From mailer@bialko.llnl.gov Thu Aug 1 22:21:39 2002 Date: Thu, 1 Aug 2002 22:21:34 -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 Thu Aug 1 21:54:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_664327_18250 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164SS389_1 Current information on models submitted in prediction T0164SS389 MODEL_INDEX PIN CODE DATE E-mail T0164SS389_1 PIN_664327_18250 1549-8716-6404 08/01/02 21:54:13 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164SS389_1 PIN_664327_18250 1549-8716-6404 08/01/02 21:54:13 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 T0164 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: 166 # Number of residues with nonzero confidence: 166 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0164 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0164.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0164.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0164.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 T0164.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0164 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 T0164.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 195 METHOD METHOD ============================================ METHOD Comments from T0164.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0164 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 T0164.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 195 METHOD METHOD ============================================ METHOD Comments from T0164.t2k.str.rdb METHOD ============================================ METHOD TARGET T0164 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 T0164.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 195 METHOD METHOD ============================================ MODEL 1 N C 0.96 S C 0.88 T H 0.56 D H 0.74 V H 0.85 E H 0.93 E H 0.95 T H 0.96 L H 0.97 K H 0.97 R H 0.96 I H 0.95 Q H 0.93 N H 0.74 N C 0.54 D C 0.91 P C 0.90 D C 0.82 L C 0.63 E E 0.65 E E 0.90 V E 0.89 N E 0.76 L C 0.59 N C 0.70 N C 0.73 I C 0.72 M C 0.81 N C 0.85 I C 0.88 P C 0.91 V H 0.86 P H 0.95 T H 0.96 L H 0.97 K H 0.97 A H 0.97 C H 0.97 A H 0.97 E H 0.95 A H 0.92 L H 0.85 K H 0.60 T C 0.67 N C 0.89 T C 0.88 Y C 0.74 V E 0.48 K E 0.75 K E 0.91 F E 0.89 S E 0.83 I E 0.53 V C 0.70 G C 0.80 T C 0.83 R C 0.83 S C 0.85 N C 0.89 D H 0.78 P H 0.95 V H 0.96 A H 0.97 F H 0.98 A H 0.97 L H 0.97 A H 0.97 E H 0.96 M H 0.94 L H 0.90 K H 0.73 V C 0.50 N C 0.86 N C 0.88 T C 0.79 L C 0.50 K E 0.77 S E 0.93 L E 0.90 N E 0.82 V E 0.50 E C 0.70 S C 0.77 N C 0.82 F C 0.82 I C 0.82 S C 0.85 G H 0.83 S H 0.94 G H 0.96 I H 0.98 L H 0.98 A H 0.97 L H 0.97 V H 0.97 E H 0.96 A H 0.93 L H 0.86 Q H 0.60 S C 0.70 N C 0.92 T C 0.88 S C 0.67 L E 0.58 I E 0.81 E E 0.92 L E 0.87 R E 0.83 I E 0.52 D C 0.71 N C 0.82 Q C 0.87 S C 0.85 Q C 0.87 P C 0.90 L C 0.86 G C 0.87 N H 0.85 N H 0.93 V H 0.95 E H 0.97 M H 0.97 E H 0.97 I H 0.97 A H 0.97 N H 0.97 M H 0.95 L H 0.94 E H 0.79 K H 0.51 N C 0.87 T C 0.86 T C 0.76 L C 0.52 L E 0.56 K E 0.73 F E 0.65 G E 0.54 Y C 0.62 H C 0.76 F C 0.80 T C 0.79 Q C 0.80 Q C 0.80 G C 0.83 P C 0.54 R H 0.64 L H 0.73 R H 0.78 A H 0.87 S H 0.87 N H 0.89 A H 0.85 M H 0.82 M H 0.75 N H 0.60 N H 0.51 N H 0.58 D H 0.71 L H 0.81 V H 0.82 R H 0.79 K H 0.75 R H 0.62 R C 0.55 L C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:26:08 2002 Date: Sun, 18 Aug 2002 09:26:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 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 Sun Aug 18 08:57:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_713515_27029 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS189_1 Current information on models submitted in prediction T0164TS189 MODEL_INDEX PIN CODE DATE E-mail T0164TS189_1 PIN_713515_27029 5035-2079-5263 08/18/02 08:57:58 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS189_1 PIN_713515_27029 5035-2079-5263 08/18/02 08:57:58 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 T0164 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1A4Y_A # Loading PARENT structure: 1a4y (chain: A) # Number of residues in PARENT structure: 460 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue P 293 # IMPORTANT NOTE! Not complete main chain atoms for residue L 294 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 151 # Total number of atoms in model: 151 # Number of atoms with 1.0 occupancy: 151 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 151 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1A4Y_A ATOM 267 CA ASN 179 29.692 3.243 49.611 1.00 1.00 ATOM 268 CA SER 180 28.624 5.052 52.798 1.00 1.00 ATOM 269 CA THR 181 28.110 8.741 53.594 1.00 1.00 ATOM 270 CA ASP 182 31.905 9.190 53.614 1.00 1.00 ATOM 271 CA VAL 183 32.572 8.321 49.972 1.00 1.00 ATOM 272 CA GLU 184 29.364 10.153 49.250 1.00 1.00 ATOM 273 CA GLU 185 31.141 13.278 50.422 1.00 1.00 ATOM 274 CA THR 186 34.027 12.616 48.006 1.00 1.00 ATOM 275 CA LEU 187 31.527 12.013 45.286 1.00 1.00 ATOM 276 CA LYS 188 29.859 15.344 46.039 1.00 1.00 ATOM 277 CA ARG 189 33.058 17.262 45.410 1.00 1.00 ATOM 278 CA ILE 190 32.761 15.872 41.870 1.00 1.00 ATOM 279 CA GLN 191 29.039 16.594 41.344 1.00 1.00 ATOM 280 CA ASN 192 29.418 20.234 42.240 1.00 1.00 ATOM 281 CA ASN 193 32.381 20.652 39.883 1.00 1.00 ATOM 282 CA ASP 194 31.221 18.748 36.790 1.00 1.00 ATOM 283 CA PRO 195 28.190 19.999 34.853 1.00 1.00 ATOM 284 CA ASP 196 28.724 17.157 32.351 1.00 1.00 ATOM 285 CA LEU 197 27.598 14.391 34.722 1.00 1.00 ATOM 286 CA GLU 198 23.911 13.769 34.037 1.00 1.00 ATOM 287 CA GLU 199 23.095 10.343 35.473 1.00 1.00 ATOM 288 CA VAL 200 24.122 8.776 38.715 1.00 1.00 ATOM 289 CA ASN 201 23.092 5.453 40.228 1.00 1.00 ATOM 290 CA LEU 202 23.801 5.029 43.914 1.00 1.00 ATOM 291 CA ASN 203 21.125 2.440 44.647 1.00 1.00 ATOM 292 CA ASN 204 21.929 -0.180 47.278 1.00 1.00 ATOM 293 CA MET 206 24.592 1.783 49.204 1.00 1.00 ATOM 294 CA ASN 207 24.041 2.562 52.891 1.00 1.00 ATOM 295 CA ILE 208 24.264 6.327 52.530 1.00 1.00 ATOM 296 CA PRO 209 21.720 7.145 55.242 1.00 1.00 ATOM 297 CA VAL 210 20.038 10.533 55.766 1.00 1.00 ATOM 298 CA PRO 211 23.508 11.955 56.304 1.00 1.00 ATOM 299 CA THR 212 24.212 10.824 52.711 1.00 1.00 ATOM 300 CA LEU 213 20.907 12.290 51.469 1.00 1.00 ATOM 301 CA LYS 214 21.838 15.483 53.270 1.00 1.00 ATOM 302 CA ALA 215 25.132 15.875 51.423 1.00 1.00 ATOM 303 CA CYS 216 23.477 15.022 48.095 1.00 1.00 ATOM 304 CA ALA 217 20.658 17.496 48.573 1.00 1.00 ATOM 305 CA GLU 218 23.053 20.313 49.515 1.00 1.00 ATOM 306 CA ALA 219 24.968 19.642 46.334 1.00 1.00 ATOM 307 CA LEU 220 21.807 19.478 44.223 1.00 1.00 ATOM 308 CA LYS 221 20.950 22.965 45.444 1.00 1.00 ATOM 309 CA THR 222 24.301 24.481 44.450 1.00 1.00 ATOM 310 CA ASN 223 25.413 25.826 41.062 1.00 1.00 ATOM 311 CA THR 224 27.513 23.580 38.805 1.00 1.00 ATOM 312 CA TYR 225 25.528 20.421 39.535 1.00 1.00 ATOM 314 CA VAL 226 22.479 16.008 37.324 1.00 1.00 ATOM 315 CA LYS 227 19.277 14.970 35.493 1.00 1.00 ATOM 316 CA LYS 228 18.645 11.481 36.915 1.00 1.00 ATOM 317 CA PHE 229 19.352 10.207 40.393 1.00 1.00 ATOM 318 CA SER 230 18.619 6.578 41.405 1.00 1.00 ATOM 319 CA ILE 231 18.788 6.162 45.171 1.00 1.00 ATOM 320 CA VAL 232 16.664 3.078 45.732 1.00 1.00 ATOM 321 CA GLY 233 17.456 1.309 49.008 1.00 1.00 ATOM 322 CA THR 234 19.966 3.851 50.422 1.00 1.00 ATOM 323 CA ARG 235 18.693 3.733 54.012 1.00 1.00 ATOM 324 CA SER 236 16.759 6.977 53.828 1.00 1.00 ATOM 325 CA ASN 237 14.012 7.677 56.348 1.00 1.00 ATOM 326 CA ASP 238 11.296 10.306 56.643 1.00 1.00 ATOM 327 CA PRO 239 13.983 12.638 58.009 1.00 1.00 ATOM 328 CA VAL 240 15.648 13.331 54.645 1.00 1.00 ATOM 329 CA ALA 241 12.438 14.332 52.900 1.00 1.00 ATOM 330 CA PHE 242 12.559 17.978 53.961 1.00 1.00 ATOM 331 CA ALA 243 15.823 18.281 52.001 1.00 1.00 ATOM 332 CA LEU 244 14.517 16.394 48.995 1.00 1.00 ATOM 333 CA ALA 245 11.464 18.636 49.084 1.00 1.00 ATOM 334 CA GLU 246 13.785 21.658 48.682 1.00 1.00 ATOM 335 CA MET 247 15.562 20.139 45.688 1.00 1.00 ATOM 336 CA LEU 248 12.195 19.415 44.003 1.00 1.00 ATOM 337 CA LYS 249 10.926 22.960 44.494 1.00 1.00 ATOM 338 CA VAL 250 14.223 24.690 43.639 1.00 1.00 ATOM 339 CA ASN 251 16.430 22.497 41.420 1.00 1.00 ATOM 340 CA ASN 252 15.697 22.898 37.725 1.00 1.00 ATOM 341 CA THR 253 17.864 20.069 36.298 1.00 1.00 ATOM 342 CA LEU 254 16.712 16.928 38.089 1.00 1.00 ATOM 343 CA LYS 255 14.003 15.246 36.038 1.00 1.00 ATOM 344 CA SER 256 14.122 11.706 37.424 1.00 1.00 ATOM 345 CA LEU 257 14.357 10.625 41.019 1.00 1.00 ATOM 346 CA ASN 258 14.135 7.042 42.250 1.00 1.00 ATOM 347 CA VAL 259 13.716 6.799 46.040 1.00 1.00 ATOM 348 CA GLU 260 11.903 3.457 46.151 1.00 1.00 ATOM 349 CA SER 261 12.590 0.971 48.947 1.00 1.00 ATOM 350 CA ASN 262 13.335 3.693 51.487 1.00 1.00 ATOM 351 CA PHE 263 11.235 4.029 54.650 1.00 1.00 ATOM 352 CA ILE 264 9.993 7.549 54.064 1.00 1.00 ATOM 353 CA SER 265 6.500 6.851 55.467 1.00 1.00 ATOM 354 CA GLY 266 3.519 9.134 54.966 1.00 1.00 ATOM 355 CA SER 267 5.454 11.884 56.781 1.00 1.00 ATOM 356 CA GLY 268 8.336 12.048 54.338 1.00 1.00 ATOM 357 CA ILE 269 6.003 11.691 51.369 1.00 1.00 ATOM 358 CA LEU 270 3.737 14.566 52.476 1.00 1.00 ATOM 359 CA ALA 271 6.815 16.847 52.487 1.00 1.00 ATOM 360 CA LEU 272 8.190 15.592 49.160 1.00 1.00 ATOM 361 CA VAL 273 4.741 16.515 47.967 1.00 1.00 ATOM 362 CA GLU 274 5.160 20.070 49.249 1.00 1.00 ATOM 363 CA ALA 275 8.205 20.849 47.136 1.00 1.00 ATOM 364 CA LEU 276 6.817 19.019 44.123 1.00 1.00 ATOM 365 CA GLN 277 3.562 20.957 44.235 1.00 1.00 ATOM 366 CA SER 278 5.377 24.248 43.761 1.00 1.00 ATOM 367 CA ASN 279 5.307 26.297 40.537 1.00 1.00 ATOM 368 CA THR 280 8.121 25.800 38.092 1.00 1.00 ATOM 369 CA SER 281 8.886 22.336 39.545 1.00 1.00 ATOM 371 CA LEU 282 10.468 16.518 37.942 1.00 1.00 ATOM 372 CA ILE 283 9.225 14.180 35.181 1.00 1.00 ATOM 373 CA GLU 284 9.515 10.685 36.753 1.00 1.00 ATOM 374 CA LEU 285 9.188 9.766 40.406 1.00 1.00 ATOM 375 CA ARG 286 9.533 6.250 41.796 1.00 1.00 ATOM 376 CA ILE 287 8.039 5.823 45.292 1.00 1.00 ATOM 377 CA ASP 288 7.591 2.041 45.257 1.00 1.00 ATOM 378 CA ASN 289 7.719 0.287 48.634 1.00 1.00 ATOM 379 CA GLN 290 8.146 3.516 50.598 1.00 1.00 ATOM 380 CA PRO 293 5.856 2.844 53.584 1.00 1.00 ATOM 381 CA LEU 294 3.032 4.882 51.997 1.00 1.00 ATOM 382 CA GLY 295 -0.557 4.414 53.252 1.00 1.00 ATOM 383 CA ASN 296 -3.984 5.811 52.306 1.00 1.00 ATOM 384 CA ASN 297 -2.749 8.767 54.398 1.00 1.00 ATOM 385 CA VAL 298 -0.464 10.301 51.733 1.00 1.00 ATOM 386 CA GLU 299 -2.949 9.820 48.925 1.00 1.00 ATOM 387 CA MET 300 -4.618 13.189 49.579 1.00 1.00 ATOM 388 CA GLU 301 -1.305 15.059 49.262 1.00 1.00 ATOM 389 CA ILE 302 -0.366 13.005 46.224 1.00 1.00 ATOM 390 CA ALA 303 -3.804 13.662 44.728 1.00 1.00 ATOM 391 CA ASN 304 -3.354 17.407 45.102 1.00 1.00 ATOM 392 CA MET 305 0.301 17.471 43.984 1.00 1.00 ATOM 393 CA LEU 306 -0.774 15.721 40.782 1.00 1.00 ATOM 394 CA GLU 307 -2.920 18.743 40.056 1.00 1.00 ATOM 395 CA LYS 308 -0.604 21.452 41.493 1.00 1.00 ATOM 396 CA ASN 309 2.464 20.138 39.665 1.00 1.00 ATOM 397 CA THR 310 2.584 20.014 35.873 1.00 1.00 ATOM 398 CA THR 311 5.853 18.264 35.174 1.00 1.00 ATOM 399 CA LEU 312 5.233 14.678 36.294 1.00 1.00 ATOM 400 CA LEU 313 4.573 12.220 33.471 1.00 1.00 ATOM 401 CA LYS 314 5.272 8.955 35.284 1.00 1.00 ATOM 402 CA PHE 315 4.647 7.883 38.868 1.00 1.00 ATOM 403 CA GLY 316 5.453 4.533 40.506 1.00 1.00 ATOM 404 CA TYR 317 3.682 3.747 43.809 1.00 1.00 ATOM 405 CA HIS 318 4.092 -0.042 43.683 1.00 1.00 ATOM 406 CA PHE 319 4.110 -2.229 46.768 1.00 1.00 ATOM 407 CA THR 320 2.661 0.351 49.115 1.00 1.00 ATOM 408 CA GLN 321 -0.076 -0.423 51.633 1.00 1.00 ATOM 409 CA GLN 322 -2.266 2.034 49.835 1.00 1.00 ATOM 410 CA GLY 323 -5.912 1.044 49.846 1.00 1.00 ATOM 411 CA PRO 324 -9.273 1.344 48.061 1.00 1.00 ATOM 412 CA ARG 325 -9.537 4.636 49.932 1.00 1.00 ATOM 413 CA LEU 326 -6.170 5.986 48.787 1.00 1.00 ATOM 414 CA ARG 327 -6.614 4.765 45.247 1.00 1.00 ATOM 415 CA ALA 328 -9.953 6.525 44.854 1.00 1.00 ATOM 416 CA SER 329 -8.309 9.856 45.661 1.00 1.00 ATOM 417 CA ASN 330 -5.761 9.296 42.937 1.00 1.00 ATOM 418 CA ALA 331 -8.379 8.161 40.382 1.00 1.00 ATOM 419 CA MET 332 -10.017 11.489 41.176 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:27:18 2002 Date: Sun, 18 Aug 2002 09:27:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 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 Sun Aug 18 08:59:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_729121_27033 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS189_2 Current information on models submitted in prediction T0164TS189 MODEL_INDEX PIN CODE DATE E-mail T0164TS189_2 PIN_729121_27033 5035-2079-5263 08/18/02 08:59:10 casp5@bialko.llnl.gov T0164TS189_1 PIN_713515_27029 5035-2079-5263 08/18/02 08:57:58 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS189_1 PIN_713515_27029 5035-2079-5263 08/18/02 08:57:58 casp5@bialko.llnl.gov T0164TS189_2 PIN_729121_27033 5035-2079-5263 08/18/02 08:59:10 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 T0164 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1YRG_A # Loading PARENT structure: 1yrg (chain: A) # Number of residues in PARENT structure: 343 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue P 293 # IMPORTANT NOTE! Not complete main chain atoms for residue L 294 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # IMPORTANT NOTE! Not complete main chain atoms for residue D 337 # IMPORTANT NOTE! Not complete main chain atoms for residue L 338 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 157 # Total number of atoms in model: 157 # Number of atoms with 1.0 occupancy: 157 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 157 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1YRG_A ATOM 171 CA ASN 179 32.085 91.262 10.625 1.00 1.00 ATOM 172 CA SER 180 33.047 94.682 11.986 1.00 1.00 ATOM 173 CA THR 181 31.391 97.959 11.011 1.00 1.00 ATOM 174 CA ASP 182 32.061 97.308 7.325 1.00 1.00 ATOM 175 CA VAL 183 29.491 94.625 6.584 1.00 1.00 ATOM 176 CA GLU 184 26.962 96.242 8.905 1.00 1.00 ATOM 177 CA GLU 185 25.007 98.197 6.321 1.00 1.00 ATOM 178 CA THR 186 24.737 94.940 4.411 1.00 1.00 ATOM 179 CA LEU 187 23.624 92.855 7.379 1.00 1.00 ATOM 180 CA LYS 188 20.986 95.427 8.250 1.00 1.00 ATOM 181 CA ARG 189 19.530 94.804 4.804 1.00 1.00 ATOM 182 CA ILE 190 19.718 91.094 5.557 1.00 1.00 ATOM 183 CA GLN 191 17.590 91.474 8.691 1.00 1.00 ATOM 184 CA ASN 192 15.161 93.622 6.771 1.00 1.00 ATOM 185 CA ASN 193 14.843 90.546 4.553 1.00 1.00 ATOM 186 CA ASP 194 14.116 88.034 7.348 1.00 1.00 ATOM 187 CA PRO 195 11.644 89.663 9.726 1.00 1.00 ATOM 188 CA ASP 196 10.489 86.327 11.114 1.00 1.00 ATOM 189 CA LEU 197 13.779 85.444 12.782 1.00 1.00 ATOM 190 CA GLU 198 13.760 84.164 16.346 1.00 1.00 ATOM 191 CA GLU 199 17.421 83.898 17.238 1.00 1.00 ATOM 192 CA VAL 200 20.308 86.076 16.138 1.00 1.00 ATOM 193 CA ASN 201 23.786 85.785 17.684 1.00 1.00 ATOM 194 CA LEU 202 26.545 87.976 16.275 1.00 1.00 ATOM 195 CA ASN 203 29.116 87.594 19.026 1.00 1.00 ATOM 196 CA ASN 204 32.761 88.772 18.966 1.00 1.00 ATOM 197 CA MET 206 32.701 90.381 15.528 1.00 1.00 ATOM 198 CA ASN 207 34.665 93.468 16.376 1.00 1.00 ATOM 199 CA ILE 208 31.660 95.646 15.566 1.00 1.00 ATOM 200 CA PRO 209 32.018 99.170 16.948 1.00 1.00 ATOM 201 CA VAL 210 29.491 101.863 18.093 1.00 1.00 ATOM 202 CA PRO 211 28.474 103.188 14.678 1.00 1.00 ATOM 203 CA THR 212 28.039 99.653 13.388 1.00 1.00 ATOM 204 CA LEU 213 26.084 98.468 16.404 1.00 1.00 ATOM 205 CA LYS 214 23.882 101.537 16.089 1.00 1.00 ATOM 207 CA ALA 215 22.641 97.160 12.992 1.00 1.00 ATOM 208 CA CYS 216 20.069 97.860 15.690 1.00 1.00 ATOM 209 CA ALA 217 18.068 100.653 14.079 1.00 1.00 ATOM 210 CA GLU 218 18.345 99.660 10.445 1.00 1.00 ATOM 211 CA ALA 219 18.155 95.912 10.935 1.00 1.00 ATOM 212 CA LEU 220 17.220 93.962 14.044 1.00 1.00 ATOM 213 CA LYS 221 14.586 96.594 14.871 1.00 1.00 ATOM 214 CA THR 222 12.605 95.136 11.936 1.00 1.00 ATOM 215 CA ASN 223 12.513 91.623 13.406 1.00 1.00 ATOM 216 CA THR 224 9.411 91.786 15.598 1.00 1.00 ATOM 217 CA TYR 225 9.492 88.055 16.319 1.00 1.00 ATOM 218 CA VAL 226 12.940 88.216 17.865 1.00 1.00 ATOM 219 CA LYS 227 13.283 86.010 20.963 1.00 1.00 ATOM 220 CA LYS 228 17.044 85.659 21.447 1.00 1.00 ATOM 221 CA PHE 229 19.606 88.333 20.662 1.00 1.00 ATOM 222 CA SER 230 23.248 88.035 21.629 1.00 1.00 ATOM 223 CA ILE 231 25.744 90.738 20.743 1.00 1.00 ATOM 224 CA VAL 232 28.254 89.690 23.353 1.00 1.00 ATOM 225 CA GLY 233 31.726 91.222 23.024 1.00 1.00 ATOM 226 CA THR 234 31.128 94.092 20.587 1.00 1.00 ATOM 227 CA ARG 235 31.705 97.763 21.481 1.00 1.00 ATOM 228 CA SER 236 28.501 99.681 22.136 1.00 1.00 ATOM 229 CA ASN 237 29.383 102.717 24.269 1.00 1.00 ATOM 230 CA ASP 238 26.607 105.258 24.855 1.00 1.00 ATOM 231 CA PRO 239 25.995 105.530 21.117 1.00 1.00 ATOM 232 CA VAL 240 24.984 101.913 20.624 1.00 1.00 ATOM 233 CA ALA 241 23.222 101.840 23.981 1.00 1.00 ATOM 234 CA PHE 242 20.984 104.676 22.847 1.00 1.00 ATOM 235 CA ALA 243 20.308 102.694 19.702 1.00 1.00 ATOM 236 CA LEU 244 19.404 99.576 21.685 1.00 1.00 ATOM 237 CA ALA 245 17.175 101.714 23.869 1.00 1.00 ATOM 238 CA GLU 246 15.065 102.749 20.889 1.00 1.00 ATOM 239 CA MET 247 15.004 99.236 19.432 1.00 1.00 ATOM 240 CA LEU 248 13.883 97.302 22.536 1.00 1.00 ATOM 241 CA LYS 249 10.271 98.333 21.979 1.00 1.00 ATOM 242 CA VAL 250 10.382 96.439 18.661 1.00 1.00 ATOM 243 CA ASN 251 10.857 93.065 20.362 1.00 1.00 ATOM 244 CA ASN 252 7.763 92.361 22.486 1.00 1.00 ATOM 245 CA THR 253 8.552 88.656 22.392 1.00 1.00 ATOM 246 CA LEU 254 12.115 89.150 23.567 1.00 1.00 ATOM 247 CA LYS 255 13.234 86.429 25.996 1.00 1.00 ATOM 248 CA SER 256 17.028 86.724 25.966 1.00 1.00 ATOM 249 CA LEU 257 19.276 89.769 25.639 1.00 1.00 ATOM 250 CA ASN 258 22.996 89.046 25.722 1.00 1.00 ATOM 251 CA VAL 259 25.121 92.145 26.218 1.00 1.00 ATOM 252 CA GLU 260 28.157 90.714 28.032 1.00 1.00 ATOM 253 CA SER 261 31.414 92.624 27.546 1.00 1.00 ATOM 254 CA ASN 262 29.771 95.266 25.376 1.00 1.00 ATOM 255 CA PHE 263 31.093 98.359 27.123 1.00 1.00 ATOM 256 CA ILE 264 27.629 99.889 27.221 1.00 1.00 ATOM 257 CA SER 265 29.029 102.523 29.619 1.00 1.00 ATOM 258 CA GLY 266 27.346 103.780 32.795 1.00 1.00 ATOM 259 CA SER 267 25.183 106.326 30.969 1.00 1.00 ATOM 260 CA GLY 268 24.500 103.857 28.190 1.00 1.00 ATOM 261 CA ILE 269 23.423 101.138 30.591 1.00 1.00 ATOM 262 CA LEU 270 21.217 103.686 32.348 1.00 1.00 ATOM 263 CA ALA 271 19.574 104.451 29.007 1.00 1.00 ATOM 264 CA LEU 272 18.928 100.786 28.373 1.00 1.00 ATOM 265 CA VAL 273 17.516 100.243 31.866 1.00 1.00 ATOM 266 CA GLU 274 15.279 103.253 31.339 1.00 1.00 ATOM 267 CA ALA 275 13.988 101.921 28.020 1.00 1.00 ATOM 268 CA LEU 276 13.094 98.639 29.741 1.00 1.00 ATOM 269 CA GLN 277 11.184 100.562 32.409 1.00 1.00 ATOM 270 CA SER 278 8.903 101.847 29.676 1.00 1.00 ATOM 271 CA ASN 279 7.962 98.446 28.284 1.00 1.00 ATOM 272 CA THR 280 4.844 96.581 29.247 1.00 1.00 ATOM 273 CA SER 281 4.384 92.803 29.384 1.00 1.00 ATOM 276 CA LEU 282 12.192 88.689 29.317 1.00 1.00 ATOM 277 CA ILE 283 13.833 85.649 30.963 1.00 1.00 ATOM 278 CA GLU 284 17.604 86.148 30.754 1.00 1.00 ATOM 279 CA LEU 285 19.478 89.453 30.773 1.00 1.00 ATOM 280 CA ARG 286 23.303 89.358 30.488 1.00 1.00 ATOM 281 CA ILE 287 25.084 92.635 31.370 1.00 1.00 ATOM 282 CA ASP 288 28.591 91.596 32.450 1.00 1.00 ATOM 283 CA ASN 289 31.477 94.034 32.140 1.00 1.00 ATOM 284 CA GLN 290 29.574 97.080 30.928 1.00 1.00 ATOM 285 CA PRO 293 30.924 99.711 33.314 1.00 1.00 ATOM 286 CA LEU 294 27.469 99.731 34.852 1.00 1.00 ATOM 287 CA GLY 295 27.246 101.757 38.054 1.00 1.00 ATOM 288 CA ASN 296 25.153 101.628 41.222 1.00 1.00 ATOM 289 CA ASN 297 22.367 104.020 40.269 1.00 1.00 ATOM 290 CA VAL 298 21.453 102.075 37.133 1.00 1.00 ATOM 291 CA GLU 299 21.392 98.851 39.126 1.00 1.00 ATOM 292 CA MET 300 19.064 100.464 41.688 1.00 1.00 ATOM 293 CA GLU 301 16.716 101.475 38.879 1.00 1.00 ATOM 294 CA ILE 302 17.129 98.107 37.179 1.00 1.00 ATOM 295 CA ALA 303 16.061 96.415 40.410 1.00 1.00 ATOM 296 CA ASN 304 12.698 98.096 40.741 1.00 1.00 ATOM 297 CA MET 305 12.254 97.586 37.007 1.00 1.00 ATOM 298 CA LEU 306 12.832 93.877 37.457 1.00 1.00 ATOM 300 CA GLU 307 7.791 95.592 38.882 1.00 1.00 ATOM 301 CA LYS 308 8.186 94.795 35.196 1.00 1.00 ATOM 302 CA ASN 309 10.044 91.514 34.601 1.00 1.00 ATOM 303 CA THR 310 7.929 88.810 36.268 1.00 1.00 ATOM 304 CA THR 311 9.503 86.076 34.182 1.00 1.00 ATOM 305 CA LEU 312 13.169 86.862 34.677 1.00 1.00 ATOM 306 CA LEU 313 15.172 83.710 35.385 1.00 1.00 ATOM 307 CA LYS 314 18.777 84.917 34.988 1.00 1.00 ATOM 308 CA PHE 315 20.563 88.194 35.650 1.00 1.00 ATOM 309 CA GLY 316 24.298 88.521 35.028 1.00 1.00 ATOM 310 CA TYR 317 25.992 91.663 36.340 1.00 1.00 ATOM 311 CA HIS 318 29.491 90.514 37.224 1.00 1.00 ATOM 312 CA PHE 319 32.441 92.637 36.170 1.00 1.00 ATOM 313 CA THR 320 30.657 95.985 36.573 1.00 1.00 ATOM 314 CA GLN 321 31.344 99.258 38.425 1.00 1.00 ATOM 315 CA GLN 322 29.593 98.649 41.755 1.00 1.00 ATOM 316 CA GLY 323 30.081 96.473 44.828 1.00 1.00 ATOM 317 CA PRO 324 28.607 93.065 45.624 1.00 1.00 ATOM 318 CA ARG 325 28.011 94.550 49.077 1.00 1.00 ATOM 319 CA LEU 326 25.739 97.387 47.898 1.00 1.00 ATOM 320 CA ARG 327 22.198 97.098 49.235 1.00 1.00 ATOM 321 CA ALA 328 20.636 96.557 45.800 1.00 1.00 ATOM 322 CA SER 329 22.375 93.214 45.512 1.00 1.00 ATOM 323 CA ASN 330 20.479 91.787 48.453 1.00 1.00 ATOM 324 CA ALA 331 17.325 93.527 47.199 1.00 1.00 ATOM 325 CA MET 332 17.550 91.820 43.825 1.00 1.00 ATOM 326 CA MET 333 18.229 88.591 45.674 1.00 1.00 ATOM 327 CA ASN 334 15.094 89.287 47.716 1.00 1.00 ATOM 328 CA ASN 335 12.915 89.759 44.654 1.00 1.00 ATOM 329 CA ASN 336 13.972 86.342 43.380 1.00 1.00 ATOM 330 CA ASP 337 13.597 84.682 46.781 1.00 1.00 ATOM 331 CA LEU 338 10.154 86.100 47.328 1.00 1.00 TER END ################################ # # # END # # # ################################