From mailer@bialko.llnl.gov Wed Aug 7 20:33:18 2002 Date: Wed, 7 Aug 2002 20:33:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 20:05:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_177097_19707 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169SS389_1 Current information on models submitted in prediction T0169SS389 MODEL_INDEX PIN CODE DATE E-mail T0169SS389_1 PIN_177097_19707 1549-8716-6404 08/07/02 20:05:27 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169SS389_1 PIN_177097_19707 1549-8716-6404 08/07/02 20:05:27 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 T0169 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: 156 # Number of residues with nonzero confidence: 156 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0169 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0169.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0169.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0169.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 T0169.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ METHOD Comments from T0169.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ METHOD Comments from T0169.t2k.str.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ MODEL 1 M C 0.94 D C 0.50 I E 0.63 R E 0.56 T C 0.56 I C 0.83 T C 0.92 S H 0.63 S H 0.62 D H 0.73 Y H 0.92 E H 0.94 M H 0.95 V H 0.96 T H 0.97 S H 0.96 V H 0.94 L H 0.93 N H 0.85 E H 0.74 W H 0.50 W C 0.78 G C 0.78 G C 0.72 R C 0.64 Q C 0.50 L H 0.54 K H 0.68 E H 0.84 K H 0.88 L H 0.90 P H 0.92 R H 0.93 L H 0.93 F H 0.92 F H 0.87 E H 0.69 H C 0.65 F C 0.85 Q C 0.87 D C 0.85 T C 0.53 S E 0.90 F E 0.97 I E 0.97 T E 0.97 S E 0.91 E E 0.66 H C 0.96 N C 0.94 S E 0.83 M E 0.96 T E 0.97 G E 0.98 F E 0.98 L E 0.98 I E 0.98 G E 0.95 F E 0.87 Q E 0.62 S C 0.72 Q C 0.81 S C 0.81 D C 0.77 P C 0.75 E C 0.62 T E 0.74 A E 0.89 Y E 0.94 I E 0.94 H E 0.91 F E 0.92 S E 0.92 G E 0.94 V E 0.83 H C 0.69 P H 0.59 D H 0.60 F H 0.75 R C 0.58 K C 0.74 M C 0.72 Q C 0.70 I H 0.64 G H 0.88 K H 0.97 Q H 0.97 L H 0.97 Y H 0.98 D H 0.98 V H 0.97 F H 0.97 I H 0.97 E H 0.97 T H 0.97 V H 0.97 K H 0.96 Q H 0.85 R C 0.73 G C 0.98 C C 0.95 T C 0.58 R E 0.94 V E 0.97 K E 0.98 C E 0.94 V E 0.86 T E 0.63 S C 0.75 P C 0.87 V C 0.88 N C 0.75 K H 0.85 V H 0.93 S H 0.97 I H 0.97 A H 0.97 Y H 0.97 H H 0.97 T H 0.94 K H 0.84 L C 0.55 G C 0.96 F C 0.82 D E 0.69 I E 0.80 E E 0.82 K E 0.78 G E 0.82 T E 0.82 K E 0.74 T C 0.51 V C 0.71 N C 0.81 G C 0.71 I C 0.50 S E 0.68 V E 0.74 F E 0.74 A E 0.68 N E 0.56 Y C 0.59 D C 0.83 G C 0.90 P C 0.87 G C 0.68 Q C 0.54 D C 0.41 R H 0.46 V E 0.49 L E 0.53 F E 0.51 V E 0.46 K C 0.42 N C 0.76 I C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:44:29 2002 Date: Tue, 13 Aug 2002 10:44:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 10:16:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_294851_22038 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS189_1 Current information on models submitted in prediction T0169TS189 MODEL_INDEX PIN CODE DATE E-mail T0169TS189_1 PIN_294851_22038 5035-2079-5263 08/13/02 10:16:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS189_1 PIN_294851_22038 5035-2079-5263 08/13/02 10:16:38 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 T0169 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1I1D_A # Loading PARENT structure: 1i1d (chain: A) # Number of residues in PARENT structure: 156 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue T 130 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 126 # Total number of atoms in model: 126 # Number of atoms with 1.0 occupancy: 126 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 126 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1I1D_A ATOM 8 CA ASP 2 73.248 -9.897 21.710 1.00 1.00 ATOM 9 CA ILE 3 70.810 -8.351 19.261 1.00 1.00 ATOM 10 CA ARG 4 67.357 -9.640 18.441 1.00 1.00 ATOM 11 CA THR 5 64.031 -8.544 17.103 1.00 1.00 ATOM 12 CA ILE 6 61.935 -6.499 19.551 1.00 1.00 ATOM 13 CA THR 7 59.255 -8.470 21.368 1.00 1.00 ATOM 14 CA SER 8 55.996 -7.681 23.088 1.00 1.00 ATOM 15 CA SER 9 57.615 -8.108 26.513 1.00 1.00 ATOM 16 CA ASP 10 60.070 -5.277 25.771 1.00 1.00 ATOM 17 CA TYR 11 57.572 -2.539 26.369 1.00 1.00 ATOM 18 CA GLU 12 58.941 -1.208 29.573 1.00 1.00 ATOM 19 CA MET 13 62.622 -1.240 28.644 1.00 1.00 ATOM 20 CA VAL 14 62.087 0.078 25.129 1.00 1.00 ATOM 21 CA THR 15 59.909 3.000 26.257 1.00 1.00 ATOM 22 CA SER 16 62.472 3.827 28.856 1.00 1.00 ATOM 23 CA VAL 17 65.226 3.740 26.273 1.00 1.00 ATOM 24 CA LEU 18 63.417 5.765 23.648 1.00 1.00 ATOM 25 CA ASN 19 62.578 8.484 26.193 1.00 1.00 ATOM 26 CA GLU 20 66.176 9.561 26.092 1.00 1.00 ATOM 27 CA TRP 21 65.727 10.279 22.382 1.00 1.00 ATOM 28 CA TRP 22 62.365 12.058 22.364 1.00 1.00 ATOM 29 CA GLY 23 58.747 12.100 23.581 1.00 1.00 ATOM 30 CA GLY 24 57.192 8.640 24.053 1.00 1.00 ATOM 31 CA ARG 25 54.234 9.285 26.337 1.00 1.00 ATOM 32 CA GLN 26 51.610 6.820 27.486 1.00 1.00 ATOM 33 CA LEU 27 51.515 3.370 25.974 1.00 1.00 ATOM 34 CA LYS 28 49.491 0.456 27.346 1.00 1.00 ATOM 35 CA GLU 29 50.522 -3.203 27.128 1.00 1.00 ATOM 36 CA LYS 30 47.376 -3.769 25.066 1.00 1.00 ATOM 37 CA LEU 31 48.267 -1.212 22.414 1.00 1.00 ATOM 38 CA PRO 32 51.943 -2.317 22.344 1.00 1.00 ATOM 39 CA ARG 33 50.720 -5.852 21.747 1.00 1.00 ATOM 40 CA LEU 34 48.859 -4.571 18.723 1.00 1.00 ATOM 41 CA PHE 35 51.848 -2.602 17.444 1.00 1.00 ATOM 42 CA PHE 36 54.116 -5.633 17.686 1.00 1.00 ATOM 43 CA GLU 37 51.618 -7.785 15.714 1.00 1.00 ATOM 44 CA HIS 38 51.404 -5.159 12.984 1.00 1.00 ATOM 45 CA PHE 39 55.248 -4.890 12.816 1.00 1.00 ATOM 46 CA GLN 40 55.418 -8.669 12.784 1.00 1.00 ATOM 47 CA ASP 41 52.980 -9.069 9.932 1.00 1.00 ATOM 48 CA THR 42 53.613 -6.238 7.472 1.00 1.00 ATOM 49 CA SER 43 55.574 -7.601 4.499 1.00 1.00 ATOM 65 CA PHE 44 65.908 -4.507 17.020 1.00 1.00 ATOM 66 CA ILE 45 67.100 -4.397 20.595 1.00 1.00 ATOM 67 CA THR 46 70.647 -5.018 21.822 1.00 1.00 ATOM 68 CA SER 47 70.435 -6.748 25.248 1.00 1.00 ATOM 69 CA GLU 48 73.053 -6.922 28.017 1.00 1.00 ATOM 70 CA HIS 49 72.324 -10.560 28.957 1.00 1.00 ATOM 73 CA ASN 50 68.530 -8.660 30.802 1.00 1.00 ATOM 74 CA SER 51 68.702 -4.896 30.127 1.00 1.00 ATOM 75 CA MET 52 68.008 -3.255 26.761 1.00 1.00 ATOM 76 CA THR 53 71.161 -1.320 25.965 1.00 1.00 ATOM 77 CA GLY 54 69.952 0.087 22.652 1.00 1.00 ATOM 78 CA PHE 55 67.198 -0.073 20.072 1.00 1.00 ATOM 79 CA LEU 56 66.956 0.918 16.386 1.00 1.00 ATOM 80 CA ILE 57 64.733 0.003 13.461 1.00 1.00 ATOM 81 CA GLY 58 64.947 -0.215 9.687 1.00 1.00 ATOM 82 CA PHE 59 61.821 0.279 7.584 1.00 1.00 ATOM 83 CA GLN 60 61.750 -1.137 4.041 1.00 1.00 ATOM 88 CA SER 61 62.918 3.993 -9.421 1.00 1.00 ATOM 89 CA GLN 62 65.965 1.700 -9.683 1.00 1.00 ATOM 90 CA SER 63 63.838 -1.039 -11.314 1.00 1.00 ATOM 91 CA ASP 64 61.266 -1.306 -8.535 1.00 1.00 ATOM 92 CA PRO 65 64.109 -0.782 -6.012 1.00 1.00 ATOM 93 CA GLU 66 64.018 -1.212 -2.268 1.00 1.00 ATOM 94 CA THR 67 65.058 1.594 0.009 1.00 1.00 ATOM 95 CA ALA 68 65.809 1.095 3.715 1.00 1.00 ATOM 96 CA TYR 69 64.970 3.855 6.246 1.00 1.00 ATOM 97 CA ILE 70 66.887 3.554 9.555 1.00 1.00 ATOM 98 CA HIS 71 64.863 5.123 12.362 1.00 1.00 ATOM 99 CA PHE 72 64.631 5.649 16.074 1.00 1.00 ATOM 100 CA SER 73 68.188 4.897 17.125 1.00 1.00 ATOM 101 CA GLY 74 68.680 5.222 20.912 1.00 1.00 ATOM 102 CA VAL 75 71.501 3.910 23.064 1.00 1.00 ATOM 103 CA HIS 76 71.083 4.195 26.828 1.00 1.00 ATOM 104 CA PRO 77 73.598 6.502 28.473 1.00 1.00 ATOM 105 CA ASP 78 75.153 3.793 30.640 1.00 1.00 ATOM 106 CA PHE 79 75.916 1.827 27.473 1.00 1.00 ATOM 107 CA ARG 80 77.297 4.532 25.197 1.00 1.00 ATOM 108 CA LYS 81 80.968 4.768 24.178 1.00 1.00 ATOM 109 CA MET 82 81.292 1.008 23.957 1.00 1.00 ATOM 110 CA GLN 83 80.749 0.584 20.216 1.00 1.00 ATOM 111 CA ILE 84 77.152 -0.574 20.528 1.00 1.00 ATOM 112 CA GLY 85 75.647 2.218 18.481 1.00 1.00 ATOM 113 CA LYS 86 77.941 1.437 15.551 1.00 1.00 ATOM 114 CA GLN 87 77.257 -2.289 15.817 1.00 1.00 ATOM 115 CA LEU 88 73.510 -1.602 15.926 1.00 1.00 ATOM 116 CA TYR 89 73.699 0.535 12.734 1.00 1.00 ATOM 117 CA ASP 90 75.892 -2.135 11.124 1.00 1.00 ATOM 118 CA VAL 91 73.302 -4.806 11.843 1.00 1.00 ATOM 119 CA PHE 92 70.474 -2.638 10.492 1.00 1.00 ATOM 120 CA ILE 93 72.430 -1.926 7.336 1.00 1.00 ATOM 121 CA GLU 94 73.074 -5.638 6.919 1.00 1.00 ATOM 122 CA THR 95 69.381 -6.357 7.268 1.00 1.00 ATOM 123 CA VAL 96 68.689 -3.830 4.570 1.00 1.00 ATOM 124 CA LYS 97 71.299 -4.958 2.091 1.00 1.00 ATOM 125 CA GLN 98 70.346 -8.625 2.663 1.00 1.00 ATOM 126 CA ARG 99 66.797 -7.731 1.612 1.00 1.00 ATOM 127 CA GLY 100 68.199 -6.191 -1.555 1.00 1.00 ATOM 128 CA CYS 101 68.023 -2.492 -0.723 1.00 1.00 ATOM 129 CA THR 102 69.964 -0.374 -3.279 1.00 1.00 ATOM 130 CA ARG 103 70.392 2.264 -0.564 1.00 1.00 ATOM 131 CA VAL 104 69.774 2.834 3.119 1.00 1.00 ATOM 132 CA LYS 105 69.162 6.329 4.443 1.00 1.00 ATOM 133 CA CYS 106 68.471 8.037 7.803 1.00 1.00 ATOM 134 CA VAL 107 68.216 11.605 9.140 1.00 1.00 ATOM 135 CA THR 108 70.358 12.741 12.089 1.00 1.00 ATOM 136 CA SER 109 71.111 15.889 14.059 1.00 1.00 ATOM 137 CA PRO 110 74.164 17.705 12.871 1.00 1.00 ATOM 138 CA VAL 111 76.029 16.731 16.018 1.00 1.00 ATOM 139 CA ASN 112 75.696 13.043 15.199 1.00 1.00 ATOM 140 CA ILE 116 77.023 13.266 11.629 1.00 1.00 ATOM 141 CA ALA 117 80.555 12.154 12.601 1.00 1.00 ATOM 142 CA TYR 118 79.262 9.014 14.309 1.00 1.00 ATOM 143 CA HIS 119 77.283 8.122 11.172 1.00 1.00 ATOM 144 CA THR 120 80.269 8.765 8.881 1.00 1.00 ATOM 145 CA LYS 121 82.169 6.278 11.102 1.00 1.00 ATOM 146 CA LEU 122 79.352 3.746 10.370 1.00 1.00 ATOM 147 CA GLY 123 80.010 4.203 6.636 1.00 1.00 ATOM 148 CA PHE 124 77.331 6.783 5.843 1.00 1.00 ATOM 149 CA ASP 125 77.890 9.974 3.850 1.00 1.00 ATOM 150 CA ILE 126 76.084 13.341 3.891 1.00 1.00 ATOM 151 CA GLU 127 73.385 13.162 1.160 1.00 1.00 ATOM 152 CA LYS 128 71.002 16.022 1.739 1.00 1.00 ATOM 153 CA GLY 129 68.892 18.064 4.124 1.00 1.00 ATOM 154 CA THR 130 66.036 16.708 6.144 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:45:28 2002 Date: Tue, 13 Aug 2002 10:45:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 10:17:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_304922_22041 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS189_2 Current information on models submitted in prediction T0169TS189 MODEL_INDEX PIN CODE DATE E-mail T0169TS189_2 PIN_304922_22041 5035-2079-5263 08/13/02 10:17:36 casp5@bialko.llnl.gov T0169TS189_1 PIN_294851_22038 5035-2079-5263 08/13/02 10:16:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS189_1 PIN_294851_22038 5035-2079-5263 08/13/02 10:16:38 casp5@bialko.llnl.gov T0169TS189_2 PIN_304922_22041 5035-2079-5263 08/13/02 10:17:36 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 T0169 AUTHOR 5035-2079-5263 # Reading MODEL 2 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 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue T 130 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1QSM_A ATOM 9 CA MET 1 26.490 53.158 41.979 1.00 1.00 ATOM 10 CA ASP 2 24.628 49.992 41.005 1.00 1.00 ATOM 11 CA ILE 3 22.364 49.191 38.056 1.00 1.00 ATOM 12 CA ARG 4 19.203 47.078 37.927 1.00 1.00 ATOM 13 CA THR 5 16.018 46.587 35.928 1.00 1.00 ATOM 14 CA ILE 6 13.110 48.927 36.673 1.00 1.00 ATOM 15 CA THR 7 10.311 48.106 39.107 1.00 1.00 ATOM 16 CA SER 8 6.795 49.577 39.341 1.00 1.00 ATOM 17 CA SER 9 8.205 51.679 42.181 1.00 1.00 ATOM 18 CA ASP 10 10.896 53.118 39.903 1.00 1.00 ATOM 19 CA TYR 11 8.414 54.991 37.693 1.00 1.00 ATOM 20 CA GLU 12 8.538 58.403 39.354 1.00 1.00 ATOM 21 CA MET 13 12.335 58.404 39.106 1.00 1.00 ATOM 22 CA VAL 14 12.506 57.028 35.577 1.00 1.00 ATOM 23 CA THR 15 9.872 59.469 34.282 1.00 1.00 ATOM 24 CA SER 16 11.775 62.464 35.717 1.00 1.00 ATOM 25 CA VAL 17 14.960 61.401 33.895 1.00 1.00 ATOM 26 CA LEU 18 12.813 60.663 30.830 1.00 1.00 ATOM 27 CA ASN 19 11.552 64.272 30.902 1.00 1.00 ATOM 28 CA GLU 20 15.088 65.658 31.371 1.00 1.00 ATOM 29 CA TRP 21 16.282 63.396 28.551 1.00 1.00 ATOM 30 CA TRP 22 13.565 64.943 26.379 1.00 1.00 ATOM 36 CA GLY 23 8.546 66.604 23.791 1.00 1.00 ATOM 37 CA GLY 24 6.563 63.342 23.871 1.00 1.00 ATOM 38 CA ARG 25 2.958 62.950 25.120 1.00 1.00 ATOM 39 CA GLN 26 2.728 61.690 28.727 1.00 1.00 ATOM 40 CA LEU 27 0.825 58.647 27.440 1.00 1.00 ATOM 41 CA LYS 28 4.026 57.432 25.779 1.00 1.00 ATOM 42 CA GLU 29 5.784 57.402 29.148 1.00 1.00 ATOM 43 CA LYS 30 3.186 54.902 30.420 1.00 1.00 ATOM 44 CA LEU 31 3.350 52.792 27.267 1.00 1.00 ATOM 45 CA PRO 32 7.131 52.592 27.516 1.00 1.00 ATOM 46 CA ARG 33 7.026 51.684 31.195 1.00 1.00 ATOM 47 CA LEU 34 4.299 49.174 30.418 1.00 1.00 ATOM 48 CA PHE 35 6.477 47.413 27.832 1.00 1.00 ATOM 49 CA PHE 36 9.390 47.398 30.320 1.00 1.00 ATOM 50 CA GLU 37 7.351 45.618 32.996 1.00 1.00 ATOM 51 CA HIS 38 5.734 43.155 30.580 1.00 1.00 ATOM 52 CA PHE 39 8.073 40.142 30.614 1.00 1.00 ATOM 53 CA GLN 40 6.667 39.008 27.261 1.00 1.00 ATOM 54 CA ASP 41 7.637 42.172 25.424 1.00 1.00 ATOM 55 CA THR 42 11.359 42.291 24.746 1.00 1.00 ATOM 56 CA SER 43 11.760 45.940 25.727 1.00 1.00 ATOM 59 CA PHE 44 17.398 49.755 33.877 1.00 1.00 ATOM 60 CA ILE 45 18.273 52.454 36.403 1.00 1.00 ATOM 61 CA THR 46 21.578 53.570 37.921 1.00 1.00 ATOM 62 CA SER 47 20.898 53.679 41.648 1.00 1.00 ATOM 63 CA GLU 48 22.936 55.529 44.234 1.00 1.00 ATOM 64 CA HIS 49 23.603 52.978 46.987 1.00 1.00 ATOM 67 CA ASN 50 18.209 54.742 46.678 1.00 1.00 ATOM 68 CA SER 51 18.223 57.843 44.447 1.00 1.00 ATOM 69 CA MET 52 17.797 57.010 40.756 1.00 1.00 ATOM 70 CA THR 53 20.489 58.904 38.849 1.00 1.00 ATOM 71 CA GLY 54 20.624 57.051 35.539 1.00 1.00 ATOM 72 CA PHE 55 18.373 55.580 32.870 1.00 1.00 ATOM 73 CA LEU 56 18.915 53.209 29.940 1.00 1.00 ATOM 74 CA ILE 57 16.186 51.907 27.631 1.00 1.00 ATOM 75 CA GLY 58 16.870 48.978 25.313 1.00 1.00 ATOM 76 CA PHE 59 15.022 46.442 23.179 1.00 1.00 ATOM 77 CA GLN 60 15.368 43.299 21.106 1.00 1.00 ATOM 81 CA SER 61 18.593 39.255 8.292 1.00 1.00 ATOM 82 CA GLN 62 22.314 38.721 9.007 1.00 1.00 ATOM 83 CA SER 63 21.844 36.255 11.881 1.00 1.00 ATOM 84 CA ASP 64 19.573 33.556 13.303 1.00 1.00 ATOM 85 CA PRO 65 19.493 35.286 16.691 1.00 1.00 ATOM 86 CA GLU 66 18.277 38.838 17.296 1.00 1.00 ATOM 87 CA THR 67 20.247 41.813 18.627 1.00 1.00 ATOM 88 CA ALA 68 19.909 44.607 21.177 1.00 1.00 ATOM 89 CA TYR 69 19.463 48.304 20.508 1.00 1.00 ATOM 90 CA ILE 70 20.158 50.806 23.278 1.00 1.00 ATOM 91 CA HIS 71 17.562 53.476 22.464 1.00 1.00 ATOM 92 CA PHE 72 18.020 55.843 25.410 1.00 1.00 ATOM 93 CA SER 73 20.741 56.720 27.909 1.00 1.00 ATOM 94 CA GLY 74 20.687 59.534 30.472 1.00 1.00 ATOM 95 CA VAL 75 22.454 60.444 33.738 1.00 1.00 ATOM 96 CA HIS 76 21.642 63.365 36.106 1.00 1.00 ATOM 97 CA PRO 77 23.851 66.419 35.553 1.00 1.00 ATOM 98 CA ASP 78 24.995 66.317 39.187 1.00 1.00 ATOM 99 CA PHE 79 25.701 62.575 38.913 1.00 1.00 ATOM 100 CA ARG 80 27.828 62.654 35.760 1.00 1.00 ATOM 101 CA LYS 81 31.410 61.441 35.393 1.00 1.00 ATOM 102 CA MET 82 31.082 58.931 38.254 1.00 1.00 ATOM 103 CA GLN 83 30.854 55.805 36.100 1.00 1.00 ATOM 104 CA ILE 84 27.051 55.556 35.922 1.00 1.00 ATOM 105 CA GLY 85 26.915 55.854 32.140 1.00 1.00 ATOM 106 CA LYS 86 29.451 53.106 31.549 1.00 1.00 ATOM 107 CA GLN 87 27.792 50.858 34.148 1.00 1.00 ATOM 108 CA LEU 88 24.414 51.273 32.464 1.00 1.00 ATOM 109 CA TYR 89 25.923 50.181 29.126 1.00 1.00 ATOM 110 CA ASP 90 27.741 47.264 30.731 1.00 1.00 ATOM 111 CA VAL 91 24.457 46.151 32.313 1.00 1.00 ATOM 112 CA PHE 92 22.913 45.916 28.828 1.00 1.00 ATOM 113 CA ILE 93 26.020 44.019 27.683 1.00 1.00 ATOM 114 CA GLU 94 25.597 41.469 30.491 1.00 1.00 ATOM 115 CA THR 95 21.884 41.023 29.922 1.00 1.00 ATOM 116 CA VAL 96 22.460 40.727 26.167 1.00 1.00 ATOM 117 CA LYS 97 24.839 37.869 26.971 1.00 1.00 ATOM 118 CA GLN 98 22.299 36.126 29.245 1.00 1.00 ATOM 119 CA ARG 99 19.677 36.520 26.505 1.00 1.00 ATOM 120 CA GLY 100 21.948 34.908 23.929 1.00 1.00 ATOM 121 CA CYS 101 21.800 38.052 21.750 1.00 1.00 ATOM 122 CA THR 102 25.250 39.694 22.454 1.00 1.00 ATOM 123 CA ARG 103 25.131 42.015 19.457 1.00 1.00 ATOM 124 CA VAL 104 24.484 45.414 21.073 1.00 1.00 ATOM 125 CA LYS 105 24.466 48.776 19.279 1.00 1.00 ATOM 126 CA CYS 106 23.246 52.372 19.506 1.00 1.00 ATOM 127 CA VAL 107 23.626 55.769 17.850 1.00 1.00 ATOM 128 CA THR 108 24.407 59.252 19.111 1.00 1.00 ATOM 129 CA SER 109 24.256 62.683 17.489 1.00 1.00 ATOM 130 CA PRO 110 27.509 63.514 15.704 1.00 1.00 ATOM 131 CA VAL 111 27.668 66.665 17.827 1.00 1.00 ATOM 132 CA ASN 112 27.362 64.853 21.172 1.00 1.00 ATOM 133 CA LYS 113 31.043 64.717 22.102 1.00 1.00 ATOM 134 CA VAL 114 30.386 64.327 25.831 1.00 1.00 ATOM 135 CA SER 115 28.614 61.013 25.206 1.00 1.00 ATOM 136 CA ILE 116 31.149 59.844 22.635 1.00 1.00 ATOM 137 CA ALA 117 33.901 60.366 25.212 1.00 1.00 ATOM 138 CA TYR 118 32.447 57.249 26.845 1.00 1.00 ATOM 139 CA HIS 119 31.157 55.368 23.772 1.00 1.00 ATOM 140 CA THR 120 34.661 55.267 22.357 1.00 1.00 ATOM 141 CA LYS 121 35.743 53.307 25.469 1.00 1.00 ATOM 142 CA LEU 122 32.807 50.865 25.686 1.00 1.00 ATOM 143 CA GLY 123 32.325 50.391 21.956 1.00 1.00 ATOM 144 CA PHE 124 33.477 51.516 18.542 1.00 1.00 ATOM 145 CA ASP 125 32.209 53.865 15.837 1.00 1.00 ATOM 146 CA ILE 126 30.899 51.901 12.846 1.00 1.00 ATOM 147 CA GLU 127 31.757 53.366 9.384 1.00 1.00 ATOM 148 CA LYS 128 28.081 53.825 8.540 1.00 1.00 ATOM 149 CA GLY 129 25.633 56.570 7.574 1.00 1.00 ATOM 150 CA THR 130 22.039 56.567 8.800 1.00 1.00 TER END ################################ # # # END # # # ################################