From mailer@bialko.llnl.gov Tue Jul 16 19:07:18 2002 Date: Tue, 16 Jul 2002 19:07:13 -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 18:40:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_519274_12208 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152SS389_1 Current information on models submitted in prediction T0152SS389 MODEL_INDEX PIN CODE DATE E-mail T0152SS389_1 PIN_519274_12208 1549-8716-6404 07/16/02 18:40:19 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152SS389_1 PIN_519274_12208 1549-8716-6404 07/16/02 18:40:19 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 SS PFRMAT SS TARGET T0152 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: 210 # Number of residues with nonzero confidence: 210 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0152 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0152.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0152.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0152.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 T0152.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0152 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 T0152.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 28 METHOD METHOD ============================================ METHOD Comments from T0152.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0152 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 T0152.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 28 METHOD METHOD ============================================ METHOD Comments from T0152.t2k.str.rdb METHOD ============================================ METHOD TARGET T0152 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 T0152.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 28 METHOD METHOD ============================================ MODEL 1 M C 0.97 T C 0.82 K C 0.79 P C 0.76 T C 0.75 S C 0.74 A C 0.79 G C 0.74 Q C 0.66 A C 0.50 D H 0.56 D H 0.55 A H 0.58 L H 0.56 V H 0.60 R H 0.49 L C 0.52 A C 0.56 R C 0.55 E C 0.72 R C 0.84 F C 0.86 D C 0.89 L C 0.94 P C 0.92 D C 0.90 Q C 0.84 V C 0.75 R C 0.67 R C 0.63 L C 0.63 A C 0.74 R C 0.80 P C 0.82 P C 0.77 V C 0.83 P C 0.73 S C 0.72 L C 0.72 E C 0.83 P C 0.86 P C 0.68 Y E 0.72 G E 0.84 L E 0.88 R E 0.80 V E 0.73 A C 0.63 Q C 0.83 L H 0.63 T H 0.69 D H 0.74 A H 0.92 E H 0.94 M H 0.95 L H 0.97 A H 0.96 E H 0.93 W H 0.89 M H 0.74 N H 0.55 R C 0.75 P H 0.65 H H 0.67 L H 0.83 A H 0.86 A H 0.86 A H 0.81 W H 0.69 E H 0.50 Y C 0.66 D C 0.79 W C 0.87 P C 0.84 A H 0.82 S H 0.90 R H 0.93 W H 0.94 R H 0.94 Q H 0.94 H H 0.94 L H 0.95 N H 0.94 A H 0.93 Q H 0.90 L H 0.74 E C 0.59 G C 0.91 T C 0.92 Y C 0.89 S C 0.78 L C 0.55 P E 0.70 L E 0.89 I E 0.95 G E 0.96 S E 0.94 W E 0.84 H C 0.91 G C 0.94 T E 0.54 D E 0.80 G E 0.85 G E 0.94 Y E 0.94 L E 0.95 E E 0.95 L E 0.92 Y E 0.80 W E 0.55 A C 0.58 A C 0.62 K C 0.62 D C 0.74 L C 0.70 I C 0.66 S C 0.64 H C 0.65 Y C 0.62 Y C 0.68 D C 0.74 A C 0.85 D C 0.92 P C 0.92 Y C 0.91 D C 0.81 L C 0.50 G E 0.71 L E 0.81 H E 0.82 A E 0.84 A E 0.83 I E 0.71 A C 0.51 D C 0.79 L C 0.52 S H 0.54 K H 0.52 V C 0.74 N C 0.84 R C 0.70 G C 0.59 F H 0.63 G H 0.83 P H 0.95 L H 0.96 L H 0.97 L H 0.97 P H 0.97 R H 0.97 I H 0.97 V H 0.97 A H 0.96 S H 0.95 V H 0.92 F H 0.78 A C 0.59 N C 0.85 E C 0.95 P C 0.85 R C 0.80 C C 0.62 R E 0.59 R E 0.88 I E 0.92 M E 0.88 F E 0.72 D C 0.68 P C 0.86 D C 0.90 H C 0.67 R C 0.58 N H 0.66 T H 0.91 A H 0.95 T H 0.96 R H 0.96 R H 0.96 L H 0.94 C H 0.90 E H 0.84 W H 0.68 A C 0.60 G C 0.94 C C 0.81 K C 0.50 F E 0.52 L C 0.46 G C 0.47 E E 0.53 H E 0.55 D C 0.54 T C 0.81 T C 0.90 N C 0.92 R C 0.78 R C 0.56 M E 0.58 A E 0.75 L E 0.83 Y E 0.80 A E 0.79 L E 0.62 E C 0.48 A C 0.50 P C 0.45 T H 0.44 T C 0.56 A C 0.72 A C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:22:41 2002 Date: Thu, 18 Jul 2002 18:22:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 17:55:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_674588_12566 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS189_2 Current information on models submitted in prediction T0152TS189 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 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 T0152 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1I21_A # Loading PARENT structure: 1i21 (chain: A) # Number of residues in PARENT structure: 150 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 38 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue M 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue M 60 # IMPORTANT NOTE! Not complete main chain atoms for residue N 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue W 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue H 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue T 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue G 96 # IMPORTANT NOTE! Not complete main chain atoms for residue S 97 # IMPORTANT NOTE! Not complete main chain atoms for residue W 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue W 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue H 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue P 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0152 # Total number of residues in target: 210 # 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 T0152 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1I21_A ATOM 2 CA SER 38 58.112 73.557 34.992 1.00 1.00 ATOM 3 CA LEU 39 58.353 75.266 38.371 1.00 1.00 ATOM 4 CA GLU 40 60.533 77.912 39.856 1.00 1.00 ATOM 5 CA PRO 41 64.223 77.939 40.855 1.00 1.00 ATOM 6 CA PRO 42 65.065 75.028 38.599 1.00 1.00 ATOM 7 CA TYR 43 62.597 72.342 39.738 1.00 1.00 ATOM 8 CA GLY 44 59.804 70.756 37.735 1.00 1.00 ATOM 9 CA LEU 45 56.951 68.322 38.322 1.00 1.00 ATOM 10 CA ARG 46 55.892 65.267 36.311 1.00 1.00 ATOM 11 CA VAL 47 54.206 61.874 36.806 1.00 1.00 ATOM 13 CA GLN 49 58.104 56.731 36.358 1.00 1.00 ATOM 14 CA LEU 50 59.455 53.204 36.702 1.00 1.00 ATOM 15 CA THR 51 62.977 54.533 37.037 1.00 1.00 ATOM 16 CA ASP 52 62.010 56.619 40.125 1.00 1.00 ATOM 17 CA ALA 53 62.075 53.574 42.486 1.00 1.00 ATOM 18 CA GLU 54 65.262 54.333 44.454 1.00 1.00 ATOM 19 CA MET 55 64.658 58.021 44.950 1.00 1.00 ATOM 20 CA LEU 56 60.946 57.764 45.669 1.00 1.00 ATOM 21 CA ALA 57 61.345 55.003 48.232 1.00 1.00 ATOM 22 CA GLU 58 64.041 57.139 49.727 1.00 1.00 ATOM 23 CA TRP 59 61.872 60.266 50.073 1.00 1.00 ATOM 24 CA MET 60 58.787 58.254 51.192 1.00 1.00 ATOM 25 CA ASN 61 60.853 56.928 54.095 1.00 1.00 ATOM 26 CA ARG 62 60.382 60.361 55.639 1.00 1.00 ATOM 27 CA ALA 67 56.704 59.495 55.868 1.00 1.00 ATOM 28 CA ALA 68 56.900 55.926 57.080 1.00 1.00 ATOM 29 CA TRP 69 58.164 52.419 56.352 1.00 1.00 ATOM 30 CA GLU 70 58.497 51.580 52.674 1.00 1.00 ATOM 31 CA TYR 71 60.132 48.168 52.767 1.00 1.00 ATOM 32 CA ASP 72 61.587 45.941 50.068 1.00 1.00 ATOM 33 CA TRP 73 60.267 46.609 46.582 1.00 1.00 ATOM 34 CA PRO 74 61.698 44.945 43.536 1.00 1.00 ATOM 35 CA ALA 75 62.150 46.797 40.230 1.00 1.00 ATOM 36 CA SER 76 59.675 44.341 38.744 1.00 1.00 ATOM 37 CA ARG 77 56.926 44.814 41.293 1.00 1.00 ATOM 38 CA TRP 78 57.382 48.587 40.844 1.00 1.00 ATOM 39 CA ARG 79 57.062 48.522 37.017 1.00 1.00 ATOM 40 CA GLN 80 53.826 46.570 37.381 1.00 1.00 ATOM 41 CA HIS 81 52.729 49.077 40.020 1.00 1.00 ATOM 42 CA LEU 82 53.625 51.961 37.693 1.00 1.00 ATOM 43 CA ASN 83 51.911 50.353 34.711 1.00 1.00 ATOM 44 CA ALA 84 48.750 49.895 36.779 1.00 1.00 ATOM 45 CA GLN 85 48.919 53.539 37.848 1.00 1.00 ATOM 46 CA LEU 86 49.386 54.569 34.215 1.00 1.00 ATOM 47 CA GLU 87 46.511 52.557 32.850 1.00 1.00 ATOM 48 CA GLY 88 43.857 52.912 35.651 1.00 1.00 ATOM 61 CA THR 89 42.628 57.308 39.131 1.00 1.00 ATOM 62 CA TYR 90 46.180 57.735 40.373 1.00 1.00 ATOM 63 CA SER 91 48.179 60.857 39.835 1.00 1.00 ATOM 64 CA LEU 92 51.592 60.200 41.483 1.00 1.00 ATOM 66 CA LEU 94 57.389 63.840 41.904 1.00 1.00 ATOM 67 CA ILE 95 58.845 67.323 42.059 1.00 1.00 ATOM 68 CA GLY 96 62.378 67.067 40.629 1.00 1.00 ATOM 69 CA SER 97 65.466 69.192 41.038 1.00 1.00 ATOM 70 CA TRP 98 66.385 69.838 37.402 1.00 1.00 ATOM 71 CA HIS 99 70.020 70.373 38.464 1.00 1.00 ATOM 72 CA GLY 100 70.783 66.717 39.053 1.00 1.00 ATOM 73 CA THR 101 67.440 65.132 38.233 1.00 1.00 ATOM 74 CA ASP 102 66.915 64.279 41.947 1.00 1.00 ATOM 75 CA GLY 103 63.472 63.740 43.426 1.00 1.00 ATOM 76 CA GLY 104 62.800 66.535 45.869 1.00 1.00 ATOM 77 CA TYR 105 59.240 65.464 46.808 1.00 1.00 ATOM 78 CA LEU 106 56.327 63.206 45.934 1.00 1.00 ATOM 79 CA GLU 107 52.604 63.337 46.489 1.00 1.00 ATOM 80 CA LEU 108 49.579 61.540 44.937 1.00 1.00 ATOM 81 CA TYR 109 45.952 62.407 44.340 1.00 1.00 ATOM 82 CA TRP 110 43.518 59.609 43.828 1.00 1.00 ATOM 83 CA ALA 111 40.278 60.207 41.980 1.00 1.00 ATOM 84 CA ALA 112 36.995 58.551 43.036 1.00 1.00 ATOM 85 CA LYS 113 33.648 58.686 41.289 1.00 1.00 ATOM 86 CA ASP 114 30.621 58.824 43.615 1.00 1.00 ATOM 87 CA LEU 115 26.850 58.903 43.232 1.00 1.00 ATOM 88 CA ILE 116 26.195 61.983 45.348 1.00 1.00 ATOM 89 CA SER 117 26.688 65.377 43.759 1.00 1.00 ATOM 90 CA HIS 118 25.328 64.209 40.420 1.00 1.00 ATOM 91 CA TYR 119 27.781 61.352 40.076 1.00 1.00 ATOM 92 CA TYR 120 30.523 63.626 41.279 1.00 1.00 ATOM 93 CA ASP 121 34.287 63.222 41.521 1.00 1.00 ATOM 96 CA ASP 123 41.979 62.254 47.743 1.00 1.00 ATOM 97 CA PRO 124 45.457 63.623 48.371 1.00 1.00 ATOM 98 CA TYR 125 47.712 60.850 49.748 1.00 1.00 ATOM 99 CA ASP 126 51.362 60.176 50.681 1.00 1.00 ATOM 100 CA LEU 127 52.855 63.619 50.834 1.00 1.00 ATOM 101 CA GLY 128 56.567 63.646 51.394 1.00 1.00 ATOM 102 CA LEU 129 59.160 66.326 50.966 1.00 1.00 ATOM 103 CA ASP 135 62.675 64.886 50.738 1.00 1.00 ATOM 104 CA LEU 136 64.928 65.647 53.689 1.00 1.00 ATOM 105 CA SER 137 67.541 67.697 51.833 1.00 1.00 ATOM 106 CA LYS 138 64.770 69.740 50.277 1.00 1.00 ATOM 107 CA VAL 139 62.792 70.735 53.286 1.00 1.00 ATOM 108 CA ASN 140 61.977 74.316 53.953 1.00 1.00 ATOM 109 CA ARG 141 62.198 75.434 50.300 1.00 1.00 ATOM 110 CA GLY 142 58.458 75.765 49.776 1.00 1.00 ATOM 111 CA PHE 143 58.127 72.621 47.708 1.00 1.00 ATOM 112 CA GLY 144 55.461 71.075 49.924 1.00 1.00 ATOM 113 CA PRO 145 53.055 73.888 49.227 1.00 1.00 ATOM 114 CA LEU 146 53.872 73.827 45.492 1.00 1.00 ATOM 115 CA LEU 147 53.195 70.073 45.421 1.00 1.00 ATOM 116 CA LEU 148 49.807 70.388 47.104 1.00 1.00 ATOM 117 CA PRO 149 48.881 73.284 44.824 1.00 1.00 ATOM 118 CA ARG 150 49.630 71.136 41.832 1.00 1.00 ATOM 119 CA ILE 151 47.643 68.131 43.141 1.00 1.00 ATOM 120 CA VAL 152 44.639 70.386 43.798 1.00 1.00 ATOM 121 CA ALA 153 44.961 71.924 40.345 1.00 1.00 ATOM 122 CA SER 154 44.981 68.485 38.849 1.00 1.00 ATOM 123 CA VAL 155 41.973 67.428 40.889 1.00 1.00 ATOM 124 CA PHE 156 39.854 70.446 40.066 1.00 1.00 ATOM 125 CA GLU 159 40.644 70.347 36.355 1.00 1.00 ATOM 126 CA PRO 160 39.280 66.811 36.311 1.00 1.00 ATOM 127 CA ARG 161 36.086 68.182 37.824 1.00 1.00 ATOM 128 CA CYS 162 36.301 67.208 41.507 1.00 1.00 ATOM 129 CA ARG 163 33.674 69.042 43.526 1.00 1.00 ATOM 130 CA ARG 164 36.084 68.615 46.448 1.00 1.00 ATOM 131 CA ILE 165 39.467 67.317 47.439 1.00 1.00 ATOM 132 CA MET 166 40.199 65.859 50.828 1.00 1.00 ATOM 133 CA PHE 167 43.206 64.614 52.735 1.00 1.00 ATOM 134 CA ASP 168 44.049 63.572 56.269 1.00 1.00 ATOM 135 CA PRO 169 46.645 65.072 58.563 1.00 1.00 ATOM 136 CA ASP 170 47.997 65.444 62.034 1.00 1.00 ATOM 137 CA HIS 171 46.999 68.419 64.114 1.00 1.00 ATOM 138 CA ARG 172 50.499 69.791 63.935 1.00 1.00 ATOM 139 CA ASN 173 49.983 70.179 60.178 1.00 1.00 ATOM 140 CA THR 174 46.524 71.746 60.146 1.00 1.00 ATOM 141 CA ALA 175 48.157 75.165 59.864 1.00 1.00 ATOM 142 CA LEU 179 50.189 74.228 56.806 1.00 1.00 ATOM 143 CA CYS 180 47.208 72.834 54.906 1.00 1.00 ATOM 144 CA GLU 181 45.239 75.902 55.910 1.00 1.00 ATOM 145 CA TRP 182 47.939 77.895 54.059 1.00 1.00 ATOM 146 CA ALA 183 47.353 75.674 51.000 1.00 1.00 ATOM 147 CA GLY 184 43.685 76.685 51.194 1.00 1.00 ATOM 148 CA CYS 185 42.289 73.689 52.983 1.00 1.00 ATOM 149 CA LYS 186 39.667 73.847 55.774 1.00 1.00 ATOM 150 CA PHE 187 38.921 71.686 58.762 1.00 1.00 ATOM 151 CA LEU 188 36.217 69.244 57.773 1.00 1.00 ATOM 152 CA GLY 189 36.039 66.316 60.135 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:34:32 2002 Date: Thu, 18 Jul 2002 18:34:27 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 18:06:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_185842_12617 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS189_3 Current information on models submitted in prediction T0152TS189 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_3 PIN_185842_12617 5035-2079-5263 07/18/02 18:06:32 casp5@bialko.llnl.gov T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 casp5@bialko.llnl.gov T0152TS189_3 PIN_185842_12617 5035-2079-5263 07/18/02 18:06:32 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 T0152 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1QSM_A # Loading PARENT structure: 1qsm (chain: A) # Number of residues in PARENT structure: 150 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue M 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue M 60 # IMPORTANT NOTE! Not complete main chain atoms for residue N 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue W 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue H 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue T 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue G 96 # IMPORTANT NOTE! Not complete main chain atoms for residue S 97 # IMPORTANT NOTE! Not complete main chain atoms for residue W 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue W 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue H 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue I 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue R 178 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue H 191 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0152 # Total number of residues in target: 210 # 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 T0152 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1QSM_A ATOM 7 CA PRO 41 31.686 52.138 43.888 1.00 1.00 ATOM 8 CA PRO 42 28.413 53.562 45.249 1.00 1.00 ATOM 9 CA TYR 43 26.490 53.158 41.979 1.00 1.00 ATOM 10 CA GLY 44 24.628 49.992 41.005 1.00 1.00 ATOM 11 CA LEU 45 22.364 49.191 38.056 1.00 1.00 ATOM 12 CA ARG 46 19.203 47.078 37.927 1.00 1.00 ATOM 13 CA VAL 47 16.018 46.587 35.928 1.00 1.00 ATOM 14 CA ALA 48 13.110 48.927 36.673 1.00 1.00 ATOM 15 CA GLN 49 10.311 48.106 39.107 1.00 1.00 ATOM 16 CA LEU 50 6.795 49.577 39.341 1.00 1.00 ATOM 17 CA THR 51 8.205 51.679 42.181 1.00 1.00 ATOM 18 CA ASP 52 10.896 53.118 39.903 1.00 1.00 ATOM 19 CA ALA 53 8.414 54.991 37.693 1.00 1.00 ATOM 20 CA GLU 54 8.538 58.403 39.354 1.00 1.00 ATOM 21 CA MET 55 12.335 58.404 39.106 1.00 1.00 ATOM 22 CA LEU 56 12.506 57.028 35.577 1.00 1.00 ATOM 23 CA ALA 57 9.872 59.469 34.282 1.00 1.00 ATOM 24 CA GLU 58 11.775 62.464 35.717 1.00 1.00 ATOM 25 CA TRP 59 14.960 61.401 33.895 1.00 1.00 ATOM 26 CA MET 60 12.813 60.663 30.830 1.00 1.00 ATOM 27 CA ASN 61 11.552 64.272 30.902 1.00 1.00 ATOM 28 CA ARG 62 15.088 65.658 31.371 1.00 1.00 ATOM 29 CA LEU 65 16.282 63.396 28.551 1.00 1.00 ATOM 30 CA ALA 66 13.565 64.943 26.379 1.00 1.00 ATOM 31 CA ALA 67 14.744 68.462 27.289 1.00 1.00 ATOM 32 CA ALA 68 18.276 67.498 26.281 1.00 1.00 ATOM 33 CA TRP 69 17.014 66.350 22.891 1.00 1.00 ATOM 34 CA GLU 70 14.859 69.492 22.567 1.00 1.00 ATOM 35 CA TYR 71 11.820 67.247 21.992 1.00 1.00 ATOM 36 CA ASP 72 8.546 66.604 23.791 1.00 1.00 ATOM 37 CA TRP 73 6.563 63.342 23.871 1.00 1.00 ATOM 38 CA PRO 74 2.958 62.950 25.120 1.00 1.00 ATOM 39 CA ALA 75 2.728 61.690 28.727 1.00 1.00 ATOM 40 CA SER 76 0.825 58.647 27.440 1.00 1.00 ATOM 41 CA ARG 77 4.026 57.432 25.779 1.00 1.00 ATOM 42 CA TRP 78 5.784 57.402 29.148 1.00 1.00 ATOM 43 CA ARG 79 3.186 54.902 30.420 1.00 1.00 ATOM 44 CA GLN 80 3.350 52.792 27.267 1.00 1.00 ATOM 45 CA HIS 81 7.131 52.592 27.516 1.00 1.00 ATOM 46 CA LEU 82 7.026 51.684 31.195 1.00 1.00 ATOM 47 CA ASN 83 4.299 49.174 30.418 1.00 1.00 ATOM 48 CA ALA 84 6.477 47.413 27.832 1.00 1.00 ATOM 49 CA GLN 85 9.390 47.398 30.320 1.00 1.00 ATOM 50 CA LEU 86 7.351 45.618 32.996 1.00 1.00 ATOM 51 CA GLU 87 5.734 43.155 30.580 1.00 1.00 ATOM 52 CA GLY 88 8.073 40.142 30.614 1.00 1.00 ATOM 53 CA THR 89 6.667 39.008 27.261 1.00 1.00 ATOM 54 CA TYR 90 7.637 42.172 25.424 1.00 1.00 ATOM 56 CA SER 91 11.760 45.940 25.727 1.00 1.00 ATOM 57 CA LEU 92 13.635 46.639 28.952 1.00 1.00 ATOM 58 CA PRO 93 14.821 49.507 31.134 1.00 1.00 ATOM 59 CA LEU 94 17.398 49.755 33.877 1.00 1.00 ATOM 60 CA ILE 95 18.273 52.454 36.403 1.00 1.00 ATOM 61 CA GLY 96 21.578 53.570 37.921 1.00 1.00 ATOM 62 CA SER 97 20.898 53.679 41.648 1.00 1.00 ATOM 63 CA TRP 98 22.936 55.529 44.234 1.00 1.00 ATOM 64 CA HIS 99 23.603 52.978 46.987 1.00 1.00 ATOM 65 CA GLY 100 23.869 55.568 49.798 1.00 1.00 ATOM 68 CA THR 101 18.223 57.843 44.447 1.00 1.00 ATOM 69 CA ASP 102 17.797 57.010 40.756 1.00 1.00 ATOM 70 CA GLY 103 20.489 58.904 38.849 1.00 1.00 ATOM 71 CA GLY 104 20.624 57.051 35.539 1.00 1.00 ATOM 72 CA TYR 105 18.373 55.580 32.870 1.00 1.00 ATOM 73 CA LEU 106 18.915 53.209 29.940 1.00 1.00 ATOM 74 CA GLU 107 16.186 51.907 27.631 1.00 1.00 ATOM 75 CA LEU 108 16.870 48.978 25.313 1.00 1.00 ATOM 76 CA TYR 109 15.022 46.442 23.179 1.00 1.00 ATOM 77 CA TRP 110 15.368 43.299 21.106 1.00 1.00 ATOM 78 CA ALA 111 14.806 43.104 17.343 1.00 1.00 ATOM 79 CA ALA 112 15.530 40.914 14.311 1.00 1.00 ATOM 80 CA LYS 113 18.269 40.916 11.694 1.00 1.00 ATOM 81 CA ASP 114 18.593 39.255 8.292 1.00 1.00 ATOM 82 CA LEU 115 22.314 38.721 9.007 1.00 1.00 ATOM 83 CA ILE 116 21.844 36.255 11.881 1.00 1.00 ATOM 84 CA SER 117 19.573 33.556 13.303 1.00 1.00 ATOM 85 CA HIS 118 19.493 35.286 16.691 1.00 1.00 ATOM 86 CA TYR 125 18.277 38.838 17.296 1.00 1.00 ATOM 87 CA ASP 126 20.247 41.813 18.627 1.00 1.00 ATOM 88 CA LEU 127 19.909 44.607 21.177 1.00 1.00 ATOM 89 CA GLY 128 19.463 48.304 20.508 1.00 1.00 ATOM 90 CA LEU 129 20.158 50.806 23.278 1.00 1.00 ATOM 91 CA HIS 130 17.562 53.476 22.464 1.00 1.00 ATOM 92 CA ALA 131 18.020 55.843 25.410 1.00 1.00 ATOM 93 CA ALA 132 20.741 56.720 27.909 1.00 1.00 ATOM 94 CA ILE 133 20.687 59.534 30.472 1.00 1.00 ATOM 95 CA ALA 134 22.454 60.444 33.738 1.00 1.00 ATOM 96 CA ASP 135 21.642 63.365 36.106 1.00 1.00 ATOM 97 CA LEU 136 23.851 66.419 35.553 1.00 1.00 ATOM 98 CA SER 137 24.995 66.317 39.187 1.00 1.00 ATOM 99 CA LYS 138 25.701 62.575 38.913 1.00 1.00 ATOM 100 CA VAL 139 27.828 62.654 35.760 1.00 1.00 ATOM 101 CA ASN 140 31.410 61.441 35.393 1.00 1.00 ATOM 102 CA ARG 141 31.082 58.931 38.254 1.00 1.00 ATOM 103 CA GLY 142 30.854 55.805 36.100 1.00 1.00 ATOM 104 CA PHE 143 27.051 55.556 35.922 1.00 1.00 ATOM 105 CA GLY 144 26.915 55.854 32.140 1.00 1.00 ATOM 106 CA PRO 145 29.451 53.106 31.549 1.00 1.00 ATOM 107 CA LEU 146 27.792 50.858 34.148 1.00 1.00 ATOM 108 CA LEU 147 24.414 51.273 32.464 1.00 1.00 ATOM 109 CA LEU 148 25.923 50.181 29.126 1.00 1.00 ATOM 110 CA PRO 149 27.741 47.264 30.731 1.00 1.00 ATOM 111 CA ARG 150 24.457 46.151 32.313 1.00 1.00 ATOM 112 CA ILE 151 22.913 45.916 28.828 1.00 1.00 ATOM 113 CA VAL 152 26.020 44.019 27.683 1.00 1.00 ATOM 114 CA ALA 153 25.597 41.469 30.491 1.00 1.00 ATOM 115 CA SER 154 21.884 41.023 29.922 1.00 1.00 ATOM 116 CA VAL 155 22.460 40.727 26.167 1.00 1.00 ATOM 117 CA PHE 156 24.839 37.869 26.971 1.00 1.00 ATOM 118 CA GLU 159 22.299 36.126 29.245 1.00 1.00 ATOM 119 CA PRO 160 19.677 36.520 26.505 1.00 1.00 ATOM 120 CA ARG 161 21.948 34.908 23.929 1.00 1.00 ATOM 121 CA CYS 162 21.800 38.052 21.750 1.00 1.00 ATOM 122 CA ARG 163 25.250 39.694 22.454 1.00 1.00 ATOM 123 CA ARG 164 25.131 42.015 19.457 1.00 1.00 ATOM 124 CA ILE 165 24.484 45.414 21.073 1.00 1.00 ATOM 125 CA MET 166 24.466 48.776 19.279 1.00 1.00 ATOM 126 CA PHE 167 23.246 52.372 19.506 1.00 1.00 ATOM 127 CA ASP 168 23.626 55.769 17.850 1.00 1.00 ATOM 128 CA PRO 169 24.407 59.252 19.111 1.00 1.00 ATOM 129 CA ASP 170 24.256 62.683 17.489 1.00 1.00 ATOM 130 CA HIS 171 27.509 63.514 15.704 1.00 1.00 ATOM 131 CA ARG 172 27.668 66.665 17.827 1.00 1.00 ATOM 132 CA ASN 173 27.362 64.853 21.172 1.00 1.00 ATOM 133 CA THR 174 31.043 64.717 22.102 1.00 1.00 ATOM 134 CA ALA 175 30.386 64.327 25.831 1.00 1.00 ATOM 135 CA THR 176 28.614 61.013 25.206 1.00 1.00 ATOM 136 CA ARG 177 31.149 59.844 22.635 1.00 1.00 ATOM 137 CA ARG 178 33.901 60.366 25.212 1.00 1.00 ATOM 138 CA LEU 179 32.447 57.249 26.845 1.00 1.00 ATOM 139 CA CYS 180 31.157 55.368 23.772 1.00 1.00 ATOM 140 CA GLU 181 34.661 55.267 22.357 1.00 1.00 ATOM 141 CA TRP 182 35.743 53.307 25.469 1.00 1.00 ATOM 142 CA ALA 183 32.807 50.865 25.686 1.00 1.00 ATOM 143 CA GLY 184 32.325 50.391 21.956 1.00 1.00 ATOM 144 CA CYS 185 33.477 51.516 18.542 1.00 1.00 ATOM 145 CA LYS 186 32.209 53.865 15.837 1.00 1.00 ATOM 146 CA PHE 187 30.899 51.901 12.846 1.00 1.00 ATOM 147 CA LEU 188 31.757 53.366 9.384 1.00 1.00 ATOM 148 CA GLY 189 28.081 53.825 8.540 1.00 1.00 ATOM 149 CA GLU 190 25.633 56.570 7.574 1.00 1.00 ATOM 150 CA HIS 191 22.039 56.567 8.800 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:35:39 2002 Date: Thu, 18 Jul 2002 18:35:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 18:07:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_194879_12621 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS189_1 Current information on models submitted in prediction T0152TS189 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_1 PIN_194879_12621 5035-2079-5263 07/18/02 18:07:23 casp5@bialko.llnl.gov T0152TS189_3 PIN_185842_12617 5035-2079-5263 07/18/02 18:06:32 casp5@bialko.llnl.gov T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS189_1 PIN_194879_12621 5035-2079-5263 07/18/02 18:07:23 casp5@bialko.llnl.gov T0152TS189_2 PIN_674588_12566 5035-2079-5263 07/18/02 17:55:24 casp5@bialko.llnl.gov T0152TS189_3 PIN_185842_12617 5035-2079-5263 07/18/02 18:06:32 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 T0152 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1CJW_A # Loading PARENT structure: 1cjw (chain: A) # Number of residues in PARENT structure: 166 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue M 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue M 60 # IMPORTANT NOTE! Not complete main chain atoms for residue N 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue H 64 # IMPORTANT NOTE! Not complete main chain atoms for residue L 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue W 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue W 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue W 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 80 # IMPORTANT NOTE! Not complete main chain atoms for residue H 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue L 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue G 96 # IMPORTANT NOTE! Not complete main chain atoms for residue S 97 # IMPORTANT NOTE! Not complete main chain atoms for residue W 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 109 # IMPORTANT NOTE! Not complete main chain atoms for residue W 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue H 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue P 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue I 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue R 178 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue H 191 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 140 # Total number of atoms in model: 140 # Number of atoms with 1.0 occupancy: 140 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 140 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1CJW_A ATOM 35 CA TYR 43 -35.004 55.875 31.916 1.00 1.00 ATOM 36 CA GLY 44 -32.794 58.801 32.912 1.00 1.00 ATOM 37 CA LEU 45 -29.255 59.663 31.790 1.00 1.00 ATOM 38 CA ARG 46 -27.303 62.178 33.870 1.00 1.00 ATOM 39 CA VAL 47 -23.901 63.007 35.303 1.00 1.00 ATOM 40 CA ALA 48 -23.415 61.588 38.806 1.00 1.00 ATOM 41 CA GLN 49 -22.827 63.491 42.059 1.00 1.00 ATOM 42 CA LEU 50 -21.268 62.223 45.326 1.00 1.00 ATOM 43 CA THR 51 -24.784 61.155 46.438 1.00 1.00 ATOM 44 CA ASP 52 -24.546 58.320 43.890 1.00 1.00 ATOM 45 CA ALA 53 -21.280 56.977 45.366 1.00 1.00 ATOM 46 CA GLU 54 -22.988 54.221 47.400 1.00 1.00 ATOM 47 CA MET 55 -24.950 52.965 44.390 1.00 1.00 ATOM 48 CA LEU 56 -21.828 52.964 42.235 1.00 1.00 ATOM 49 CA ALA 57 -19.800 51.052 44.840 1.00 1.00 ATOM 50 CA GLU 58 -22.540 48.413 45.233 1.00 1.00 ATOM 51 CA TRP 59 -22.436 47.695 41.522 1.00 1.00 ATOM 52 CA MET 60 -18.631 47.397 41.752 1.00 1.00 ATOM 53 CA ASN 61 -18.897 44.853 44.561 1.00 1.00 ATOM 54 CA ARG 62 -20.648 42.342 42.326 1.00 1.00 ATOM 55 CA PRO 63 -19.155 43.534 39.026 1.00 1.00 ATOM 56 CA HIS 64 -15.493 43.566 40.067 1.00 1.00 ATOM 57 CA LEU 65 -14.830 42.486 43.661 1.00 1.00 ATOM 58 CA ALA 66 -16.768 39.202 43.436 1.00 1.00 ATOM 59 CA ALA 67 -14.644 38.277 40.406 1.00 1.00 ATOM 60 CA ALA 68 -11.087 39.430 41.141 1.00 1.00 ATOM 61 CA TRP 69 -11.232 40.529 44.774 1.00 1.00 ATOM 62 CA GLU 70 -10.642 44.214 44.018 1.00 1.00 ATOM 63 CA TYR 71 -12.337 47.041 42.141 1.00 1.00 ATOM 64 CA ASP 72 -11.453 50.213 40.184 1.00 1.00 ATOM 65 CA TRP 73 -12.786 52.706 42.707 1.00 1.00 ATOM 66 CA PRO 74 -13.541 52.322 46.409 1.00 1.00 ATOM 67 CA ALA 75 -16.166 54.556 48.063 1.00 1.00 ATOM 68 CA SER 76 -13.664 57.335 48.813 1.00 1.00 ATOM 69 CA ARG 77 -12.248 57.248 45.263 1.00 1.00 ATOM 70 CA TRP 78 -15.726 57.405 43.720 1.00 1.00 ATOM 71 CA ARG 79 -16.485 60.428 45.927 1.00 1.00 ATOM 72 CA GLN 80 -13.162 62.014 44.932 1.00 1.00 ATOM 73 CA HIS 81 -13.891 62.044 41.187 1.00 1.00 ATOM 74 CA LEU 82 -17.577 62.866 41.586 1.00 1.00 ATOM 75 CA ASN 83 -16.516 65.897 43.644 1.00 1.00 ATOM 76 CA ALA 84 -13.619 67.078 41.465 1.00 1.00 ATOM 77 CA GLN 85 -15.029 66.223 38.041 1.00 1.00 ATOM 78 CA TYR 90 -18.678 65.033 38.061 1.00 1.00 ATOM 79 CA SER 91 -19.000 66.274 34.472 1.00 1.00 ATOM 80 CA LEU 92 -16.773 63.345 33.545 1.00 1.00 ATOM 81 CA PRO 93 -19.252 60.769 34.819 1.00 1.00 ATOM 82 CA LEU 94 -22.502 59.373 33.424 1.00 1.00 ATOM 83 CA ILE 95 -25.154 57.094 34.891 1.00 1.00 ATOM 84 CA GLY 96 -28.256 55.327 33.596 1.00 1.00 ATOM 85 CA SER 97 -31.163 55.181 36.058 1.00 1.00 ATOM 86 CA TRP 98 -34.171 52.900 35.607 1.00 1.00 ATOM 87 CA HIS 99 -37.161 53.600 37.863 1.00 1.00 ATOM 88 CA GLY 100 -34.991 55.654 40.216 1.00 1.00 ATOM 89 CA THR 101 -32.158 53.103 40.493 1.00 1.00 ATOM 90 CA ASP 102 -28.634 53.155 39.021 1.00 1.00 ATOM 91 CA GLY 103 -28.127 50.359 36.477 1.00 1.00 ATOM 92 CA GLY 104 -24.972 51.497 34.616 1.00 1.00 ATOM 93 CA TYR 105 -22.182 54.041 35.103 1.00 1.00 ATOM 94 CA LEU 106 -18.870 55.426 33.853 1.00 1.00 ATOM 96 CA GLU 107 -13.742 59.369 34.649 1.00 1.00 ATOM 97 CA LEU 108 -11.211 62.149 35.231 1.00 1.00 ATOM 98 CA TYR 109 -8.681 64.007 33.088 1.00 1.00 ATOM 99 CA TRP 110 -5.210 62.640 32.387 1.00 1.00 ATOM 100 CA ALA 111 -2.328 64.536 30.747 1.00 1.00 ATOM 101 CA ALA 112 0.121 61.855 29.523 1.00 1.00 ATOM 102 CA LYS 113 0.060 59.497 26.527 1.00 1.00 ATOM 103 CA ASP 114 0.220 56.297 28.617 1.00 1.00 ATOM 104 CA LEU 115 -1.719 55.497 31.807 1.00 1.00 ATOM 105 CA ILE 116 0.392 55.041 34.960 1.00 1.00 ATOM 106 CA SER 117 -0.008 53.658 38.485 1.00 1.00 ATOM 107 CA HIS 118 -0.413 57.216 39.747 1.00 1.00 ATOM 108 CA TYR 119 -3.123 58.054 37.174 1.00 1.00 ATOM 109 CA TYR 120 -5.530 55.733 39.024 1.00 1.00 ATOM 110 CA ASP 121 -6.002 58.335 41.759 1.00 1.00 ATOM 112 CA ALA 122 -7.392 64.238 38.003 1.00 1.00 ATOM 113 CA ASP 123 -5.241 66.540 35.854 1.00 1.00 ATOM 114 CA PRO 124 -7.399 69.677 35.259 1.00 1.00 ATOM 115 CA TYR 125 -5.091 70.788 32.437 1.00 1.00 ATOM 116 CA ASP 126 -5.093 67.377 30.738 1.00 1.00 ATOM 117 CA LEU 127 -6.850 66.568 27.465 1.00 1.00 ATOM 118 CA GLY 128 -7.582 62.876 27.976 1.00 1.00 ATOM 121 CA LEU 129 -12.477 56.193 32.147 1.00 1.00 ATOM 122 CA HIS 130 -11.615 54.711 35.549 1.00 1.00 ATOM 123 CA ALA 131 -14.586 52.350 35.587 1.00 1.00 ATOM 124 CA ALA 132 -17.481 51.212 33.386 1.00 1.00 ATOM 125 CA ILE 133 -20.029 48.674 34.617 1.00 1.00 ATOM 126 CA ALA 134 -23.644 47.620 34.192 1.00 1.00 ATOM 127 CA ASP 135 -25.770 46.165 37.011 1.00 1.00 ATOM 128 CA LEU 136 -25.854 42.345 36.807 1.00 1.00 ATOM 129 CA SER 137 -29.615 42.230 36.196 1.00 1.00 ATOM 130 CA LYS 138 -29.318 44.585 33.214 1.00 1.00 ATOM 131 CA VAL 139 -26.424 43.190 31.149 1.00 1.00 ATOM 132 CA ASN 140 -26.400 41.781 27.601 1.00 1.00 ATOM 133 CA ARG 141 -29.091 44.216 26.461 1.00 1.00 ATOM 134 CA GLY 142 -27.110 47.044 24.869 1.00 1.00 ATOM 135 CA PHE 143 -26.951 49.262 27.980 1.00 1.00 ATOM 136 CA GLY 144 -23.147 49.299 28.166 1.00 1.00 ATOM 137 CA PRO 145 -22.862 50.189 24.470 1.00 1.00 ATOM 138 CA LEU 146 -25.535 52.901 24.655 1.00 1.00 ATOM 139 CA LEU 147 -23.957 54.406 27.786 1.00 1.00 ATOM 140 CA LEU 148 -20.468 54.305 26.254 1.00 1.00 ATOM 141 CA PRO 149 -21.499 56.034 22.988 1.00 1.00 ATOM 142 CA ARG 150 -23.445 58.650 24.949 1.00 1.00 ATOM 143 CA ILE 151 -20.374 59.167 27.155 1.00 1.00 ATOM 144 CA VAL 152 -18.001 59.617 24.204 1.00 1.00 ATOM 145 CA ALA 153 -20.300 62.260 22.738 1.00 1.00 ATOM 146 CA SER 154 -20.794 63.906 26.146 1.00 1.00 ATOM 147 CA VAL 155 -17.081 64.334 26.948 1.00 1.00 ATOM 148 CA PHE 156 -16.031 64.804 23.331 1.00 1.00 ATOM 149 CA ASN 158 -18.414 67.750 23.303 1.00 1.00 ATOM 150 CA GLU 159 -16.367 69.346 26.094 1.00 1.00 ATOM 151 CA PRO 160 -13.712 71.435 24.279 1.00 1.00 ATOM 152 CA ARG 161 -10.654 70.350 26.282 1.00 1.00 ATOM 153 CA CYS 162 -11.115 66.607 25.807 1.00 1.00 ATOM 154 CA ARG 163 -9.230 65.428 22.707 1.00 1.00 ATOM 155 CA ARG 164 -9.019 61.712 23.483 1.00 1.00 ATOM 156 CA ILE 165 -10.468 58.988 25.759 1.00 1.00 ATOM 157 CA MET 166 -8.332 56.339 27.458 1.00 1.00 ATOM 158 CA PHE 167 -9.020 53.233 29.522 1.00 1.00 ATOM 160 CA ASP 168 -9.487 46.429 30.073 1.00 1.00 ATOM 161 CA PRO 169 -8.824 42.717 30.186 1.00 1.00 ATOM 162 CA THR 174 -7.938 41.102 26.862 1.00 1.00 ATOM 163 CA ALA 175 -11.458 39.718 26.343 1.00 1.00 ATOM 164 CA THR 176 -12.990 43.211 26.123 1.00 1.00 ATOM 165 CA ARG 177 -10.562 44.568 23.524 1.00 1.00 ATOM 166 CA ARG 178 -12.815 43.766 20.528 1.00 1.00 ATOM 167 CA LEU 179 -15.781 45.353 22.325 1.00 1.00 ATOM 168 CA CYS 180 -14.002 48.684 22.799 1.00 1.00 ATOM 169 CA GLU 181 -12.696 48.621 19.226 1.00 1.00 ATOM 170 CA TRP 182 -16.361 48.941 18.165 1.00 1.00 ATOM 171 CA ALA 183 -16.383 52.460 19.656 1.00 1.00 ATOM 172 CA GLY 184 -13.241 53.719 17.941 1.00 1.00 ATOM 173 CA CYS 185 -10.704 52.622 20.568 1.00 1.00 ATOM 174 CA LYS 186 -7.359 51.264 19.356 1.00 1.00 ATOM 175 CA PHE 187 -5.368 48.632 21.301 1.00 1.00 ATOM 176 CA LEU 188 -2.312 50.488 22.628 1.00 1.00 ATOM 177 CA GLY 189 -0.286 47.655 24.128 1.00 1.00 ATOM 178 CA GLU 190 -0.071 46.332 27.706 1.00 1.00 ATOM 179 CA HIS 191 -1.086 48.907 30.293 1.00 1.00 TER END ################################ # # # END # # # ################################