From mailer@bialko.llnl.gov Tue Jul 16 19:07:08 2002 Date: Tue, 16 Jul 2002 19:07:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:40:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_517562_12207 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151SS389_1 Current information on models submitted in prediction T0151SS389 MODEL_INDEX PIN CODE DATE E-mail T0151SS389_1 PIN_517562_12207 1549-8716-6404 07/16/02 18:40:06 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151SS389_1 PIN_517562_12207 1549-8716-6404 07/16/02 18:40:06 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 T0151 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: 164 # Number of residues with nonzero confidence: 164 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0151 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0151.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0151.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0151.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 T0151.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ METHOD Comments from T0151.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ METHOD Comments from T0151.t2k.str.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ MODEL 1 M C 0.86 A C 0.77 G C 0.74 D C 0.72 T C 0.65 T E 0.77 I E 0.96 T E 0.97 I E 0.96 V E 0.90 G E 0.76 N E 0.61 L C 0.54 T C 0.70 A C 0.81 D C 0.92 P C 0.70 E C 0.52 L E 0.59 R E 0.71 F E 0.81 T C 0.69 P C 0.93 S C 0.96 G C 0.95 A C 0.75 A E 0.79 V E 0.94 A E 0.97 N E 0.98 F E 0.97 T E 0.97 V E 0.95 A E 0.84 S E 0.71 T C 0.56 P C 0.68 R C 0.62 I C 0.57 Y C 0.59 D C 0.73 R C 0.86 Q C 0.89 T C 0.89 G C 0.82 E C 0.52 W E 0.52 K E 0.49 D C 0.45 G C 0.58 E C 0.61 A C 0.49 L E 0.64 F E 0.80 L E 0.87 R E 0.88 C E 0.90 N E 0.90 I E 0.77 W C 0.50 R C 0.57 E H 0.60 A H 0.87 A H 0.93 E H 0.95 N H 0.95 V H 0.94 A H 0.94 E H 0.91 S H 0.85 L H 0.66 T C 0.60 R C 0.83 G C 0.95 A C 0.89 R E 0.65 V E 0.92 I E 0.96 V E 0.96 S E 0.92 G E 0.92 R E 0.92 L E 0.89 K E 0.89 Q E 0.85 R E 0.66 S E 0.73 F E 0.78 E E 0.83 T C 0.57 R C 0.88 E C 0.94 G C 0.90 E C 0.53 K E 0.92 R E 0.91 T E 0.93 V E 0.91 I E 0.94 E E 0.97 V E 0.97 E E 0.97 V E 0.93 D E 0.82 E E 0.77 I E 0.71 G E 0.72 P E 0.56 S C 0.49 L C 0.59 R C 0.63 Y C 0.62 A C 0.65 T C 0.67 A C 0.66 K C 0.69 V C 0.71 N C 0.73 K C 0.73 A C 0.71 S C 0.73 R C 0.71 S C 0.72 G C 0.72 G C 0.72 F C 0.71 G C 0.74 S C 0.75 G C 0.74 S C 0.75 R C 0.74 P C 0.73 A C 0.75 P C 0.73 A C 0.71 Q C 0.71 T C 0.73 S C 0.69 S C 0.68 A C 0.69 S C 0.72 G C 0.74 D C 0.76 D C 0.79 P C 0.77 W C 0.77 G C 0.74 S C 0.75 A C 0.77 P C 0.80 A C 0.80 S C 0.82 G C 0.84 S C 0.78 F C 0.76 G C 0.77 G C 0.75 G C 0.75 D C 0.71 D C 0.78 E C 0.81 P C 0.86 P C 0.91 F C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 17:36:12 2002 Date: Thu, 18 Jul 2002 17:36:06 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:08:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_204291_12367 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS189_1 Current information on models submitted in prediction T0151TS189 MODEL_INDEX PIN CODE DATE E-mail T0151TS189_1 PIN_204291_12367 5035-2079-5263 07/18/02 17:08:19 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS189_1 PIN_204291_12367 5035-2079-5263 07/18/02 17:08:19 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 T0151 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1QVC_A # Loading PARENT structure: 1qvc (chain: A) # Number of residues in PARENT structure: 145 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue K 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue K 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue F 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue S 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue D 143 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 141 # Total number of atoms in model: 141 # Number of atoms with 1.0 occupancy: 141 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 141 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1QVC_A ATOM 3 CA ALA 2 23.726 -14.766 13.602 1.00 1.00 ATOM 4 CA GLY 3 25.570 -11.453 13.616 1.00 1.00 ATOM 5 CA ASP 4 27.225 -9.474 16.405 1.00 1.00 ATOM 6 CA THR 5 25.440 -7.676 19.225 1.00 1.00 ATOM 7 CA THR 6 28.122 -5.917 21.247 1.00 1.00 ATOM 8 CA ILE 7 27.971 -2.849 23.462 1.00 1.00 ATOM 9 CA THR 8 31.023 -1.337 25.170 1.00 1.00 ATOM 10 CA ILE 9 30.413 1.210 27.952 1.00 1.00 ATOM 11 CA VAL 10 32.541 3.349 30.255 1.00 1.00 ATOM 12 CA GLY 11 30.622 5.540 32.697 1.00 1.00 ATOM 13 CA ASN 12 29.531 6.348 36.255 1.00 1.00 ATOM 14 CA LEU 13 26.710 4.706 38.189 1.00 1.00 ATOM 15 CA THR 14 23.837 7.137 38.582 1.00 1.00 ATOM 16 CA ALA 15 22.744 5.376 41.745 1.00 1.00 ATOM 17 CA ASP 16 23.261 2.330 43.951 1.00 1.00 ATOM 18 CA PRO 17 22.989 -1.113 42.269 1.00 1.00 ATOM 19 CA GLU 18 19.314 -1.990 42.713 1.00 1.00 ATOM 20 CA LEU 19 19.916 -5.720 43.157 1.00 1.00 ATOM 21 CA ARG 20 17.233 -8.355 43.632 1.00 1.00 ATOM 22 CA PHE 21 17.199 -12.149 43.793 1.00 1.00 ATOM 23 CA THR 22 14.466 -14.501 42.590 1.00 1.00 ATOM 24 CA PRO 23 13.504 -18.227 42.715 1.00 1.00 ATOM 25 CA SER 24 13.899 -19.401 39.111 1.00 1.00 ATOM 26 CA GLY 25 16.397 -16.867 37.792 1.00 1.00 ATOM 27 CA ALA 26 19.574 -16.525 39.825 1.00 1.00 ATOM 28 CA ALA 27 20.863 -13.085 40.758 1.00 1.00 ATOM 29 CA VAL 28 19.656 -10.038 38.836 1.00 1.00 ATOM 30 CA ALA 29 20.703 -6.399 39.178 1.00 1.00 ATOM 31 CA ASN 30 19.633 -3.192 37.422 1.00 1.00 ATOM 32 CA PHE 31 22.028 -0.256 37.247 1.00 1.00 ATOM 33 CA THR 32 22.096 3.128 35.519 1.00 1.00 ATOM 34 CA VAL 33 25.063 4.444 33.596 1.00 1.00 ATOM 35 CA ALA 34 25.921 7.866 32.263 1.00 1.00 ATOM 36 CA SER 35 28.167 8.977 29.414 1.00 1.00 ATOM 37 CA THR 36 28.531 12.433 27.904 1.00 1.00 ATOM 38 CA PRO 37 29.787 14.489 24.977 1.00 1.00 ATOM 39 CA ARG 38 30.285 18.259 24.604 1.00 1.00 ATOM 40 CA ILE 39 31.136 20.353 21.546 1.00 1.00 ATOM 41 CA TYR 40 33.480 23.356 21.680 1.00 1.00 ATOM 42 CA ASP 41 30.832 25.434 19.885 1.00 1.00 ATOM 43 CA ARG 42 28.895 28.343 21.398 1.00 1.00 ATOM 44 CA GLN 43 25.433 29.909 21.222 1.00 1.00 ATOM 45 CA THR 44 25.285 32.739 23.757 1.00 1.00 ATOM 46 CA GLY 45 28.546 32.047 25.563 1.00 1.00 ATOM 47 CA GLU 46 29.478 28.560 26.732 1.00 1.00 ATOM 48 CA TRP 47 29.123 25.151 25.093 1.00 1.00 ATOM 49 CA LYS 48 26.548 22.397 25.625 1.00 1.00 ATOM 50 CA ASP 49 26.100 19.020 27.326 1.00 1.00 ATOM 51 CA GLU 51 24.114 15.904 26.428 1.00 1.00 ATOM 52 CA ALA 52 24.477 12.932 28.744 1.00 1.00 ATOM 53 CA LEU 53 23.030 9.518 27.954 1.00 1.00 ATOM 54 CA PHE 54 21.736 7.245 30.663 1.00 1.00 ATOM 55 CA LEU 55 21.969 3.537 29.896 1.00 1.00 ATOM 56 CA ARG 56 19.928 0.795 31.512 1.00 1.00 ATOM 57 CA CYS 57 22.336 -2.015 32.259 1.00 1.00 ATOM 58 CA ASN 58 21.316 -5.430 33.512 1.00 1.00 ATOM 59 CA ILE 59 23.739 -7.771 35.283 1.00 1.00 ATOM 60 CA TRP 60 23.179 -11.481 35.976 1.00 1.00 ATOM 61 CA ARG 61 24.972 -14.167 37.989 1.00 1.00 ATOM 62 CA GLU 62 27.966 -13.424 40.205 1.00 1.00 ATOM 63 CA ALA 63 28.239 -10.074 38.458 1.00 1.00 ATOM 64 CA ALA 64 25.008 -8.767 40.018 1.00 1.00 ATOM 65 CA GLU 65 26.177 -9.870 43.470 1.00 1.00 ATOM 66 CA ASN 66 29.533 -8.183 43.038 1.00 1.00 ATOM 67 CA VAL 67 27.774 -5.028 41.880 1.00 1.00 ATOM 68 CA ALA 68 25.666 -4.988 45.028 1.00 1.00 ATOM 69 CA GLU 69 28.510 -5.621 47.456 1.00 1.00 ATOM 70 CA SER 70 31.190 -3.451 45.856 1.00 1.00 ATOM 71 CA LEU 71 29.618 -1.102 43.297 1.00 1.00 ATOM 72 CA THR 72 28.706 2.403 44.432 1.00 1.00 ATOM 73 CA ARG 73 26.991 5.436 42.983 1.00 1.00 ATOM 74 CA GLY 74 29.665 7.371 41.119 1.00 1.00 ATOM 75 CA ALA 75 31.894 4.349 40.592 1.00 1.00 ATOM 76 CA ARG 76 33.461 4.264 37.144 1.00 1.00 ATOM 77 CA VAL 77 33.108 0.960 35.355 1.00 1.00 ATOM 78 CA ILE 78 33.764 -0.687 32.006 1.00 1.00 ATOM 79 CA VAL 79 30.923 -2.780 30.592 1.00 1.00 ATOM 80 CA SER 80 30.551 -5.220 27.755 1.00 1.00 ATOM 81 CA GLY 81 27.133 -6.625 27.017 1.00 1.00 ATOM 82 CA ARG 82 24.491 -7.028 24.356 1.00 1.00 ATOM 83 CA LEU 83 21.434 -4.908 23.484 1.00 1.00 ATOM 84 CA LYS 84 18.076 -6.350 24.463 1.00 1.00 ATOM 85 CA GLN 85 14.695 -4.753 23.875 1.00 1.00 ATOM 86 CA ARG 86 12.082 -6.206 26.211 1.00 1.00 ATOM 87 CA SER 87 8.352 -5.645 25.810 1.00 1.00 ATOM 88 CA PHE 88 6.079 -5.258 28.830 1.00 1.00 ATOM 89 CA GLU 89 3.115 -3.472 30.379 1.00 1.00 ATOM 90 CA THR 90 2.208 -2.163 33.839 1.00 1.00 ATOM 91 CA ARG 91 -0.947 -0.325 32.793 1.00 1.00 ATOM 92 CA GLU 92 -1.684 -1.198 29.158 1.00 1.00 ATOM 93 CA GLY 93 -0.744 -0.063 25.658 1.00 1.00 ATOM 94 CA GLU 94 2.443 -2.146 25.879 1.00 1.00 ATOM 95 CA LYS 95 5.896 -0.662 26.604 1.00 1.00 ATOM 96 CA ARG 96 9.230 -1.475 24.939 1.00 1.00 ATOM 97 CA THR 97 12.491 -0.987 26.863 1.00 1.00 ATOM 98 CA VAL 98 15.951 -1.205 25.346 1.00 1.00 ATOM 99 CA ILE 99 18.701 -2.266 27.713 1.00 1.00 ATOM 100 CA GLU 100 22.318 -3.285 27.980 1.00 1.00 ATOM 101 CA VAL 101 22.430 -6.909 29.146 1.00 1.00 ATOM 102 CA GLU 102 25.613 -8.116 30.795 1.00 1.00 ATOM 103 CA VAL 103 26.134 -11.871 30.909 1.00 1.00 ATOM 104 CA ASP 104 28.345 -14.798 29.803 1.00 1.00 ATOM 105 CA GLU 105 30.600 -13.279 27.138 1.00 1.00 ATOM 106 CA ILE 106 29.912 -9.924 28.748 1.00 1.00 ATOM 107 CA GLY 107 32.079 -8.400 31.421 1.00 1.00 ATOM 108 CA PRO 108 32.257 -5.628 33.980 1.00 1.00 ATOM 109 CA SER 109 35.392 -4.063 35.414 1.00 1.00 ATOM 110 CA LEU 110 35.858 -1.474 38.158 1.00 1.00 ATOM 111 CA ARG 111 37.795 1.544 36.881 1.00 1.00 ATOM 112 CA TYR 112 39.027 4.426 39.072 1.00 1.00 ATOM 113 CA ALA 113 42.438 4.658 40.729 1.00 1.00 ATOM 114 CA THR 114 44.825 7.428 41.737 1.00 1.00 ATOM 115 CA ALA 115 48.133 8.231 40.047 1.00 1.00 ATOM 116 CA LYS 116 51.680 6.952 39.522 1.00 1.00 ATOM 117 CA VAL 117 52.399 5.451 42.927 1.00 1.00 ATOM 118 CA ASN 118 56.148 5.867 43.231 1.00 1.00 ATOM 119 CA LYS 119 58.200 2.822 44.142 1.00 1.00 ATOM 120 CA ALA 120 59.836 4.133 47.304 1.00 1.00 ATOM 121 CA SER 121 59.291 7.928 47.520 1.00 1.00 ATOM 122 CA ARG 122 58.976 7.800 51.310 1.00 1.00 ATOM 123 CA SER 123 57.598 4.525 52.635 1.00 1.00 ATOM 124 CA GLY 124 60.517 2.146 53.007 1.00 1.00 ATOM 125 CA GLY 125 61.560 -0.974 51.111 1.00 1.00 ATOM 126 CA PHE 126 62.731 -4.367 52.399 1.00 1.00 ATOM 127 CA GLY 127 62.692 -7.789 50.747 1.00 1.00 ATOM 128 CA SER 128 65.791 -9.196 49.079 1.00 1.00 ATOM 129 CA GLY 129 68.544 -7.470 47.138 1.00 1.00 ATOM 130 CA SER 130 68.399 -6.512 43.469 1.00 1.00 ATOM 131 CA ARG 131 71.335 -8.207 41.680 1.00 1.00 ATOM 132 CA PRO 132 70.155 -11.788 42.240 1.00 1.00 ATOM 133 CA ALA 133 67.119 -12.406 40.041 1.00 1.00 ATOM 134 CA PRO 134 67.007 -9.597 37.499 1.00 1.00 ATOM 135 CA ALA 135 65.602 -9.401 33.965 1.00 1.00 ATOM 136 CA GLN 136 64.633 -12.470 31.943 1.00 1.00 ATOM 137 CA THR 137 65.553 -16.124 32.451 1.00 1.00 ATOM 138 CA SER 138 68.926 -15.838 30.646 1.00 1.00 ATOM 139 CA SER 139 71.862 -13.959 32.154 1.00 1.00 ATOM 140 CA ALA 140 73.046 -11.136 29.867 1.00 1.00 ATOM 141 CA SER 141 74.926 -8.148 31.383 1.00 1.00 ATOM 142 CA GLY 142 73.437 -8.038 34.883 1.00 1.00 ATOM 143 CA ASP 143 74.755 -8.224 38.438 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:02:22 2002 Date: Thu, 18 Jul 2002 18:02:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:35:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_471020_12479 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS189_2 Current information on models submitted in prediction T0151TS189 MODEL_INDEX PIN CODE DATE E-mail T0151TS189_2 PIN_471020_12479 5035-2079-5263 07/18/02 17:35:18 casp5@bialko.llnl.gov T0151TS189_1 PIN_204291_12367 5035-2079-5263 07/18/02 17:08:19 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS189_1 PIN_204291_12367 5035-2079-5263 07/18/02 17:08:19 casp5@bialko.llnl.gov T0151TS189_2 PIN_471020_12479 5035-2079-5263 07/18/02 17:35:18 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 T0151 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JE5_A # Loading PARENT structure: 1je5 (chain: A) # Number of residues in PARENT structure: 181 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue F 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 92 # Total number of atoms in model: 92 # Number of atoms with 1.0 occupancy: 92 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 92 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JE5_A ATOM 94 CA LEU 19 19.421 -4.436 2.492 1.00 1.00 ATOM 95 CA ARG 20 21.253 -4.800 5.856 1.00 1.00 ATOM 96 CA PHE 21 24.450 -3.488 4.218 1.00 1.00 ATOM 97 CA THR 22 25.437 -0.378 2.351 1.00 1.00 ATOM 98 CA PRO 23 28.395 0.713 0.241 1.00 1.00 ATOM 99 CA SER 24 29.791 3.849 1.861 1.00 1.00 ATOM 100 CA GLY 25 31.092 5.299 -1.401 1.00 1.00 ATOM 101 CA ALA 26 34.639 5.210 -0.038 1.00 1.00 ATOM 102 CA ALA 27 35.670 1.670 -0.905 1.00 1.00 ATOM 103 CA VAL 28 34.064 0.141 2.186 1.00 1.00 ATOM 104 CA ALA 29 30.709 -1.457 2.935 1.00 1.00 ATOM 105 CA ASN 30 29.017 -1.444 6.325 1.00 1.00 ATOM 106 CA PHE 31 27.046 -4.494 7.439 1.00 1.00 ATOM 107 CA THR 32 24.490 -4.281 10.253 1.00 1.00 ATOM 108 CA VAL 33 24.424 -7.214 12.647 1.00 1.00 ATOM 109 CA ALA 34 22.047 -7.614 15.571 1.00 1.00 ATOM 110 CA SER 35 20.318 -10.191 17.740 1.00 1.00 ATOM 111 CA THR 36 18.046 -10.140 20.765 1.00 1.00 ATOM 112 CA PRO 37 19.545 -10.544 24.245 1.00 1.00 ATOM 113 CA ARG 38 16.755 -12.821 25.424 1.00 1.00 ATOM 114 CA ILE 39 14.430 -15.441 24.038 1.00 1.00 ATOM 115 CA TYR 40 11.599 -17.699 25.130 1.00 1.00 ATOM 116 CA ASP 41 12.691 -21.323 25.074 1.00 1.00 ATOM 117 CA ARG 42 10.751 -23.555 22.683 1.00 1.00 ATOM 118 CA GLN 43 10.808 -26.719 24.786 1.00 1.00 ATOM 119 CA THR 44 10.338 -25.139 28.199 1.00 1.00 ATOM 120 CA GLY 45 8.789 -21.699 27.571 1.00 1.00 ATOM 121 CA GLU 46 11.279 -20.115 30.006 1.00 1.00 ATOM 122 CA TRP 47 12.480 -16.616 29.077 1.00 1.00 ATOM 123 CA LEU 53 16.271 -16.750 29.177 1.00 1.00 ATOM 124 CA PHE 54 19.039 -14.223 28.723 1.00 1.00 ATOM 125 CA LEU 55 21.609 -14.788 25.969 1.00 1.00 ATOM 126 CA ARG 56 25.275 -14.090 26.594 1.00 1.00 ATOM 127 CA CYS 57 27.028 -13.308 23.326 1.00 1.00 ATOM 128 CA ASN 58 30.232 -15.354 22.889 1.00 1.00 ATOM 129 CA ILE 59 33.297 -13.233 22.092 1.00 1.00 ATOM 130 CA TRP 60 36.576 -14.900 21.113 1.00 1.00 ATOM 131 CA ARG 61 40.092 -13.400 20.750 1.00 1.00 ATOM 135 CA GLU 62 40.134 -18.206 22.815 1.00 1.00 ATOM 136 CA ALA 63 36.780 -17.487 24.447 1.00 1.00 ATOM 137 CA ALA 64 37.058 -14.248 26.425 1.00 1.00 ATOM 138 CA GLU 65 35.411 -14.673 29.802 1.00 1.00 ATOM 142 CA SER 70 33.772 -2.869 25.845 1.00 1.00 ATOM 143 CA LEU 71 34.377 -2.870 22.066 1.00 1.00 ATOM 144 CA THR 72 34.939 0.679 20.895 1.00 1.00 ATOM 145 CA ARG 73 34.796 2.202 17.447 1.00 1.00 ATOM 146 CA GLY 74 37.850 1.387 15.401 1.00 1.00 ATOM 147 CA ALA 75 38.143 -2.129 16.850 1.00 1.00 ATOM 148 CA ARG 76 38.968 -4.862 14.354 1.00 1.00 ATOM 149 CA VAL 77 36.515 -7.776 14.400 1.00 1.00 ATOM 150 CA ILE 78 35.026 -10.673 12.503 1.00 1.00 ATOM 151 CA VAL 79 31.507 -11.790 13.192 1.00 1.00 ATOM 152 CA SER 80 29.497 -14.975 12.785 1.00 1.00 ATOM 153 CA GLY 81 25.881 -14.644 11.730 1.00 1.00 ATOM 154 CA ARG 82 22.865 -16.353 10.220 1.00 1.00 ATOM 155 CA LEU 83 20.559 -14.921 7.540 1.00 1.00 ATOM 156 CA LYS 84 16.935 -14.335 8.447 1.00 1.00 ATOM 157 CA GLN 85 14.766 -13.268 5.532 1.00 1.00 ATOM 158 CA ARG 86 11.428 -11.655 6.163 1.00 1.00 ATOM 159 CA SER 87 8.420 -10.674 4.121 1.00 1.00 ATOM 160 CA PHE 88 7.259 -7.120 3.535 1.00 1.00 ATOM 161 CA GLU 89 4.715 -5.740 6.022 1.00 1.00 ATOM 162 CA THR 90 3.051 -2.414 6.890 1.00 1.00 ATOM 163 CA ARG 91 6.236 -1.205 8.488 1.00 1.00 ATOM 164 CA GLU 92 9.003 -2.283 6.225 1.00 1.00 ATOM 165 CA GLY 93 9.675 -3.923 2.824 1.00 1.00 ATOM 166 CA GLU 94 11.019 -7.458 2.364 1.00 1.00 ATOM 167 CA VAL 98 14.652 -7.859 3.341 1.00 1.00 ATOM 168 CA ILE 99 17.114 -9.953 5.378 1.00 1.00 ATOM 169 CA GLU 100 18.272 -9.665 9.015 1.00 1.00 ATOM 170 CA VAL 101 21.949 -10.472 9.687 1.00 1.00 ATOM 171 CA GLU 102 21.441 -12.275 12.973 1.00 1.00 ATOM 172 CA VAL 103 24.523 -11.882 15.129 1.00 1.00 ATOM 173 CA ASP 104 25.772 -15.247 16.431 1.00 1.00 ATOM 174 CA GLU 105 29.206 -14.548 17.919 1.00 1.00 ATOM 175 CA ILE 106 32.188 -12.215 17.612 1.00 1.00 ATOM 176 CA GLY 107 35.952 -12.487 17.289 1.00 1.00 ATOM 177 CA PRO 108 37.794 -9.502 18.699 1.00 1.00 ATOM 178 CA SER 109 40.932 -9.259 16.562 1.00 1.00 ATOM 179 CA LEU 110 42.158 -5.871 17.792 1.00 1.00 ATOM 180 CA ARG 111 40.637 -3.616 20.473 1.00 1.00 ATOM 181 CA TYR 112 40.690 0.139 19.814 1.00 1.00 ATOM 182 CA ALA 113 41.819 2.573 22.528 1.00 1.00 ATOM 189 CA ALA 120 34.805 13.175 24.720 1.00 1.00 ATOM 190 CA SER 121 31.978 15.637 25.521 1.00 1.00 ATOM 191 CA ARG 122 28.956 13.296 25.840 1.00 1.00 ATOM 192 CA SER 123 29.210 13.457 29.672 1.00 1.00 ATOM 193 CA GLY 124 29.397 17.226 29.988 1.00 1.00 ATOM 194 CA GLY 125 26.465 18.356 27.881 1.00 1.00 ATOM 195 CA PHE 126 24.856 21.837 27.967 1.00 1.00 ATOM 196 CA GLY 127 25.052 23.872 31.219 1.00 1.00 ATOM 197 CA SER 128 26.452 23.922 34.777 1.00 1.00 TER END ################################ # # # END # # # ################################