00 1.00 ATOM 1054 CA HIS 272 25.713 124.220 14.992 1.00 1.00 ATOM 1055 CA GLY 273 22.736 126.198 13.730 1.00 1.00 ATOM 1056 CA PHE 274 21.287 123.487 11.541 1.00 1.00 ATOM 1057 CA ASP 275 17.545 122.964 11.350 1.00 1.00 ATOM 1058 CA HIS 276 15.278 120.014 10.521 1.00 1.00 ATOM 1059 CA SER 277 15.831 119.924 6.784 1.00 1.00 ATOM 1060 CA TYR 278 17.469 117.570 4.265 1.00 1.00 ATOM 1061 CA TYR 279 19.553 120.547 3.119 1.00 1.00 ATOM 1062 CA PHE 280 21.582 120.075 6.308 1.00 1.00 ATOM 1063 CA VAL 281 20.997 116.367 6.987 1.00 1.00 ATOM 1064 CA SER 282 22.653 115.320 3.714 1.00 1.00 ATOM 1065 CA THR 283 25.868 116.798 5.105 1.00 1.00 ATOM 1066 CA PHE 284 25.605 114.644 8.202 1.00 1.00 ATOM 1067 CA VAL 285 25.748 111.634 5.870 1.00 1.00 ATOM 1068 CA PRO 286 28.771 113.185 4.139 1.00 1.00 ATOM 1069 CA GLU 287 30.464 113.535 7.542 1.00 1.00 ATOM 1070 CA HIS 288 29.446 110.167 9.019 1.00 1.00 ATOM 1071 CA ALA 289 29.344 107.679 6.182 1.00 1.00 TER END ################################ # # # END # # # ################################