From mailer@bialko.llnl.gov Wed Aug 7 20:43:07 2002 Date: Wed, 7 Aug 2002 20:43:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 20:15:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_276304_19727 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172SS389_1 Current information on models submitted in prediction T0172SS389 MODEL_INDEX PIN CODE DATE E-mail T0172SS389_1 PIN_276304_19727 1549-8716-6404 08/07/02 20:15:06 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172SS389_1 PIN_276304_19727 1549-8716-6404 08/07/02 20:15:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0172 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 T0172 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0172.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0172.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0172.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 T0172.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0172 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 T0172.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 256 METHOD METHOD ============================================ METHOD Comments from T0172.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0172 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 T0172.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 256 METHOD METHOD ============================================ METHOD Comments from T0172.t2k.str.rdb METHOD ============================================ METHOD TARGET T0172 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 T0172.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 256 METHOD METHOD ============================================ MODEL 1 M C 0.92 R C 0.71 K C 0.56 Y C 0.58 S C 0.65 Q C 0.60 R C 0.62 H C 0.52 I H 0.55 P H 0.85 V H 0.95 M H 0.96 V H 0.97 R H 0.97 E H 0.97 V H 0.97 I H 0.96 E H 0.92 F H 0.84 L C 0.52 K C 0.89 P C 0.91 E C 0.93 D C 0.90 E C 0.93 K C 0.74 I E 0.86 I E 0.96 L E 0.96 D E 0.94 C E 0.71 T C 0.54 V C 0.78 G C 0.86 E C 0.76 G C 0.55 G H 0.92 H H 0.96 S H 0.97 R H 0.97 A H 0.97 I H 0.97 L H 0.96 E H 0.89 H H 0.73 C C 0.89 P C 0.94 G C 0.96 C C 0.75 R E 0.88 I E 0.97 I E 0.97 G E 0.97 I E 0.90 D E 0.56 V C 0.92 D C 0.96 S H 0.90 E H 0.94 V H 0.97 L H 0.98 R H 0.97 I H 0.97 A H 0.97 E H 0.97 E H 0.96 K H 0.93 L H 0.90 K H 0.83 E H 0.68 F C 0.61 S C 0.91 D C 0.89 R C 0.72 V E 0.65 S E 0.90 L E 0.93 F E 0.90 K E 0.79 V C 0.61 S C 0.78 Y H 0.58 R H 0.59 E H 0.61 A C 0.56 D C 0.51 F H 0.53 L H 0.53 L H 0.51 K H 0.52 T H 0.53 L C 0.60 G C 0.78 I C 0.79 E C 0.84 K C 0.82 V C 0.67 D C 0.56 G E 0.97 I E 0.98 L E 0.98 M E 0.94 D C 0.57 L C 0.86 G C 0.84 V C 0.75 S C 0.79 T C 0.70 Y C 0.70 Q C 0.68 L C 0.70 K C 0.79 G C 0.68 E C 0.59 N C 0.56 R C 0.68 G C 0.80 F C 0.69 T C 0.54 F C 0.52 E C 0.64 R C 0.78 E C 0.86 E C 0.89 P C 0.80 L C 0.66 D C 0.59 M C 0.55 R C 0.60 M C 0.64 D C 0.89 L C 0.87 E C 0.88 S C 0.85 E C 0.87 V C 0.78 T C 0.83 A H 0.92 Q H 0.94 K H 0.94 V H 0.92 L H 0.80 N C 0.52 E C 0.73 L C 0.87 P C 0.88 E H 0.93 E H 0.93 E H 0.93 L H 0.95 A H 0.95 R H 0.94 I H 0.94 I H 0.92 F H 0.87 E H 0.80 Y H 0.65 G C 0.72 E C 0.56 E H 0.58 K H 0.75 R H 0.79 F H 0.81 A H 0.86 R H 0.91 R H 0.92 I H 0.95 A H 0.95 R H 0.95 K H 0.95 I H 0.95 V H 0.93 E H 0.83 N H 0.67 R C 0.83 P C 0.85 L C 0.71 N C 0.65 T C 0.53 T H 0.86 L H 0.94 D H 0.94 L H 0.96 V H 0.97 K H 0.97 A H 0.97 V H 0.97 R H 0.95 E H 0.88 A H 0.80 L C 0.60 P C 0.76 S C 0.62 Y H 0.50 E H 0.60 I H 0.59 R H 0.57 R C 0.53 R C 0.71 K C 0.85 R C 0.89 H C 0.90 F H 0.71 A H 0.81 T H 0.89 K H 0.91 T H 0.93 F H 0.95 Q H 0.95 A H 0.95 I H 0.95 R H 0.94 I H 0.92 Y H 0.87 V H 0.79 N H 0.64 R C 0.53 E C 0.55 L H 0.62 E H 0.72 N H 0.80 L H 0.92 K H 0.95 E H 0.96 F H 0.96 L H 0.97 K H 0.97 K H 0.96 A H 0.96 E H 0.95 D H 0.86 L H 0.66 L C 0.60 N C 0.85 P C 0.76 G C 0.81 G C 0.50 R E 0.83 I E 0.97 V E 0.97 V E 0.97 I E 0.92 S E 0.78 F C 0.61 H C 0.87 S C 0.92 L C 0.54 E H 0.56 D H 0.78 R H 0.89 I H 0.93 V H 0.95 K H 0.96 E H 0.97 T H 0.96 F H 0.95 R H 0.88 N H 0.70 S C 0.69 K C 0.73 K C 0.63 L C 0.56 R C 0.49 I E 0.44 L E 0.42 T C 0.50 E C 0.63 K C 0.77 P C 0.78 V C 0.69 R C 0.83 P C 0.94 S C 0.94 E H 0.94 E H 0.96 E H 0.96 I H 0.96 R H 0.92 E H 0.84 N C 0.73 P C 0.70 R C 0.69 A C 0.69 R C 0.62 S C 0.52 G H 0.52 R H 0.59 L H 0.51 R H 0.56 A H 0.54 A H 0.53 E H 0.53 R H 0.45 I C 0.46 E C 0.76 E C 0.89 G C 0.90 G C 0.93 D C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:01:19 2002 Date: Wed, 14 Aug 2002 10:01:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 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 Wed Aug 14 09:33:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_467014_23562 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS189_1 Current information on models submitted in prediction T0172TS189 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1DUS_A # Loading PARENT structure: 1dus (chain: A) # Number of residues in PARENT structure: 192 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue Y 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue H 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue P 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue M 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue R 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue R 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue K 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue R 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue L 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 146 # Total number of atoms in model: 146 # Number of atoms with 1.0 occupancy: 146 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 146 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1DUS_A ATOM 34 CA LYS 3 31.498 15.803 7.638 1.00 1.00 ATOM 35 CA TYR 4 30.851 15.182 11.322 1.00 1.00 ATOM 36 CA SER 5 29.925 11.664 12.430 1.00 1.00 ATOM 37 CA GLN 6 30.989 9.764 9.340 1.00 1.00 ATOM 38 CA ARG 7 29.634 6.218 9.245 1.00 1.00 ATOM 39 CA HIS 8 27.285 6.278 12.248 1.00 1.00 ATOM 40 CA ILE 9 24.758 8.430 14.008 1.00 1.00 ATOM 41 CA PRO 10 26.542 10.181 16.856 1.00 1.00 ATOM 42 CA VAL 11 25.543 8.989 20.356 1.00 1.00 ATOM 43 CA MET 12 25.113 12.552 21.592 1.00 1.00 ATOM 44 CA VAL 13 22.986 13.446 18.622 1.00 1.00 ATOM 45 CA ARG 14 20.826 10.344 19.178 1.00 1.00 ATOM 46 CA GLU 15 20.244 11.178 22.841 1.00 1.00 ATOM 47 CA VAL 16 19.350 14.767 21.945 1.00 1.00 ATOM 48 CA ILE 17 16.931 13.720 19.193 1.00 1.00 ATOM 49 CA GLU 18 15.197 11.155 21.399 1.00 1.00 ATOM 50 CA PHE 19 14.712 13.631 24.235 1.00 1.00 ATOM 51 CA LEU 20 13.784 16.882 22.557 1.00 1.00 ATOM 52 CA LYS 21 10.127 17.859 22.938 1.00 1.00 ATOM 53 CA PRO 22 8.524 19.640 20.002 1.00 1.00 ATOM 54 CA GLU 23 5.092 21.037 19.151 1.00 1.00 ATOM 55 CA ASP 24 3.282 20.712 15.803 1.00 1.00 ATOM 56 CA GLU 25 3.367 24.504 15.341 1.00 1.00 ATOM 57 CA LYS 26 7.086 24.927 16.014 1.00 1.00 ATOM 58 CA ILE 27 9.467 26.584 13.573 1.00 1.00 ATOM 59 CA ILE 28 12.802 24.989 14.409 1.00 1.00 ATOM 60 CA LEU 29 16.461 25.548 13.672 1.00 1.00 ATOM 61 CA ASP 30 18.994 22.678 13.627 1.00 1.00 ATOM 62 CA CYS 31 22.254 24.556 14.072 1.00 1.00 ATOM 63 CA THR 32 25.417 22.889 12.781 1.00 1.00 ATOM 64 CA VAL 33 23.306 20.284 11.045 1.00 1.00 ATOM 65 CA GLY 34 26.023 18.131 9.527 1.00 1.00 ATOM 66 CA GLU 35 24.295 15.628 7.247 1.00 1.00 ATOM 67 CA GLY 36 20.919 16.435 8.734 1.00 1.00 ATOM 68 CA GLY 37 20.046 13.996 11.493 1.00 1.00 ATOM 69 CA HIS 38 18.262 16.365 13.882 1.00 1.00 ATOM 70 CA SER 39 16.238 18.247 11.288 1.00 1.00 ATOM 71 CA ARG 40 15.270 15.100 9.404 1.00 1.00 ATOM 72 CA ALA 41 14.296 13.188 12.562 1.00 1.00 ATOM 73 CA ILE 42 11.996 16.011 13.647 1.00 1.00 ATOM 74 CA LEU 43 10.690 17.461 10.355 1.00 1.00 ATOM 75 CA GLU 44 7.346 15.656 10.223 1.00 1.00 ATOM 76 CA HIS 45 6.524 16.665 13.793 1.00 1.00 ATOM 77 CA CYS 46 6.781 20.445 13.456 1.00 1.00 ATOM 78 CA CYS 49 5.660 23.386 11.312 1.00 1.00 ATOM 79 CA ARG 50 8.974 24.233 9.637 1.00 1.00 ATOM 80 CA ILE 51 12.597 23.210 9.850 1.00 1.00 ATOM 81 CA ILE 52 15.740 25.140 8.967 1.00 1.00 ATOM 83 CA ILE 54 22.199 25.273 8.841 1.00 1.00 ATOM 84 CA ASP 55 25.909 24.527 8.570 1.00 1.00 ATOM 85 CA VAL 56 29.059 26.240 7.439 1.00 1.00 ATOM 86 CA ASP 57 30.331 23.071 5.693 1.00 1.00 ATOM 87 CA SER 58 29.120 23.063 2.045 1.00 1.00 ATOM 88 CA GLU 59 29.499 19.324 1.745 1.00 1.00 ATOM 89 CA VAL 60 27.276 18.951 4.844 1.00 1.00 ATOM 90 CA LEU 61 24.619 21.165 3.254 1.00 1.00 ATOM 91 CA ARG 62 24.713 19.006 0.113 1.00 1.00 ATOM 92 CA ILE 63 24.303 15.782 2.093 1.00 1.00 ATOM 93 CA ALA 64 21.462 17.142 4.232 1.00 1.00 ATOM 94 CA GLU 65 19.562 18.126 1.056 1.00 1.00 ATOM 95 CA GLU 66 20.145 14.652 -0.388 1.00 1.00 ATOM 96 CA LYS 67 19.084 13.061 2.898 1.00 1.00 ATOM 97 CA LEU 68 15.751 14.910 2.853 1.00 1.00 ATOM 98 CA LYS 69 15.073 12.910 -0.350 1.00 1.00 ATOM 99 CA GLU 70 16.278 9.600 1.103 1.00 1.00 ATOM 100 CA PHE 71 13.695 9.925 3.833 1.00 1.00 ATOM 101 CA SER 72 10.660 11.010 1.794 1.00 1.00 ATOM 105 CA ASP 73 7.369 19.237 4.505 1.00 1.00 ATOM 106 CA ARG 74 8.598 22.791 4.989 1.00 1.00 ATOM 107 CA VAL 75 12.326 22.130 5.281 1.00 1.00 ATOM 108 CA SER 76 15.201 24.250 4.073 1.00 1.00 ATOM 109 CA LEU 77 18.962 23.760 4.275 1.00 1.00 ATOM 110 CA PHE 78 20.995 26.962 4.445 1.00 1.00 ATOM 111 CA LYS 79 24.717 27.658 4.316 1.00 1.00 ATOM 112 CA VAL 80 25.552 29.723 7.412 1.00 1.00 ATOM 113 CA SER 81 28.475 30.670 9.655 1.00 1.00 ATOM 114 CA TYR 82 26.669 30.034 12.934 1.00 1.00 ATOM 115 CA ARG 83 23.456 32.135 12.798 1.00 1.00 ATOM 116 CA GLU 84 24.614 34.607 10.187 1.00 1.00 ATOM 117 CA ALA 85 22.420 33.449 7.310 1.00 1.00 ATOM 118 CA ASP 86 19.314 32.257 9.179 1.00 1.00 ATOM 119 CA PHE 87 18.209 35.427 10.927 1.00 1.00 ATOM 120 CA LEU 88 15.404 35.971 8.403 1.00 1.00 ATOM 121 CA GLU 95 12.925 34.485 10.862 1.00 1.00 ATOM 122 CA LYS 96 12.463 33.729 14.549 1.00 1.00 ATOM 123 CA VAL 97 12.286 30.200 15.935 1.00 1.00 ATOM 124 CA ASP 98 10.378 28.302 18.589 1.00 1.00 ATOM 125 CA GLY 99 13.253 25.882 19.072 1.00 1.00 ATOM 126 CA ILE 100 16.989 25.970 18.363 1.00 1.00 ATOM 127 CA LEU 101 18.484 22.468 18.657 1.00 1.00 ATOM 128 CA MET 102 22.171 21.716 18.462 1.00 1.00 ATOM 129 CA ASP 103 25.041 19.305 19.159 1.00 1.00 ATOM 130 CA LEU 104 27.674 22.056 19.289 1.00 1.00 ATOM 131 CA GLY 105 31.335 21.714 18.304 1.00 1.00 ATOM 132 CA VAL 215 33.578 21.556 21.389 1.00 1.00 ATOM 133 CA ASN 216 37.176 21.856 20.189 1.00 1.00 ATOM 134 CA ARG 217 36.183 25.244 18.751 1.00 1.00 ATOM 135 CA GLU 218 36.313 26.570 22.303 1.00 1.00 ATOM 136 CA LEU 219 33.989 28.069 24.897 1.00 1.00 ATOM 137 CA GLU 220 33.700 31.443 23.124 1.00 1.00 ATOM 138 CA ASN 221 31.863 29.812 20.232 1.00 1.00 ATOM 139 CA LEU 222 29.672 27.881 22.668 1.00 1.00 ATOM 140 CA LYS 223 28.749 31.089 24.505 1.00 1.00 ATOM 141 CA GLU 224 27.921 32.773 21.220 1.00 1.00 ATOM 142 CA PHE 225 25.525 29.964 20.262 1.00 1.00 ATOM 143 CA LEU 226 23.675 30.610 23.514 1.00 1.00 ATOM 144 CA LYS 227 23.680 34.409 23.580 1.00 1.00 ATOM 145 CA LYS 228 22.804 34.976 19.911 1.00 1.00 ATOM 146 CA ALA 229 20.317 32.138 20.137 1.00 1.00 ATOM 147 CA GLU 230 18.245 34.050 22.662 1.00 1.00 ATOM 148 CA ASP 231 17.851 36.900 20.180 1.00 1.00 ATOM 149 CA LEU 232 16.405 34.519 17.589 1.00 1.00 ATOM 150 CA LEU 233 13.868 32.781 19.779 1.00 1.00 ATOM 151 CA ASN 234 10.181 33.611 19.850 1.00 1.00 ATOM 152 CA PRO 235 8.695 34.252 23.283 1.00 1.00 ATOM 153 CA GLY 236 8.612 30.948 25.219 1.00 1.00 ATOM 154 CA GLY 237 11.008 29.513 22.658 1.00 1.00 ATOM 155 CA ARG 238 13.682 27.084 23.823 1.00 1.00 ATOM 156 CA ILE 239 17.280 26.252 23.009 1.00 1.00 ATOM 157 CA VAL 240 18.337 22.609 23.430 1.00 1.00 ATOM 158 CA VAL 241 21.939 21.472 23.491 1.00 1.00 ATOM 159 CA ILE 242 23.719 18.191 24.108 1.00 1.00 ATOM 160 CA SER 243 27.176 18.281 25.672 1.00 1.00 ATOM 161 CA PHE 244 29.400 15.687 27.303 1.00 1.00 ATOM 162 CA HIS 245 28.980 15.697 31.054 1.00 1.00 ATOM 163 CA SER 246 30.812 16.751 34.193 1.00 1.00 ATOM 164 CA LEU 247 32.260 20.233 34.392 1.00 1.00 ATOM 165 CA GLU 248 31.742 20.912 30.676 1.00 1.00 ATOM 166 CA ASP 249 27.990 20.572 30.834 1.00 1.00 ATOM 167 CA ARG 250 28.052 22.366 34.213 1.00 1.00 ATOM 168 CA ILE 251 29.991 25.363 32.917 1.00 1.00 ATOM 169 CA VAL 252 27.660 25.636 29.934 1.00 1.00 ATOM 170 CA LYS 253 24.524 25.231 32.096 1.00 1.00 ATOM 171 CA GLU 254 25.774 28.108 34.276 1.00 1.00 ATOM 172 CA THR 255 26.216 30.289 31.208 1.00 1.00 ATOM 174 CA ARG 257 21.237 30.302 33.209 1.00 1.00 ATOM 175 CA ASN 258 23.224 33.552 33.068 1.00 1.00 ATOM 176 CA SER 259 21.826 34.372 29.650 1.00 1.00 ATOM 178 CA LYS 260 17.525 33.247 33.598 1.00 1.00 ATOM 179 CA LYS 261 16.882 29.491 33.627 1.00 1.00 ATOM 180 CA LEU 262 18.327 26.141 32.595 1.00 1.00 ATOM 181 CA ARG 263 17.257 22.562 32.975 1.00 1.00 ATOM 182 CA ILE 264 18.996 19.243 32.579 1.00 1.00 ATOM 183 CA LEU 265 16.536 17.167 30.611 1.00 1.00 ATOM 184 CA THR 266 18.510 13.993 30.577 1.00 1.00 ATOM 185 CA GLU 267 21.906 12.553 31.424 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:04:18 2002 Date: Wed, 14 Aug 2002 10:04:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 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 Wed Aug 14 09:36:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_494615_23570 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS189_2 Current information on models submitted in prediction T0172TS189 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_2 PIN_494615_23570 5035-2079-5263 08/14/02 09:36:20 casp5@bialko.llnl.gov T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 casp5@bialko.llnl.gov T0172TS189_2 PIN_494615_23570 5035-2079-5263 08/14/02 09:36:20 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 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 T0172 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1DL5_A # Loading PARENT structure: 1dl5 (chain: A) # Number of residues in PARENT structure: 317 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue Y 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue H 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue P 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue M 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue R 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # 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 A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 125 # Total number of atoms in model: 125 # Number of atoms with 1.0 occupancy: 125 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 125 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1DL5_A ATOM 54 CA LYS 3 -2.164 -28.742 7.427 1.00 1.00 ATOM 55 CA TYR 4 -2.064 -26.472 4.405 1.00 1.00 ATOM 56 CA SER 5 0.413 -25.585 1.647 1.00 1.00 ATOM 57 CA GLN 6 0.375 -23.518 -1.524 1.00 1.00 ATOM 58 CA ARG 7 2.276 -23.342 -4.802 1.00 1.00 ATOM 59 CA HIS 8 3.444 -19.726 -5.201 1.00 1.00 ATOM 60 CA ILE 9 2.633 -17.358 -8.061 1.00 1.00 ATOM 61 CA PRO 10 4.937 -18.354 -10.959 1.00 1.00 ATOM 62 CA VAL 11 5.876 -14.799 -11.966 1.00 1.00 ATOM 63 CA MET 12 6.906 -13.885 -8.420 1.00 1.00 ATOM 64 CA VAL 13 9.165 -16.927 -8.237 1.00 1.00 ATOM 65 CA ARG 14 10.640 -16.122 -11.647 1.00 1.00 ATOM 66 CA GLU 15 11.305 -12.552 -10.463 1.00 1.00 ATOM 67 CA VAL 16 12.929 -13.849 -7.285 1.00 1.00 ATOM 68 CA ILE 17 15.153 -16.086 -9.410 1.00 1.00 ATOM 69 CA GLU 18 16.064 -13.213 -11.739 1.00 1.00 ATOM 70 CA PHE 19 16.861 -10.952 -8.774 1.00 1.00 ATOM 71 CA LEU 20 19.306 -13.370 -7.154 1.00 1.00 ATOM 72 CA LYS 21 20.816 -14.122 -10.554 1.00 1.00 ATOM 73 CA PRO 22 20.045 -17.834 -10.325 1.00 1.00 ATOM 74 CA GLU 23 21.932 -19.640 -13.088 1.00 1.00 ATOM 75 CA ASP 24 23.671 -22.862 -14.107 1.00 1.00 ATOM 76 CA GLU 25 25.829 -24.688 -11.574 1.00 1.00 ATOM 77 CA LYS 26 24.591 -22.892 -8.471 1.00 1.00 ATOM 78 CA ILE 27 23.691 -24.465 -5.136 1.00 1.00 ATOM 79 CA ILE 28 20.462 -23.220 -3.564 1.00 1.00 ATOM 80 CA LEU 29 18.979 -23.624 -0.104 1.00 1.00 ATOM 81 CA ASP 30 15.208 -23.152 -0.318 1.00 1.00 ATOM 82 CA CYS 31 13.277 -22.500 2.899 1.00 1.00 ATOM 83 CA THR 32 9.639 -23.659 2.878 1.00 1.00 ATOM 84 CA VAL 33 9.645 -26.328 0.167 1.00 1.00 ATOM 85 CA GLY 34 5.964 -27.270 0.201 1.00 1.00 ATOM 86 CA GLU 35 5.101 -30.057 -2.236 1.00 1.00 ATOM 87 CA GLY 36 8.140 -29.153 -4.327 1.00 1.00 ATOM 88 CA GLY 37 7.125 -27.244 -7.460 1.00 1.00 ATOM 89 CA HIS 38 9.454 -24.278 -6.994 1.00 1.00 ATOM 90 CA SER 39 12.346 -26.521 -5.969 1.00 1.00 ATOM 91 CA ARG 40 11.771 -28.527 -9.157 1.00 1.00 ATOM 92 CA ALA 41 11.752 -25.419 -11.344 1.00 1.00 ATOM 93 CA ILE 42 14.933 -24.079 -9.735 1.00 1.00 ATOM 94 CA LEU 43 16.569 -27.483 -10.231 1.00 1.00 ATOM 95 CA GLU 44 16.264 -26.959 -13.991 1.00 1.00 ATOM 96 CA HIS 45 17.647 -23.443 -13.697 1.00 1.00 ATOM 97 CA CYS 46 20.828 -24.571 -11.931 1.00 1.00 ATOM 99 CA PRO 47 22.591 -31.054 -13.646 1.00 1.00 ATOM 100 CA GLY 48 25.762 -29.657 -12.070 1.00 1.00 ATOM 101 CA CYS 49 23.758 -27.486 -9.698 1.00 1.00 ATOM 102 CA ARG 50 21.829 -28.508 -6.590 1.00 1.00 ATOM 103 CA ILE 51 18.648 -27.516 -4.774 1.00 1.00 ATOM 104 CA ILE 52 18.269 -28.341 -1.071 1.00 1.00 ATOM 105 CA GLY 53 14.763 -27.575 0.181 1.00 1.00 ATOM 106 CA ILE 54 13.452 -27.619 3.759 1.00 1.00 ATOM 107 CA ASP 55 9.801 -28.325 4.623 1.00 1.00 ATOM 108 CA VAL 56 8.583 -28.260 8.235 1.00 1.00 ATOM 109 CA ASP 57 5.475 -30.406 7.764 1.00 1.00 ATOM 110 CA SER 58 6.343 -34.107 7.768 1.00 1.00 ATOM 111 CA GLU 59 3.371 -35.046 5.569 1.00 1.00 ATOM 112 CA VAL 60 3.975 -32.284 3.039 1.00 1.00 ATOM 113 CA LEU 61 7.726 -32.918 2.986 1.00 1.00 ATOM 114 CA ARG 62 7.191 -36.614 2.279 1.00 1.00 ATOM 115 CA ILE 63 4.836 -35.707 -0.569 1.00 1.00 ATOM 116 CA ALA 64 7.563 -33.464 -1.988 1.00 1.00 ATOM 117 CA GLU 65 10.160 -36.236 -1.788 1.00 1.00 ATOM 118 CA GLU 66 7.750 -38.484 -3.699 1.00 1.00 ATOM 119 CA LYS 67 7.063 -35.856 -6.366 1.00 1.00 ATOM 120 CA LEU 68 10.790 -35.320 -6.864 1.00 1.00 ATOM 121 CA LYS 69 11.288 -39.060 -7.249 1.00 1.00 ATOM 122 CA GLU 70 8.311 -39.506 -9.596 1.00 1.00 ATOM 123 CA PHE 71 9.686 -36.815 -11.898 1.00 1.00 ATOM 124 CA SER 72 13.125 -38.433 -11.863 1.00 1.00 ATOM 126 CA ASP 73 18.254 -36.120 -9.196 1.00 1.00 ATOM 127 CA ARG 74 19.482 -32.729 -8.006 1.00 1.00 ATOM 128 CA VAL 75 16.831 -31.810 -5.427 1.00 1.00 ATOM 129 CA SER 76 17.277 -32.888 -1.816 1.00 1.00 ATOM 130 CA LEU 77 14.342 -32.353 0.518 1.00 1.00 ATOM 131 CA PHE 78 14.926 -32.135 4.256 1.00 1.00 ATOM 132 CA LYS 79 12.036 -32.489 6.676 1.00 1.00 ATOM 133 CA VAL 80 12.488 -30.108 9.589 1.00 1.00 ATOM 134 CA SER 81 12.554 -26.503 10.814 1.00 1.00 ATOM 135 CA TYR 82 14.154 -24.277 8.177 1.00 1.00 ATOM 136 CA ARG 83 15.591 -22.261 11.067 1.00 1.00 ATOM 137 CA GLU 84 18.513 -24.697 11.229 1.00 1.00 ATOM 138 CA ALA 85 19.279 -24.622 7.521 1.00 1.00 ATOM 139 CA ASP 86 21.181 -27.595 6.072 1.00 1.00 ATOM 140 CA PHE 87 24.889 -27.251 6.861 1.00 1.00 ATOM 141 CA LEU 88 25.916 -30.599 5.368 1.00 1.00 ATOM 142 CA LEU 89 25.443 -29.304 1.808 1.00 1.00 ATOM 143 CA GLU 95 26.717 -25.752 2.299 1.00 1.00 ATOM 144 CA LYS 96 28.164 -23.414 1.072 1.00 1.00 ATOM 145 CA VAL 97 25.175 -22.158 -0.917 1.00 1.00 ATOM 146 CA ASP 98 25.153 -19.520 -3.644 1.00 1.00 ATOM 147 CA GLY 99 21.590 -18.501 -2.786 1.00 1.00 ATOM 148 CA ILE 100 19.202 -18.775 0.171 1.00 1.00 ATOM 149 CA LEU 101 15.721 -18.703 -1.440 1.00 1.00 ATOM 150 CA MET 102 12.894 -18.206 1.086 1.00 1.00 ATOM 151 CA ASP 103 9.306 -19.030 0.131 1.00 1.00 ATOM 152 CA LEU 104 7.617 -18.616 3.516 1.00 1.00 ATOM 153 CA GLY 105 7.369 -15.526 5.713 1.00 1.00 ATOM 154 CA VAL 106 10.157 -15.645 8.322 1.00 1.00 ATOM 155 CA SER 107 10.834 -13.607 11.479 1.00 1.00 ATOM 156 CA THR 108 14.518 -13.204 10.646 1.00 1.00 ATOM 157 CA TYR 109 17.392 -14.545 8.574 1.00 1.00 ATOM 158 CA GLN 110 19.096 -16.765 11.211 1.00 1.00 ATOM 159 CA LYS 227 22.865 -16.849 11.556 1.00 1.00 ATOM 160 CA LYS 228 22.716 -20.453 10.322 1.00 1.00 ATOM 161 CA ALA 229 21.787 -19.319 6.815 1.00 1.00 ATOM 162 CA GLU 230 24.442 -16.604 6.903 1.00 1.00 ATOM 163 CA ASP 231 27.139 -19.091 7.888 1.00 1.00 ATOM 164 CA LEU 232 25.973 -21.524 5.197 1.00 1.00 ATOM 165 CA LEU 233 26.088 -18.825 2.497 1.00 1.00 ATOM 166 CA ASN 234 29.145 -18.148 0.313 1.00 1.00 ATOM 167 CA PRO 235 30.747 -14.720 0.361 1.00 1.00 ATOM 168 CA GLY 236 28.918 -12.829 -2.393 1.00 1.00 ATOM 169 CA GLY 237 25.919 -15.141 -2.150 1.00 1.00 ATOM 170 CA ARG 238 22.370 -13.774 -2.227 1.00 1.00 ATOM 171 CA ILE 239 19.323 -14.088 -0.006 1.00 1.00 ATOM 172 CA VAL 240 15.799 -13.302 -1.222 1.00 1.00 ATOM 173 CA VAL 241 13.504 -13.323 1.784 1.00 1.00 ATOM 174 CA ILE 242 10.022 -12.241 2.944 1.00 1.00 ATOM 175 CA SER 243 10.222 -11.010 6.556 1.00 1.00 ATOM 176 CA PHE 244 7.353 -11.110 9.043 1.00 1.00 ATOM 177 CA HIS 245 6.989 -7.526 10.235 1.00 1.00 ATOM 178 CA SER 246 4.203 -8.532 12.614 1.00 1.00 ATOM 179 CA LEU 247 4.273 -5.258 14.559 1.00 1.00 ATOM 180 CA GLU 248 3.104 -3.520 11.370 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:02:30 2002 Date: Wed, 14 Aug 2002 10:02:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 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 Wed Aug 14 09:34:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_478015_23566 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS189_3 Current information on models submitted in prediction T0172TS189 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1I9G_A # Loading PARENT structure: 1i9g (chain: A) # Number of residues in PARENT structure: 264 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue Y 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue H 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue P 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue M 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue R 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue C 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 137 # Total number of atoms in model: 137 # Number of atoms with 1.0 occupancy: 137 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 137 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1I9G_A ATOM 78 CA LYS 3 23.845 -22.005 17.457 1.00 1.00 ATOM 79 CA TYR 4 20.732 -19.849 17.980 1.00 1.00 ATOM 80 CA SER 5 19.364 -16.468 16.900 1.00 1.00 ATOM 81 CA GLN 6 21.955 -14.687 14.720 1.00 1.00 ATOM 82 CA ARG 7 24.553 -12.808 16.759 1.00 1.00 ATOM 83 CA HIS 8 25.329 -9.188 15.957 1.00 1.00 ATOM 84 CA ILE 9 28.718 -8.896 14.158 1.00 1.00 ATOM 85 CA PRO 10 31.725 -7.250 15.795 1.00 1.00 ATOM 86 CA VAL 11 31.873 -4.038 13.728 1.00 1.00 ATOM 87 CA MET 12 28.218 -3.382 14.595 1.00 1.00 ATOM 88 CA VAL 13 28.412 -4.244 18.317 1.00 1.00 ATOM 89 CA ARG 14 31.435 -1.916 18.594 1.00 1.00 ATOM 90 CA GLU 15 29.529 1.010 17.043 1.00 1.00 ATOM 91 CA VAL 16 26.364 0.332 19.127 1.00 1.00 ATOM 92 CA ILE 17 28.459 0.651 22.294 1.00 1.00 ATOM 93 CA GLU 18 30.334 3.711 20.987 1.00 1.00 ATOM 94 CA PHE 19 27.763 5.706 18.979 1.00 1.00 ATOM 95 CA LEU 20 25.002 4.556 21.352 1.00 1.00 ATOM 96 CA LYS 21 27.168 6.036 24.156 1.00 1.00 ATOM 97 CA PRO 22 26.700 3.113 26.578 1.00 1.00 ATOM 98 CA GLU 23 28.397 4.763 29.567 1.00 1.00 ATOM 99 CA ASP 24 29.552 3.339 32.931 1.00 1.00 ATOM 100 CA GLU 25 26.561 3.356 35.299 1.00 1.00 ATOM 101 CA LYS 26 23.991 3.594 32.480 1.00 1.00 ATOM 102 CA ILE 27 20.632 1.825 32.643 1.00 1.00 ATOM 103 CA ILE 28 20.264 0.199 29.196 1.00 1.00 ATOM 104 CA LEU 29 17.190 -1.321 27.568 1.00 1.00 ATOM 105 CA ASP 30 17.764 -4.018 24.929 1.00 1.00 ATOM 106 CA CYS 31 15.301 -5.884 22.810 1.00 1.00 ATOM 107 CA THR 32 15.742 -8.818 21.015 1.00 1.00 ATOM 108 CA VAL 33 18.133 -10.512 23.575 1.00 1.00 ATOM 109 CA GLY 34 18.524 -13.290 20.955 1.00 1.00 ATOM 110 CA GLU 35 21.743 -15.189 21.651 1.00 1.00 ATOM 111 CA GLY 36 23.018 -12.544 24.129 1.00 1.00 ATOM 112 CA GLY 37 26.029 -11.510 21.986 1.00 1.00 ATOM 113 CA HIS 38 25.184 -7.795 22.082 1.00 1.00 ATOM 114 CA SER 39 24.037 -8.202 25.719 1.00 1.00 ATOM 115 CA ARG 40 27.618 -9.108 26.741 1.00 1.00 ATOM 116 CA ALA 41 29.032 -5.899 25.168 1.00 1.00 ATOM 117 CA ILE 42 26.285 -3.862 26.840 1.00 1.00 ATOM 118 CA LEU 43 27.006 -5.425 30.255 1.00 1.00 ATOM 119 CA GLU 44 30.751 -4.821 29.844 1.00 1.00 ATOM 120 CA HIS 45 30.157 -1.159 28.900 1.00 1.00 ATOM 121 CA CYS 46 27.782 -0.270 31.783 1.00 1.00 ATOM 123 CA PRO 47 28.776 -3.181 37.885 1.00 1.00 ATOM 124 CA GLY 48 27.160 0.149 38.740 1.00 1.00 ATOM 125 CA CYS 49 24.910 0.102 35.655 1.00 1.00 ATOM 126 CA ARG 50 22.181 -2.292 34.544 1.00 1.00 ATOM 127 CA ILE 51 20.960 -3.984 31.348 1.00 1.00 ATOM 128 CA ILE 52 17.274 -4.893 30.946 1.00 1.00 ATOM 129 CA GLY 53 16.843 -7.258 27.987 1.00 1.00 ATOM 130 CA ILE 54 13.507 -8.419 26.576 1.00 1.00 ATOM 131 CA ASP 55 13.213 -11.655 24.630 1.00 1.00 ATOM 132 CA VAL 56 9.675 -12.638 23.646 1.00 1.00 ATOM 133 CA ASP 57 10.582 -16.257 22.753 1.00 1.00 ATOM 134 CA SER 58 11.177 -18.512 25.791 1.00 1.00 ATOM 135 CA GLU 59 13.447 -20.799 23.742 1.00 1.00 ATOM 136 CA VAL 60 15.634 -17.901 22.493 1.00 1.00 ATOM 137 CA LEU 61 15.716 -16.485 26.023 1.00 1.00 ATOM 138 CA ARG 62 17.177 -19.744 27.364 1.00 1.00 ATOM 139 CA ILE 63 19.957 -19.446 24.767 1.00 1.00 ATOM 140 CA ALA 64 20.765 -15.859 25.840 1.00 1.00 ATOM 141 CA GLU 65 20.583 -16.771 29.528 1.00 1.00 ATOM 142 CA GLU 66 22.932 -19.732 28.969 1.00 1.00 ATOM 143 CA LYS 67 25.364 -17.740 26.786 1.00 1.00 ATOM 144 CA LEU 68 25.508 -14.768 29.164 1.00 1.00 ATOM 145 CA LYS 69 26.106 -17.025 32.167 1.00 1.00 ATOM 146 CA GLU 70 28.769 -19.022 30.295 1.00 1.00 ATOM 147 CA PHE 71 30.863 -15.869 29.843 1.00 1.00 ATOM 148 CA SER 72 30.915 -15.141 33.582 1.00 1.00 ATOM 153 CA ASP 73 23.460 -9.559 39.109 1.00 1.00 ATOM 154 CA ARG 74 22.960 -6.417 36.995 1.00 1.00 ATOM 155 CA VAL 75 21.203 -8.195 34.136 1.00 1.00 ATOM 156 CA SER 76 17.421 -8.617 33.983 1.00 1.00 ATOM 157 CA LEU 77 16.105 -10.821 31.140 1.00 1.00 ATOM 158 CA PHE 78 12.343 -10.401 30.592 1.00 1.00 ATOM 159 CA LYS 79 10.588 -13.114 28.606 1.00 1.00 ATOM 160 CA VAL 80 7.946 -10.952 26.963 1.00 1.00 ATOM 161 CA SER 81 7.245 -8.603 24.081 1.00 1.00 ATOM 162 CA TYR 82 8.903 -5.244 24.809 1.00 1.00 ATOM 163 CA ARG 83 5.643 -3.532 23.722 1.00 1.00 ATOM 164 CA GLU 84 4.035 -4.954 26.891 1.00 1.00 ATOM 165 CA ALA 85 6.764 -3.592 29.176 1.00 1.00 ATOM 166 CA ASP 86 5.509 -2.477 32.579 1.00 1.00 ATOM 167 CA PHE 87 8.682 -0.654 33.667 1.00 1.00 ATOM 168 CA LEU 88 8.270 2.946 34.840 1.00 1.00 ATOM 169 CA LEU 89 8.376 5.950 32.511 1.00 1.00 ATOM 170 CA GLU 95 11.858 7.344 31.877 1.00 1.00 ATOM 171 CA LYS 96 13.607 4.453 33.601 1.00 1.00 ATOM 172 CA VAL 97 16.400 3.847 31.054 1.00 1.00 ATOM 173 CA ASP 98 19.247 6.035 29.798 1.00 1.00 ATOM 174 CA GLY 99 19.937 4.171 26.545 1.00 1.00 ATOM 175 CA ILE 100 18.029 1.736 24.325 1.00 1.00 ATOM 176 CA LEU 101 19.112 -0.683 21.609 1.00 1.00 ATOM 177 CA MET 102 16.828 -2.587 19.256 1.00 1.00 ATOM 178 CA ASP 103 17.692 -5.600 17.105 1.00 1.00 ATOM 179 CA LEU 104 14.485 -7.290 15.862 1.00 1.00 ATOM 180 CA GLY 105 12.456 -7.817 12.702 1.00 1.00 ATOM 181 CA ASN 221 9.914 -5.085 13.480 1.00 1.00 ATOM 182 CA LEU 222 11.254 -2.340 15.711 1.00 1.00 ATOM 183 CA LYS 223 8.421 0.032 14.824 1.00 1.00 ATOM 184 CA GLU 224 6.119 -2.275 16.886 1.00 1.00 ATOM 185 CA PHE 225 7.929 -1.388 20.136 1.00 1.00 ATOM 186 CA LEU 226 8.556 2.316 19.560 1.00 1.00 ATOM 187 CA LYS 227 5.755 3.609 21.778 1.00 1.00 ATOM 188 CA LYS 228 7.185 1.543 24.666 1.00 1.00 ATOM 189 CA ALA 229 10.739 2.765 23.926 1.00 1.00 ATOM 190 CA GLU 230 9.599 6.403 23.683 1.00 1.00 ATOM 191 CA ASP 231 7.930 6.096 27.116 1.00 1.00 ATOM 192 CA LEU 232 10.811 4.223 28.757 1.00 1.00 ATOM 193 CA LEU 233 13.764 6.278 27.511 1.00 1.00 ATOM 194 CA ASN 234 14.657 9.479 29.353 1.00 1.00 ATOM 195 CA PRO 235 14.927 12.861 27.692 1.00 1.00 ATOM 196 CA GLY 236 18.221 13.138 25.797 1.00 1.00 ATOM 197 CA GLY 237 18.562 9.323 25.824 1.00 1.00 ATOM 198 CA ARG 238 20.127 7.496 22.862 1.00 1.00 ATOM 199 CA ILE 239 18.290 4.902 20.829 1.00 1.00 ATOM 200 CA VAL 240 20.244 2.644 18.414 1.00 1.00 ATOM 201 CA VAL 241 18.383 0.480 15.880 1.00 1.00 ATOM 202 CA ILE 242 19.960 -2.424 13.944 1.00 1.00 ATOM 203 CA SER 243 18.080 -3.516 10.797 1.00 1.00 ATOM 205 CA PHE 244 17.141 -4.583 5.111 1.00 1.00 ATOM 206 CA HIS 245 16.526 -1.229 3.459 1.00 1.00 ATOM 207 CA SER 246 12.740 -1.838 3.738 1.00 1.00 ATOM 208 CA LEU 247 13.130 -2.125 7.516 1.00 1.00 ATOM 209 CA GLU 248 15.438 0.889 7.464 1.00 1.00 ATOM 210 CA ASP 249 12.964 3.172 5.703 1.00 1.00 ATOM 211 CA ARG 250 10.050 1.982 7.895 1.00 1.00 ATOM 212 CA ILE 251 11.817 2.554 11.229 1.00 1.00 ATOM 213 CA VAL 252 13.239 5.979 10.228 1.00 1.00 ATOM 214 CA LYS 253 9.802 7.137 9.037 1.00 1.00 ATOM 215 CA GLU 254 8.107 5.706 12.201 1.00 1.00 ATOM 216 CA THR 255 10.613 7.650 14.358 1.00 1.00 ATOM 217 CA PHE 256 9.868 10.880 12.491 1.00 1.00 ATOM 218 CA ARG 257 6.081 10.257 12.742 1.00 1.00 ATOM 219 CA ASN 258 6.276 9.799 16.529 1.00 1.00 ATOM 220 CA SER 259 7.627 13.379 16.743 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:07:39 2002 Date: Wed, 14 Aug 2002 10:07:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:39:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_528391_23576 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS189_4 Current information on models submitted in prediction T0172TS189 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_4 PIN_528391_23576 5035-2079-5263 08/14/02 09:39:52 casp5@bialko.llnl.gov T0172TS189_2 PIN_494615_23570 5035-2079-5263 08/14/02 09:36:20 casp5@bialko.llnl.gov T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 casp5@bialko.llnl.gov T0172TS189_2 PIN_494615_23570 5035-2079-5263 08/14/02 09:36:20 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_4 PIN_528391_23576 5035-2079-5263 08/14/02 09:39:52 casp5@bialko.llnl.gov T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 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 T0172 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1G6Q_2 # Loading PARENT structure: 1g6q (chain: 2) # Number of residues in PARENT structure: 320 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue M 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue R 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 214 # IMPORTANT NOTE! Not complete main chain atoms for residue V 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue R 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # IMPORTANT NOTE! Not complete main chain atoms for residue F 244 # IMPORTANT NOTE! Not complete main chain atoms for residue H 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue L 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue V 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue E 254 # IMPORTANT NOTE! Not complete main chain atoms for residue T 255 # IMPORTANT NOTE! Not complete main chain atoms for residue F 256 # IMPORTANT NOTE! Not complete main chain atoms for residue R 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1G6Q_2 ATOM 45 CA VAL 11 16.666 70.738 -11.569 1.00 1.00 ATOM 46 CA MET 12 17.353 69.886 -7.905 1.00 1.00 ATOM 47 CA VAL 13 19.114 66.710 -8.987 1.00 1.00 ATOM 48 CA ARG 14 21.409 68.538 -11.433 1.00 1.00 ATOM 49 CA GLU 15 22.148 71.262 -8.853 1.00 1.00 ATOM 50 CA VAL 16 23.156 68.686 -6.243 1.00 1.00 ATOM 51 CA ILE 17 25.391 66.876 -8.784 1.00 1.00 ATOM 52 CA GLU 18 27.079 70.206 -9.850 1.00 1.00 ATOM 53 CA PHE 19 27.881 70.793 -6.171 1.00 1.00 ATOM 54 CA LEU 20 28.671 67.158 -5.183 1.00 1.00 ATOM 55 CA LYS 21 32.068 67.960 -3.819 1.00 1.00 ATOM 56 CA PRO 22 30.555 70.774 -1.746 1.00 1.00 ATOM 57 CA GLU 23 28.217 68.184 -0.340 1.00 1.00 ATOM 58 CA ASP 24 30.949 65.600 0.278 1.00 1.00 ATOM 59 CA GLU 25 31.290 65.549 4.085 1.00 1.00 ATOM 60 CA LYS 26 28.561 67.941 5.163 1.00 1.00 ATOM 61 CA ILE 27 25.341 68.080 7.299 1.00 1.00 ATOM 62 CA ILE 28 22.283 68.727 5.122 1.00 1.00 ATOM 63 CA LEU 29 18.870 70.048 6.171 1.00 1.00 ATOM 64 CA ASP 30 15.828 69.226 4.068 1.00 1.00 ATOM 65 CA CYS 31 13.032 71.565 4.867 1.00 1.00 ATOM 66 CA THR 32 9.770 69.970 3.841 1.00 1.00 ATOM 67 CA VAL 33 11.249 66.643 2.740 1.00 1.00 ATOM 68 CA GLY 34 8.121 64.834 1.560 1.00 1.00 ATOM 69 CA GLU 35 8.991 61.334 0.371 1.00 1.00 ATOM 70 CA GLY 36 12.619 62.211 1.099 1.00 1.00 ATOM 71 CA GLY 37 13.667 62.266 -2.628 1.00 1.00 ATOM 72 CA HIS 38 15.962 65.348 -2.202 1.00 1.00 ATOM 73 CA SER 39 17.487 63.904 0.981 1.00 1.00 ATOM 74 CA ARG 40 18.270 60.748 -0.925 1.00 1.00 ATOM 75 CA ALA 41 19.924 62.798 -3.726 1.00 1.00 ATOM 76 CA ILE 42 22.083 64.632 -1.186 1.00 1.00 ATOM 77 CA LEU 43 23.182 61.449 0.565 1.00 1.00 ATOM 78 CA GLU 44 23.573 59.712 -2.832 1.00 1.00 ATOM 79 CA HIS 45 26.117 62.382 -3.857 1.00 1.00 ATOM 80 CA PRO 47 28.076 62.226 -0.709 1.00 1.00 ATOM 81 CA GLY 48 27.073 63.916 2.531 1.00 1.00 ATOM 82 CA CYS 49 27.890 63.178 6.194 1.00 1.00 ATOM 83 CA ARG 50 24.268 63.175 7.199 1.00 1.00 ATOM 84 CA ILE 51 21.008 64.637 6.056 1.00 1.00 ATOM 85 CA ILE 52 18.175 65.721 8.440 1.00 1.00 ATOM 86 CA GLY 53 14.868 65.760 6.568 1.00 1.00 ATOM 87 CA ILE 54 11.869 67.415 8.171 1.00 1.00 ATOM 88 CA ASP 55 8.165 67.569 7.365 1.00 1.00 ATOM 89 CA VAL 56 4.896 67.877 9.281 1.00 1.00 ATOM 90 CA ASP 57 3.132 65.226 7.163 1.00 1.00 ATOM 91 CA SER 58 2.475 61.444 7.515 1.00 1.00 ATOM 92 CA VAL 60 4.501 60.643 4.392 1.00 1.00 ATOM 93 CA LEU 61 7.548 60.734 6.698 1.00 1.00 ATOM 94 CA ARG 62 6.723 57.135 7.703 1.00 1.00 ATOM 95 CA ILE 63 6.722 56.102 4.048 1.00 1.00 ATOM 96 CA ALA 64 9.947 58.060 3.416 1.00 1.00 ATOM 97 CA GLU 65 11.571 56.172 6.278 1.00 1.00 ATOM 98 CA GLU 66 10.732 52.907 4.466 1.00 1.00 ATOM 99 CA LYS 67 12.118 54.382 1.262 1.00 1.00 ATOM 100 CA LEU 68 15.353 55.532 2.919 1.00 1.00 ATOM 101 CA LYS 69 15.949 52.023 4.289 1.00 1.00 ATOM 102 CA GLU 70 15.081 50.295 0.989 1.00 1.00 ATOM 103 CA PHE 71 17.603 52.428 -0.909 1.00 1.00 ATOM 104 CA SER 72 20.290 51.843 1.648 1.00 1.00 ATOM 107 CA ASP 73 22.445 55.400 8.387 1.00 1.00 ATOM 108 CA ARG 74 22.981 58.742 6.603 1.00 1.00 ATOM 109 CA VAL 75 19.335 60.093 6.705 1.00 1.00 ATOM 110 CA SER 76 17.268 60.982 9.722 1.00 1.00 ATOM 111 CA LEU 77 13.740 62.109 9.121 1.00 1.00 ATOM 112 CA PHE 78 11.815 64.153 11.642 1.00 1.00 ATOM 113 CA LYS 79 8.069 64.475 11.597 1.00 1.00 ATOM 114 CA VAL 80 7.009 67.950 12.722 1.00 1.00 ATOM 115 CA SER 81 7.257 71.726 12.055 1.00 1.00 ATOM 116 CA TYR 82 10.938 73.007 12.045 1.00 1.00 ATOM 117 CA ARG 83 10.323 75.124 15.129 1.00 1.00 ATOM 118 CA GLU 84 9.000 72.161 17.203 1.00 1.00 ATOM 119 CA ALA 85 11.810 69.812 16.249 1.00 1.00 ATOM 120 CA ASP 86 15.159 69.253 17.963 1.00 1.00 ATOM 121 CA PHE 87 17.755 68.707 15.240 1.00 1.00 ATOM 122 CA LEU 88 20.532 66.095 16.159 1.00 1.00 ATOM 123 CA LEU 89 23.279 68.323 14.738 1.00 1.00 ATOM 124 CA GLU 95 22.227 72.007 15.437 1.00 1.00 ATOM 125 CA LYS 96 24.651 73.427 12.869 1.00 1.00 ATOM 126 CA VAL 97 23.837 72.544 9.348 1.00 1.00 ATOM 127 CA ASP 98 26.076 73.231 6.298 1.00 1.00 ATOM 128 CA GLY 99 23.644 73.148 3.455 1.00 1.00 ATOM 129 CA ILE 100 19.902 73.689 3.377 1.00 1.00 ATOM 130 CA LEU 101 17.869 72.137 0.566 1.00 1.00 ATOM 131 CA MET 102 14.191 72.764 0.262 1.00 1.00 ATOM 132 CA ASP 103 11.437 72.697 -2.306 1.00 1.00 ATOM 133 CA LEU 104 9.676 75.648 -0.652 1.00 1.00 ATOM 134 CA GLY 105 8.019 77.513 -3.562 1.00 1.00 ATOM 135 CA ILE 213 4.295 77.918 -3.829 1.00 1.00 ATOM 136 CA TYR 214 1.895 79.091 -6.603 1.00 1.00 ATOM 137 CA VAL 215 2.729 82.810 -6.969 1.00 1.00 ATOM 138 CA ASN 216 6.180 81.881 -5.521 1.00 1.00 ATOM 139 CA ARG 217 5.000 83.129 -2.195 1.00 1.00 ATOM 140 CA GLU 218 1.488 81.665 -2.039 1.00 1.00 ATOM 141 CA LEU 219 1.466 78.651 0.374 1.00 1.00 ATOM 142 CA GLU 220 5.163 78.680 0.538 1.00 1.00 ATOM 143 CA ASN 221 7.684 77.414 3.065 1.00 1.00 ATOM 144 CA LEU 222 10.011 80.412 2.574 1.00 1.00 ATOM 145 CA LYS 223 9.323 81.540 6.136 1.00 1.00 ATOM 146 CA GLU 224 10.504 78.174 7.446 1.00 1.00 ATOM 147 CA PHE 225 13.539 78.244 5.140 1.00 1.00 ATOM 148 CA LEU 226 14.669 81.700 6.319 1.00 1.00 ATOM 149 CA LYS 227 14.051 80.485 9.890 1.00 1.00 ATOM 150 CA LYS 228 16.323 77.540 9.045 1.00 1.00 ATOM 151 CA ALA 229 19.161 79.714 7.683 1.00 1.00 ATOM 152 CA GLU 230 18.868 82.222 10.549 1.00 1.00 ATOM 153 CA ASP 231 18.956 79.489 13.199 1.00 1.00 ATOM 154 CA LEU 232 21.110 76.550 11.953 1.00 1.00 ATOM 155 CA LEU 233 23.170 77.503 8.887 1.00 1.00 ATOM 156 CA ASN 234 26.869 78.242 8.990 1.00 1.00 ATOM 157 CA PRO 235 26.910 81.897 7.756 1.00 1.00 ATOM 158 CA GLY 236 28.388 81.297 4.237 1.00 1.00 ATOM 159 CA GLY 237 26.191 78.184 3.996 1.00 1.00 ATOM 160 CA ARG 238 24.597 76.975 0.761 1.00 1.00 ATOM 161 CA ILE 239 20.831 77.231 0.143 1.00 1.00 ATOM 162 CA VAL 240 19.178 75.092 -2.654 1.00 1.00 ATOM 167 CA VAL 241 12.157 86.174 -9.022 1.00 1.00 ATOM 168 CA ILE 242 8.543 86.969 -9.910 1.00 1.00 ATOM 169 CA SER 243 7.530 88.029 -13.434 1.00 1.00 ATOM 170 CA PHE 244 4.471 89.087 -15.505 1.00 1.00 ATOM 171 CA HIS 245 3.048 89.734 -18.928 1.00 1.00 ATOM 172 CA SER 246 -0.220 90.504 -20.603 1.00 1.00 ATOM 173 CA LEU 247 -2.609 87.723 -21.369 1.00 1.00 ATOM 174 CA GLU 248 -5.200 87.216 -24.072 1.00 1.00 ATOM 175 CA ASP 249 -8.039 85.127 -22.661 1.00 1.00 ATOM 176 CA ARG 250 -11.240 86.623 -24.144 1.00 1.00 ATOM 177 CA ILE 251 -13.025 83.351 -24.986 1.00 1.00 ATOM 178 CA VAL 252 -12.655 81.807 -21.531 1.00 1.00 ATOM 179 CA LYS 253 -13.047 84.967 -19.454 1.00 1.00 ATOM 180 CA GLU 254 -16.305 85.967 -21.211 1.00 1.00 ATOM 181 CA THR 255 -17.669 82.414 -20.790 1.00 1.00 ATOM 182 CA PHE 256 -16.743 82.463 -17.040 1.00 1.00 ATOM 183 CA ARG 257 -18.393 85.829 -16.451 1.00 1.00 ATOM 184 CA ASN 258 -21.463 85.355 -18.750 1.00 1.00 ATOM 185 CA SER 259 -22.595 82.267 -16.746 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 10:04:08 2002 Date: Wed, 14 Aug 2002 10:04:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0172 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 09:35:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_487216_23569 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0172TS189_5 Current information on models submitted in prediction T0172TS189 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 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 T0172 MODEL_INDEX PIN CODE DATE E-mail T0172TS189_1 PIN_467014_23562 5035-2079-5263 08/14/02 09:33:31 casp5@bialko.llnl.gov T0172TS189_3 PIN_478015_23566 5035-2079-5263 08/14/02 09:34:47 casp5@bialko.llnl.gov T0172TS189_5 PIN_487216_23569 5035-2079-5263 08/14/02 09:35:43 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 T0172 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1XVA_A # Loading PARENT structure: 1xva (chain: A) # Number of residues in PARENT structure: 292 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 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 H 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue P 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue M 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue R 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue R 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue I 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue C 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue K 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue R 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue K 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue L 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue F 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue L 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue G 237 # IMPORTANT NOTE! Not complete main chain atoms for residue R 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue I 242 # IMPORTANT NOTE! Not complete main chain atoms for residue S 243 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0172 # Total number of residues in target: 299 # Total number of residues in model: 131 # Total number of atoms in model: 131 # Number of atoms with 1.0 occupancy: 131 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 131 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0172 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1XVA_A ATOM 39 CA ARG 7 59.480 64.881 16.911 1.00 1.00 ATOM 40 CA HIS 8 56.303 65.025 14.709 1.00 1.00 ATOM 41 CA ILE 9 52.771 65.989 15.522 1.00 1.00 ATOM 42 CA PRO 10 49.895 63.516 15.487 1.00 1.00 ATOM 43 CA VAL 11 47.866 66.073 13.448 1.00 1.00 ATOM 44 CA MET 12 50.514 66.094 10.761 1.00 1.00 ATOM 45 CA VAL 13 50.952 62.328 10.636 1.00 1.00 ATOM 46 CA ARG 14 47.229 61.766 10.349 1.00 1.00 ATOM 47 CA GLU 15 46.781 64.609 7.835 1.00 1.00 ATOM 48 CA VAL 16 49.615 63.496 5.555 1.00 1.00 ATOM 49 CA ILE 17 48.744 59.745 5.786 1.00 1.00 ATOM 50 CA GLU 18 45.010 60.223 5.073 1.00 1.00 ATOM 51 CA PHE 19 45.689 62.417 1.991 1.00 1.00 ATOM 52 CA LEU 20 48.106 59.972 0.401 1.00 1.00 ATOM 53 CA LYS 21 45.944 57.002 1.174 1.00 1.00 ATOM 54 CA PRO 22 42.835 58.891 0.052 1.00 1.00 ATOM 55 CA GLU 23 44.289 59.270 -3.386 1.00 1.00 ATOM 56 CA ASP 24 45.833 55.797 -3.541 1.00 1.00 ATOM 57 CA GLU 25 49.463 57.009 -3.512 1.00 1.00 ATOM 58 CA LYS 26 52.194 54.340 -3.124 1.00 1.00 ATOM 59 CA ILE 27 55.488 55.685 -4.632 1.00 1.00 ATOM 60 CA ILE 28 56.436 59.038 -3.062 1.00 1.00 ATOM 61 CA LEU 29 59.388 61.349 -3.802 1.00 1.00 ATOM 62 CA ASP 30 60.447 63.515 -0.844 1.00 1.00 ATOM 63 CA CYS 31 62.323 66.306 -2.558 1.00 1.00 ATOM 64 CA THR 32 63.307 68.109 0.605 1.00 1.00 ATOM 65 CA VAL 33 64.496 65.236 2.635 1.00 1.00 ATOM 66 CA GLY 34 66.676 66.870 5.322 1.00 1.00 ATOM 67 CA GLU 35 67.331 64.513 8.211 1.00 1.00 ATOM 68 CA GLY 36 64.671 62.257 6.791 1.00 1.00 ATOM 69 CA GLY 37 61.853 62.782 9.365 1.00 1.00 ATOM 70 CA HIS 38 59.187 63.068 6.756 1.00 1.00 ATOM 71 CA SER 39 60.487 60.094 4.765 1.00 1.00 ATOM 72 CA ARG 40 60.939 57.933 7.826 1.00 1.00 ATOM 73 CA ALA 41 57.252 58.279 8.700 1.00 1.00 ATOM 74 CA ILE 42 56.320 57.183 5.208 1.00 1.00 ATOM 75 CA LEU 43 58.939 54.416 4.986 1.00 1.00 ATOM 76 CA GLU 44 57.447 53.018 8.185 1.00 1.00 ATOM 77 CA HIS 45 53.839 53.080 6.910 1.00 1.00 ATOM 78 CA GLY 48 54.841 50.939 4.008 1.00 1.00 ATOM 79 CA CYS 49 55.173 53.423 1.115 1.00 1.00 ATOM 80 CA ARG 50 57.963 53.041 -1.518 1.00 1.00 ATOM 81 CA ILE 51 59.924 56.251 -0.805 1.00 1.00 ATOM 82 CA ILE 52 62.789 58.055 -2.501 1.00 1.00 ATOM 83 CA GLY 53 64.306 60.982 -0.684 1.00 1.00 ATOM 84 CA ILE 54 66.542 63.625 -2.178 1.00 1.00 ATOM 85 CA ASP 55 68.223 66.735 -0.848 1.00 1.00 ATOM 86 CA VAL 56 71.001 69.042 -1.863 1.00 1.00 ATOM 87 CA ASP 57 72.539 69.330 1.510 1.00 1.00 ATOM 88 CA SER 58 75.097 66.689 2.476 1.00 1.00 ATOM 89 CA GLU 59 75.313 67.951 6.059 1.00 1.00 ATOM 90 CA VAL 60 71.629 67.219 6.388 1.00 1.00 ATOM 91 CA LEU 61 71.411 63.963 4.363 1.00 1.00 ATOM 92 CA ARG 62 74.045 62.635 6.704 1.00 1.00 ATOM 93 CA ILE 63 71.348 62.205 9.332 1.00 1.00 ATOM 94 CA ALA 64 68.902 60.314 7.089 1.00 1.00 ATOM 95 CA GLU 65 71.657 58.047 5.794 1.00 1.00 ATOM 96 CA GLU 66 72.747 57.185 9.311 1.00 1.00 ATOM 97 CA LYS 67 69.154 56.274 10.339 1.00 1.00 ATOM 98 CA LEU 68 68.773 54.103 7.278 1.00 1.00 ATOM 99 CA LYS 69 71.857 52.186 8.319 1.00 1.00 ATOM 100 CA GLU 70 70.849 51.668 11.885 1.00 1.00 ATOM 101 CA PHE 71 67.529 50.349 10.786 1.00 1.00 ATOM 102 CA SER 72 68.904 48.494 7.659 1.00 1.00 ATOM 108 CA ASP 73 66.526 48.384 3.395 1.00 1.00 ATOM 109 CA ARG 74 64.366 49.604 0.471 1.00 1.00 ATOM 110 CA VAL 75 64.543 53.364 1.203 1.00 1.00 ATOM 111 CA SER 76 66.422 55.290 -1.509 1.00 1.00 ATOM 112 CA LEU 77 68.185 58.491 -0.334 1.00 1.00 ATOM 113 CA PHE 78 69.993 60.418 -2.986 1.00 1.00 ATOM 114 CA LYS 79 71.679 63.710 -3.650 1.00 1.00 ATOM 115 CA VAL 80 69.658 66.016 -6.020 1.00 1.00 ATOM 116 CA SER 81 68.915 69.694 -6.461 1.00 1.00 ATOM 117 CA TYR 82 65.580 71.231 -7.525 1.00 1.00 ATOM 118 CA ARG 83 67.368 73.111 -10.242 1.00 1.00 ATOM 119 CA GLU 84 68.723 70.046 -11.971 1.00 1.00 ATOM 120 CA ALA 85 66.182 67.643 -10.500 1.00 1.00 ATOM 121 CA ASP 86 65.225 66.125 -13.804 1.00 1.00 ATOM 122 CA PHE 87 68.878 65.244 -14.547 1.00 1.00 ATOM 123 CA LEU 88 69.323 63.748 -11.089 1.00 1.00 ATOM 124 CA LEU 89 66.210 61.626 -10.372 1.00 1.00 ATOM 125 CA LYS 90 64.643 59.076 -12.768 1.00 1.00 ATOM 126 CA THR 91 60.911 59.751 -12.606 1.00 1.00 ATOM 127 CA ILE 94 60.263 57.184 -15.300 1.00 1.00 ATOM 128 CA GLU 95 56.529 57.518 -15.478 1.00 1.00 ATOM 129 CA LYS 96 56.492 59.803 -12.444 1.00 1.00 ATOM 130 CA VAL 97 55.872 59.487 -8.755 1.00 1.00 ATOM 131 CA ASP 98 52.407 59.249 -7.126 1.00 1.00 ATOM 132 CA GLY 99 53.004 62.146 -4.803 1.00 1.00 ATOM 133 CA ILE 100 55.890 64.590 -4.559 1.00 1.00 ATOM 134 CA LEU 101 56.309 66.202 -1.090 1.00 1.00 ATOM 135 CA MET 102 58.237 69.392 -0.193 1.00 1.00 ATOM 136 CA LEU 104 56.998 70.136 3.290 1.00 1.00 ATOM 137 CA GLY 105 58.417 72.052 6.245 1.00 1.00 ATOM 138 CA VAL 106 58.752 75.441 4.491 1.00 1.00 ATOM 139 CA SER 107 61.764 74.225 2.584 1.00 1.00 ATOM 140 CA THR 108 60.968 75.739 -0.788 1.00 1.00 ATOM 141 CA TYR 109 61.451 79.162 0.745 1.00 1.00 ATOM 142 CA GLN 110 65.157 78.364 1.326 1.00 1.00 ATOM 143 CA LEU 111 65.939 79.030 -2.281 1.00 1.00 ATOM 144 CA LYS 112 66.952 82.667 -2.693 1.00 1.00 ATOM 145 CA GLY 113 66.229 84.847 -5.677 1.00 1.00 ATOM 146 CA GLU 114 69.537 85.671 -7.025 1.00 1.00 ATOM 147 CA ASN 115 68.703 87.121 -10.383 1.00 1.00 ATOM 148 CA ARG 217 65.950 89.502 -9.096 1.00 1.00 ATOM 149 CA GLU 218 63.268 87.971 -11.452 1.00 1.00 ATOM 150 CA LEU 219 62.105 84.693 -9.974 1.00 1.00 ATOM 151 CA GLU 220 63.583 82.543 -12.745 1.00 1.00 ATOM 152 CA ASN 221 65.189 80.109 -10.332 1.00 1.00 ATOM 153 CA LEU 222 61.900 79.548 -8.439 1.00 1.00 ATOM 154 CA LYS 223 60.220 78.938 -11.761 1.00 1.00 ATOM 155 CA GLU 224 62.835 76.419 -12.932 1.00 1.00 ATOM 156 CA PHE 225 62.842 74.538 -9.593 1.00 1.00 ATOM 157 CA LEU 226 59.031 74.384 -9.406 1.00 1.00 ATOM 158 CA LYS 227 58.799 73.145 -12.987 1.00 1.00 ATOM 159 CA LYS 228 61.359 70.397 -12.346 1.00 1.00 ATOM 160 CA ALA 229 59.411 69.417 -9.188 1.00 1.00 ATOM 161 CA GLU 230 56.171 69.415 -11.274 1.00 1.00 ATOM 162 CA ASP 231 57.707 67.105 -13.808 1.00 1.00 ATOM 163 CA LEU 232 58.284 64.294 -11.249 1.00 1.00 ATOM 164 CA LEU 233 54.558 64.059 -10.572 1.00 1.00 ATOM 165 CA ASN 234 52.726 61.334 -12.543 1.00 1.00 ATOM 166 CA PRO 235 49.478 62.445 -14.305 1.00 1.00 ATOM 167 CA GLY 236 46.836 62.014 -11.622 1.00 1.00 ATOM 168 CA GLY 237 49.536 62.303 -8.961 1.00 1.00 ATOM 169 CA ARG 238 49.923 64.991 -6.244 1.00 1.00 ATOM 170 CA ILE 239 52.365 67.731 -5.443 1.00 1.00 ATOM 171 CA VAL 240 52.111 68.730 -1.769 1.00 1.00 ATOM 172 CA VAL 241 54.250 71.887 -1.093 1.00 1.00 ATOM 173 CA ILE 242 53.922 74.433 1.647 1.00 1.00 ATOM 174 CA SER 243 55.226 77.847 2.757 1.00 1.00 TER END ################################ # # # END # # # ################################