From mailer@bialko.llnl.gov Mon Aug 19 22:07:08 2002 Date: Mon, 19 Aug 2002 22:07:03 -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 Mon Aug 19 21:38:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_518871_28445 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192SS389_1 Current information on models submitted in prediction T0192SS389 MODEL_INDEX PIN CODE DATE E-mail T0192SS389_1 PIN_518871_28445 1549-8716-6404 08/19/02 21:38:56 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192SS389_1 PIN_518871_28445 1549-8716-6404 08/19/02 21:38:56 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 T0192 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: 171 # Number of residues with nonzero confidence: 171 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0192 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0192.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0192.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0192.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 T0192.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0192 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 T0192.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 291 METHOD METHOD ============================================ METHOD Comments from T0192.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0192 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 T0192.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 291 METHOD METHOD ============================================ METHOD Comments from T0192.t2k.str.rdb METHOD ============================================ METHOD TARGET T0192 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 T0192.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 291 METHOD METHOD ============================================ MODEL 1 M C 0.96 A C 0.84 K C 0.55 F E 0.80 V E 0.89 I E 0.81 R E 0.61 P C 0.61 A C 0.89 T C 0.93 A H 0.64 A H 0.64 D H 0.73 C H 0.93 S H 0.95 D H 0.96 I H 0.97 L H 0.97 R H 0.97 L H 0.96 I H 0.96 K H 0.93 E H 0.89 L H 0.82 A H 0.68 K H 0.65 Y H 0.64 E H 0.54 Y C 0.52 M C 0.56 E C 0.56 E C 0.55 Q C 0.53 V H 0.50 I H 0.58 L H 0.65 T H 0.68 E H 0.82 K H 0.85 D H 0.85 L H 0.86 L H 0.88 E H 0.87 D H 0.85 G H 0.80 F H 0.73 G H 0.60 E C 0.54 H C 0.73 P C 0.76 F C 0.68 Y C 0.54 H E 0.48 C E 0.74 L E 0.80 V E 0.77 A E 0.69 E E 0.54 V C 0.45 P C 0.49 K E 0.42 E E 0.52 H E 0.65 W E 0.70 T E 0.71 P E 0.57 E C 0.48 G C 0.91 H C 0.92 S E 0.69 I E 0.92 V E 0.95 G E 0.98 F E 0.98 A E 0.98 M E 0.98 Y E 0.96 Y E 0.93 F E 0.83 T E 0.49 Y C 0.67 D C 0.75 P C 0.77 W C 0.77 I C 0.77 G C 0.83 K C 0.77 L E 0.56 L E 0.73 Y E 0.88 L E 0.89 E E 0.88 D E 0.87 F E 0.90 F E 0.93 V E 0.88 M C 0.60 S H 0.67 D H 0.65 Y H 0.73 R C 0.60 G C 0.77 F C 0.74 G C 0.73 I H 0.59 G H 0.84 S H 0.97 E H 0.97 I H 0.97 L H 0.98 K H 0.97 N H 0.97 L H 0.98 S H 0.97 Q H 0.97 V H 0.97 A H 0.97 M H 0.96 R H 0.87 C C 0.72 R C 0.98 C C 0.95 S C 0.69 S E 0.91 M E 0.96 H E 0.98 F E 0.96 L E 0.89 V E 0.73 A C 0.56 E C 0.74 W C 0.84 N C 0.82 E H 0.68 P H 0.84 S H 0.95 I H 0.97 N H 0.97 F H 0.97 Y H 0.96 K H 0.94 R H 0.84 R C 0.50 G C 0.95 A C 0.82 S E 0.64 D E 0.72 L E 0.71 S E 0.62 S E 0.63 E E 0.56 E C 0.57 G C 0.66 W C 0.48 R C 0.45 L C 0.60 F C 0.73 K C 0.79 I C 0.79 D C 0.78 K H 0.91 E H 0.94 Y H 0.95 L H 0.96 L H 0.95 K H 0.92 M H 0.86 A H 0.70 T H 0.51 E C 0.67 E C 0.93 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:36:08 2002 Date: Fri, 23 Aug 2002 16:36:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 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 Fri Aug 23 16:08:00 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_222986_32761 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS189_1 Current information on models submitted in prediction T0192TS189 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_1 PIN_222986_32761 5035-2079-5263 08/23/02 16:08:00 casp5@bialko.llnl.gov T0192TS189_3 PIN_197376_32755 5035-2079-5263 08/23/02 16:05:52 casp5@bialko.llnl.gov T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_1 PIN_222986_32761 5035-2079-5263 08/23/02 16:08:00 casp5@bialko.llnl.gov T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 casp5@bialko.llnl.gov T0192TS189_3 PIN_197376_32755 5035-2079-5263 08/23/02 16:05:52 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 T0192 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 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 A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue M 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue H 63 # IMPORTANT NOTE! Not complete main chain atoms for residue W 64 # IMPORTANT NOTE! Not complete main chain atoms for residue T 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue S 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 144 # Total number of atoms in model: 144 # Number of atoms with 1.0 occupancy: 144 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 144 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1I1D_A ATOM 4 CA MET 1 80.986 -7.557 22.632 1.00 1.00 ATOM 5 CA ALA 2 80.742 -10.752 24.694 1.00 1.00 ATOM 6 CA LYS 3 77.629 -10.621 26.860 1.00 1.00 ATOM 7 CA PHE 4 75.537 -8.581 24.418 1.00 1.00 ATOM 8 CA VAL 5 73.248 -9.897 21.710 1.00 1.00 ATOM 9 CA ILE 6 70.810 -8.351 19.261 1.00 1.00 ATOM 10 CA ARG 7 67.357 -9.640 18.441 1.00 1.00 ATOM 11 CA PRO 8 64.031 -8.544 17.103 1.00 1.00 ATOM 12 CA ALA 9 61.935 -6.499 19.551 1.00 1.00 ATOM 13 CA THR 10 59.255 -8.470 21.368 1.00 1.00 ATOM 14 CA ALA 11 55.996 -7.681 23.088 1.00 1.00 ATOM 15 CA ALA 12 57.615 -8.108 26.513 1.00 1.00 ATOM 16 CA ASP 13 60.070 -5.277 25.771 1.00 1.00 ATOM 17 CA CYS 14 57.572 -2.539 26.369 1.00 1.00 ATOM 18 CA SER 15 58.941 -1.208 29.573 1.00 1.00 ATOM 19 CA ASP 16 62.622 -1.240 28.644 1.00 1.00 ATOM 20 CA ILE 17 62.087 0.078 25.129 1.00 1.00 ATOM 21 CA LEU 18 59.909 3.000 26.257 1.00 1.00 ATOM 22 CA ARG 19 62.472 3.827 28.856 1.00 1.00 ATOM 23 CA LEU 20 65.226 3.740 26.273 1.00 1.00 ATOM 24 CA ILE 21 63.417 5.765 23.648 1.00 1.00 ATOM 25 CA LYS 22 62.578 8.484 26.193 1.00 1.00 ATOM 26 CA GLU 23 66.176 9.561 26.092 1.00 1.00 ATOM 27 CA LEU 24 65.727 10.279 22.382 1.00 1.00 ATOM 28 CA ALA 25 62.365 12.058 22.364 1.00 1.00 ATOM 29 CA LYS 26 58.747 12.100 23.581 1.00 1.00 ATOM 31 CA TYR 27 54.234 9.285 26.337 1.00 1.00 ATOM 32 CA GLU 28 51.610 6.820 27.486 1.00 1.00 ATOM 33 CA TYR 29 51.515 3.370 25.974 1.00 1.00 ATOM 34 CA MET 30 49.491 0.456 27.346 1.00 1.00 ATOM 35 CA GLU 31 50.522 -3.203 27.128 1.00 1.00 ATOM 36 CA GLU 32 47.376 -3.769 25.066 1.00 1.00 ATOM 37 CA GLN 33 48.267 -1.212 22.414 1.00 1.00 ATOM 38 CA VAL 34 51.943 -2.317 22.344 1.00 1.00 ATOM 39 CA ILE 35 50.720 -5.852 21.747 1.00 1.00 ATOM 40 CA LEU 36 48.859 -4.571 18.723 1.00 1.00 ATOM 41 CA THR 37 51.848 -2.602 17.444 1.00 1.00 ATOM 42 CA GLU 38 54.116 -5.633 17.686 1.00 1.00 ATOM 43 CA LYS 39 51.618 -7.785 15.714 1.00 1.00 ATOM 44 CA ASP 40 51.404 -5.159 12.984 1.00 1.00 ATOM 45 CA LEU 41 55.248 -4.890 12.816 1.00 1.00 ATOM 46 CA LEU 42 55.418 -8.669 12.784 1.00 1.00 ATOM 47 CA GLU 43 52.980 -9.069 9.932 1.00 1.00 ATOM 48 CA ASP 44 53.613 -6.238 7.472 1.00 1.00 ATOM 49 CA GLY 45 55.574 -7.601 4.499 1.00 1.00 ATOM 50 CA PHE 46 56.958 -5.949 1.378 1.00 1.00 ATOM 51 CA GLY 47 55.830 -7.556 -1.889 1.00 1.00 ATOM 52 CA GLU 48 58.683 -9.660 -3.232 1.00 1.00 ATOM 53 CA TYR 52 58.428 -11.707 -6.435 1.00 1.00 ATOM 57 CA HIS 53 62.273 -14.660 0.510 1.00 1.00 ATOM 58 CA CYS 54 60.030 -12.744 2.942 1.00 1.00 ATOM 59 CA LEU 55 60.714 -9.029 3.481 1.00 1.00 ATOM 60 CA VAL 56 59.384 -7.570 6.786 1.00 1.00 ATOM 61 CA ALA 57 58.614 -3.881 6.326 1.00 1.00 ATOM 62 CA GLU 58 59.607 -3.261 9.988 1.00 1.00 ATOM 63 CA VAL 59 62.732 -4.634 11.623 1.00 1.00 ATOM 64 CA PRO 60 62.806 -3.375 15.237 1.00 1.00 ATOM 65 CA LYS 61 65.908 -4.507 17.020 1.00 1.00 ATOM 66 CA GLU 62 67.100 -4.397 20.595 1.00 1.00 ATOM 67 CA HIS 63 70.647 -5.018 21.822 1.00 1.00 ATOM 68 CA TRP 64 70.435 -6.748 25.248 1.00 1.00 ATOM 69 CA THR 65 73.053 -6.922 28.017 1.00 1.00 ATOM 70 CA PRO 66 72.324 -10.560 28.957 1.00 1.00 ATOM 71 CA GLU 67 73.819 -10.261 32.485 1.00 1.00 ATOM 72 CA GLY 68 71.035 -7.942 33.613 1.00 1.00 ATOM 73 CA HIS 69 68.530 -8.660 30.802 1.00 1.00 ATOM 74 CA SER 70 68.702 -4.896 30.127 1.00 1.00 ATOM 75 CA ILE 71 68.008 -3.255 26.761 1.00 1.00 ATOM 76 CA VAL 72 71.161 -1.320 25.965 1.00 1.00 ATOM 77 CA GLY 73 69.952 0.087 22.652 1.00 1.00 ATOM 78 CA PHE 74 67.198 -0.073 20.072 1.00 1.00 ATOM 79 CA ALA 75 66.956 0.918 16.386 1.00 1.00 ATOM 80 CA MET 76 64.733 0.003 13.461 1.00 1.00 ATOM 81 CA TYR 77 64.947 -0.215 9.687 1.00 1.00 ATOM 82 CA TYR 78 61.821 0.279 7.584 1.00 1.00 ATOM 83 CA PHE 79 61.750 -1.137 4.041 1.00 1.00 ATOM 84 CA THR 80 60.080 0.737 1.166 1.00 1.00 ATOM 85 CA TYR 81 59.458 -0.466 -2.377 1.00 1.00 ATOM 86 CA ASP 82 59.766 2.252 -5.074 1.00 1.00 ATOM 87 CA PRO 83 59.486 2.461 -8.855 1.00 1.00 ATOM 88 CA TRP 84 62.918 3.993 -9.421 1.00 1.00 ATOM 91 CA ILE 85 61.266 -1.306 -8.535 1.00 1.00 ATOM 92 CA GLY 86 64.109 -0.782 -6.012 1.00 1.00 ATOM 93 CA LYS 87 64.018 -1.212 -2.268 1.00 1.00 ATOM 94 CA LEU 88 65.058 1.594 0.009 1.00 1.00 ATOM 95 CA LEU 89 65.809 1.095 3.715 1.00 1.00 ATOM 96 CA TYR 90 64.970 3.855 6.246 1.00 1.00 ATOM 97 CA LEU 91 66.887 3.554 9.555 1.00 1.00 ATOM 98 CA GLU 92 64.863 5.123 12.362 1.00 1.00 ATOM 99 CA ASP 93 64.631 5.649 16.074 1.00 1.00 ATOM 100 CA PHE 94 68.188 4.897 17.125 1.00 1.00 ATOM 101 CA PHE 95 68.680 5.222 20.912 1.00 1.00 ATOM 102 CA VAL 96 71.501 3.910 23.064 1.00 1.00 ATOM 103 CA MET 97 71.083 4.195 26.828 1.00 1.00 ATOM 104 CA SER 98 73.598 6.502 28.473 1.00 1.00 ATOM 105 CA ASP 99 75.153 3.793 30.640 1.00 1.00 ATOM 106 CA TYR 100 75.916 1.827 27.473 1.00 1.00 ATOM 107 CA ARG 101 77.297 4.532 25.197 1.00 1.00 ATOM 108 CA GLY 102 80.968 4.768 24.178 1.00 1.00 ATOM 109 CA PHE 103 81.292 1.008 23.957 1.00 1.00 ATOM 110 CA GLY 104 80.749 0.584 20.216 1.00 1.00 ATOM 111 CA ILE 105 77.152 -0.574 20.528 1.00 1.00 ATOM 112 CA GLY 106 75.647 2.218 18.481 1.00 1.00 ATOM 113 CA SER 107 77.941 1.437 15.551 1.00 1.00 ATOM 114 CA GLU 108 77.257 -2.289 15.817 1.00 1.00 ATOM 115 CA ILE 109 73.510 -1.602 15.926 1.00 1.00 ATOM 116 CA LEU 110 73.699 0.535 12.734 1.00 1.00 ATOM 117 CA LYS 111 75.892 -2.135 11.124 1.00 1.00 ATOM 118 CA ASN 112 73.302 -4.806 11.843 1.00 1.00 ATOM 119 CA LEU 113 70.474 -2.638 10.492 1.00 1.00 ATOM 120 CA SER 114 72.430 -1.926 7.336 1.00 1.00 ATOM 121 CA GLN 115 73.074 -5.638 6.919 1.00 1.00 ATOM 122 CA VAL 116 69.381 -6.357 7.268 1.00 1.00 ATOM 123 CA ALA 117 68.689 -3.830 4.570 1.00 1.00 ATOM 124 CA MET 118 71.299 -4.958 2.091 1.00 1.00 ATOM 125 CA ARG 119 70.346 -8.625 2.663 1.00 1.00 ATOM 126 CA CYS 120 66.797 -7.731 1.612 1.00 1.00 ATOM 127 CA ARG 121 68.199 -6.191 -1.555 1.00 1.00 ATOM 128 CA CYS 122 68.023 -2.492 -0.723 1.00 1.00 ATOM 129 CA SER 123 69.964 -0.374 -3.279 1.00 1.00 ATOM 130 CA SER 124 70.392 2.264 -0.564 1.00 1.00 ATOM 131 CA MET 125 69.774 2.834 3.119 1.00 1.00 ATOM 132 CA HIS 126 69.162 6.329 4.443 1.00 1.00 ATOM 133 CA PHE 127 68.471 8.037 7.803 1.00 1.00 ATOM 134 CA LEU 128 68.216 11.605 9.140 1.00 1.00 ATOM 135 CA VAL 129 70.358 12.741 12.089 1.00 1.00 ATOM 136 CA ALA 130 71.111 15.889 14.059 1.00 1.00 ATOM 137 CA GLU 131 74.164 17.705 12.871 1.00 1.00 ATOM 138 CA TRP 132 76.029 16.731 16.018 1.00 1.00 ATOM 139 CA ASN 133 75.696 13.043 15.199 1.00 1.00 ATOM 140 CA ILE 137 77.023 13.266 11.629 1.00 1.00 ATOM 141 CA ASN 138 80.555 12.154 12.601 1.00 1.00 ATOM 142 CA PHE 139 79.262 9.014 14.309 1.00 1.00 ATOM 143 CA TYR 140 77.283 8.122 11.172 1.00 1.00 ATOM 144 CA LYS 141 80.269 8.765 8.881 1.00 1.00 ATOM 145 CA ARG 142 82.169 6.278 11.102 1.00 1.00 ATOM 146 CA ARG 143 79.352 3.746 10.370 1.00 1.00 ATOM 147 CA GLY 144 80.010 4.203 6.636 1.00 1.00 ATOM 148 CA ALA 145 77.331 6.783 5.843 1.00 1.00 ATOM 149 CA SER 146 77.890 9.974 3.850 1.00 1.00 ATOM 150 CA ASP 147 76.084 13.341 3.891 1.00 1.00 ATOM 151 CA LEU 148 73.385 13.162 1.160 1.00 1.00 ATOM 152 CA SER 149 71.002 16.022 1.739 1.00 1.00 ATOM 153 CA SER 150 68.892 18.064 4.124 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:28:19 2002 Date: Fri, 23 Aug 2002 16:28:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 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 Fri Aug 23 16:00:21 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_144728_32738 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS189_2 Current information on models submitted in prediction T0192TS189 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 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 T0192 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 A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue M 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 64 # IMPORTANT NOTE! Not complete main chain atoms for residue T 65 # IMPORTANT NOTE! Not complete main chain atoms for residue P 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 139 # Total number of atoms in model: 139 # Number of atoms with 1.0 occupancy: 139 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 139 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1QSM_A ATOM 7 CA ALA 2 31.686 52.138 43.888 1.00 1.00 ATOM 8 CA LYS 3 28.413 53.562 45.249 1.00 1.00 ATOM 9 CA PHE 4 26.490 53.158 41.979 1.00 1.00 ATOM 10 CA VAL 5 24.628 49.992 41.005 1.00 1.00 ATOM 11 CA ILE 6 22.364 49.191 38.056 1.00 1.00 ATOM 12 CA ARG 7 19.203 47.078 37.927 1.00 1.00 ATOM 13 CA PRO 8 16.018 46.587 35.928 1.00 1.00 ATOM 14 CA ALA 9 13.110 48.927 36.673 1.00 1.00 ATOM 15 CA THR 10 10.311 48.106 39.107 1.00 1.00 ATOM 16 CA ALA 11 6.795 49.577 39.341 1.00 1.00 ATOM 17 CA ALA 12 8.205 51.679 42.181 1.00 1.00 ATOM 18 CA ASP 13 10.896 53.118 39.903 1.00 1.00 ATOM 19 CA CYS 14 8.414 54.991 37.693 1.00 1.00 ATOM 20 CA SER 15 8.538 58.403 39.354 1.00 1.00 ATOM 21 CA ASP 16 12.335 58.404 39.106 1.00 1.00 ATOM 22 CA ILE 17 12.506 57.028 35.577 1.00 1.00 ATOM 23 CA LEU 18 9.872 59.469 34.282 1.00 1.00 ATOM 24 CA ARG 19 11.775 62.464 35.717 1.00 1.00 ATOM 25 CA LEU 20 14.960 61.401 33.895 1.00 1.00 ATOM 26 CA ILE 21 12.813 60.663 30.830 1.00 1.00 ATOM 27 CA LYS 22 11.552 64.272 30.902 1.00 1.00 ATOM 28 CA GLU 23 15.088 65.658 31.371 1.00 1.00 ATOM 29 CA LEU 24 16.282 63.396 28.551 1.00 1.00 ATOM 30 CA ALA 25 13.565 64.943 26.379 1.00 1.00 ATOM 31 CA LYS 26 14.744 68.462 27.289 1.00 1.00 ATOM 32 CA TYR 27 18.276 67.498 26.281 1.00 1.00 ATOM 33 CA GLU 28 17.014 66.350 22.891 1.00 1.00 ATOM 34 CA TYR 29 14.859 69.492 22.567 1.00 1.00 ATOM 35 CA MET 30 11.820 67.247 21.992 1.00 1.00 ATOM 36 CA GLU 31 8.546 66.604 23.791 1.00 1.00 ATOM 37 CA GLU 32 6.563 63.342 23.871 1.00 1.00 ATOM 38 CA GLN 33 2.958 62.950 25.120 1.00 1.00 ATOM 39 CA VAL 34 2.728 61.690 28.727 1.00 1.00 ATOM 40 CA ILE 35 0.825 58.647 27.440 1.00 1.00 ATOM 41 CA LEU 36 4.026 57.432 25.779 1.00 1.00 ATOM 42 CA THR 37 5.784 57.402 29.148 1.00 1.00 ATOM 43 CA GLU 38 3.186 54.902 30.420 1.00 1.00 ATOM 44 CA LYS 39 3.350 52.792 27.267 1.00 1.00 ATOM 45 CA ASP 40 7.131 52.592 27.516 1.00 1.00 ATOM 46 CA LEU 41 7.026 51.684 31.195 1.00 1.00 ATOM 47 CA LEU 42 4.299 49.174 30.418 1.00 1.00 ATOM 48 CA GLU 43 6.477 47.413 27.832 1.00 1.00 ATOM 49 CA ASP 44 9.390 47.398 30.320 1.00 1.00 ATOM 50 CA GLY 45 7.351 45.618 32.996 1.00 1.00 ATOM 51 CA HIS 49 5.734 43.155 30.580 1.00 1.00 ATOM 52 CA PRO 50 8.073 40.142 30.614 1.00 1.00 ATOM 53 CA PHE 51 6.667 39.008 27.261 1.00 1.00 ATOM 54 CA TYR 52 7.637 42.172 25.424 1.00 1.00 ATOM 55 CA HIS 53 11.359 42.291 24.746 1.00 1.00 ATOM 56 CA CYS 54 11.760 45.940 25.727 1.00 1.00 ATOM 57 CA LEU 55 13.635 46.639 28.952 1.00 1.00 ATOM 58 CA VAL 56 14.821 49.507 31.134 1.00 1.00 ATOM 59 CA ALA 57 17.398 49.755 33.877 1.00 1.00 ATOM 60 CA GLU 58 18.273 52.454 36.403 1.00 1.00 ATOM 61 CA VAL 59 21.578 53.570 37.921 1.00 1.00 ATOM 62 CA TRP 64 20.898 53.679 41.648 1.00 1.00 ATOM 63 CA THR 65 22.936 55.529 44.234 1.00 1.00 ATOM 64 CA PRO 66 23.603 52.978 46.987 1.00 1.00 ATOM 65 CA GLU 67 23.869 55.568 49.798 1.00 1.00 ATOM 66 CA GLY 68 20.311 56.728 49.159 1.00 1.00 ATOM 67 CA HIS 69 18.209 54.742 46.678 1.00 1.00 ATOM 68 CA SER 70 18.223 57.843 44.447 1.00 1.00 ATOM 69 CA ILE 71 17.797 57.010 40.756 1.00 1.00 ATOM 70 CA VAL 72 20.489 58.904 38.849 1.00 1.00 ATOM 71 CA GLY 73 20.624 57.051 35.539 1.00 1.00 ATOM 72 CA PHE 74 18.373 55.580 32.870 1.00 1.00 ATOM 73 CA ALA 75 18.915 53.209 29.940 1.00 1.00 ATOM 74 CA MET 76 16.186 51.907 27.631 1.00 1.00 ATOM 75 CA TYR 77 16.870 48.978 25.313 1.00 1.00 ATOM 76 CA TYR 78 15.022 46.442 23.179 1.00 1.00 ATOM 77 CA PHE 79 15.368 43.299 21.106 1.00 1.00 ATOM 78 CA THR 80 14.806 43.104 17.343 1.00 1.00 ATOM 79 CA TYR 81 15.530 40.914 14.311 1.00 1.00 ATOM 80 CA ASP 82 18.269 40.916 11.694 1.00 1.00 ATOM 81 CA PRO 83 18.593 39.255 8.292 1.00 1.00 ATOM 82 CA TRP 84 22.314 38.721 9.007 1.00 1.00 ATOM 83 CA ILE 85 21.844 36.255 11.881 1.00 1.00 ATOM 84 CA GLY 86 19.573 33.556 13.303 1.00 1.00 ATOM 85 CA LYS 87 19.493 35.286 16.691 1.00 1.00 ATOM 87 CA LEU 88 20.247 41.813 18.627 1.00 1.00 ATOM 88 CA LEU 89 19.909 44.607 21.177 1.00 1.00 ATOM 89 CA TYR 90 19.463 48.304 20.508 1.00 1.00 ATOM 90 CA LEU 91 20.158 50.806 23.278 1.00 1.00 ATOM 91 CA GLU 92 17.562 53.476 22.464 1.00 1.00 ATOM 92 CA ASP 93 18.020 55.843 25.410 1.00 1.00 ATOM 93 CA PHE 94 20.741 56.720 27.909 1.00 1.00 ATOM 94 CA PHE 95 20.687 59.534 30.472 1.00 1.00 ATOM 95 CA VAL 96 22.454 60.444 33.738 1.00 1.00 ATOM 96 CA MET 97 21.642 63.365 36.106 1.00 1.00 ATOM 97 CA SER 98 23.851 66.419 35.553 1.00 1.00 ATOM 98 CA ASP 99 24.995 66.317 39.187 1.00 1.00 ATOM 99 CA TYR 100 25.701 62.575 38.913 1.00 1.00 ATOM 100 CA ARG 101 27.828 62.654 35.760 1.00 1.00 ATOM 101 CA GLY 102 31.410 61.441 35.393 1.00 1.00 ATOM 102 CA PHE 103 31.082 58.931 38.254 1.00 1.00 ATOM 103 CA GLY 104 30.854 55.805 36.100 1.00 1.00 ATOM 104 CA ILE 105 27.051 55.556 35.922 1.00 1.00 ATOM 105 CA GLY 106 26.915 55.854 32.140 1.00 1.00 ATOM 106 CA SER 107 29.451 53.106 31.549 1.00 1.00 ATOM 107 CA GLU 108 27.792 50.858 34.148 1.00 1.00 ATOM 108 CA ILE 109 24.414 51.273 32.464 1.00 1.00 ATOM 109 CA LEU 110 25.923 50.181 29.126 1.00 1.00 ATOM 110 CA LYS 111 27.741 47.264 30.731 1.00 1.00 ATOM 111 CA ASN 112 24.457 46.151 32.313 1.00 1.00 ATOM 112 CA LEU 113 22.913 45.916 28.828 1.00 1.00 ATOM 113 CA SER 114 26.020 44.019 27.683 1.00 1.00 ATOM 114 CA GLN 115 25.597 41.469 30.491 1.00 1.00 ATOM 115 CA VAL 116 21.884 41.023 29.922 1.00 1.00 ATOM 116 CA ALA 117 22.460 40.727 26.167 1.00 1.00 ATOM 117 CA MET 118 24.839 37.869 26.971 1.00 1.00 ATOM 118 CA ARG 119 22.299 36.126 29.245 1.00 1.00 ATOM 119 CA CYS 120 19.677 36.520 26.505 1.00 1.00 ATOM 120 CA ARG 121 21.948 34.908 23.929 1.00 1.00 ATOM 121 CA CYS 122 21.800 38.052 21.750 1.00 1.00 ATOM 122 CA SER 123 25.250 39.694 22.454 1.00 1.00 ATOM 123 CA SER 124 25.131 42.015 19.457 1.00 1.00 ATOM 124 CA MET 125 24.484 45.414 21.073 1.00 1.00 ATOM 125 CA HIS 126 24.466 48.776 19.279 1.00 1.00 ATOM 126 CA PHE 127 23.246 52.372 19.506 1.00 1.00 ATOM 127 CA LEU 128 23.626 55.769 17.850 1.00 1.00 ATOM 128 CA VAL 129 24.407 59.252 19.111 1.00 1.00 ATOM 129 CA ALA 130 24.256 62.683 17.489 1.00 1.00 ATOM 130 CA GLU 131 27.509 63.514 15.704 1.00 1.00 ATOM 131 CA TRP 132 27.668 66.665 17.827 1.00 1.00 ATOM 132 CA ASN 133 27.362 64.853 21.172 1.00 1.00 ATOM 133 CA GLU 134 31.043 64.717 22.102 1.00 1.00 ATOM 134 CA PRO 135 30.386 64.327 25.831 1.00 1.00 ATOM 135 CA SER 136 28.614 61.013 25.206 1.00 1.00 ATOM 136 CA ILE 137 31.149 59.844 22.635 1.00 1.00 ATOM 137 CA ASN 138 33.901 60.366 25.212 1.00 1.00 ATOM 138 CA PHE 139 32.447 57.249 26.845 1.00 1.00 ATOM 139 CA TYR 140 31.157 55.368 23.772 1.00 1.00 ATOM 140 CA LYS 141 34.661 55.267 22.357 1.00 1.00 ATOM 141 CA ARG 142 35.743 53.307 25.469 1.00 1.00 ATOM 142 CA ARG 143 32.807 50.865 25.686 1.00 1.00 ATOM 143 CA GLY 144 32.325 50.391 21.956 1.00 1.00 ATOM 144 CA ALA 145 33.477 51.516 18.542 1.00 1.00 ATOM 145 CA SER 146 32.209 53.865 15.837 1.00 1.00 ATOM 146 CA ASP 147 30.899 51.901 12.846 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:34:07 2002 Date: Fri, 23 Aug 2002 16:34:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 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 Fri Aug 23 16:05:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_197376_32755 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS189_3 Current information on models submitted in prediction T0192TS189 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_3 PIN_197376_32755 5035-2079-5263 08/23/02 16:05:52 casp5@bialko.llnl.gov T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS189_2 PIN_144728_32738 5035-2079-5263 08/23/02 16:00:21 casp5@bialko.llnl.gov T0192TS189_3 PIN_197376_32755 5035-2079-5263 08/23/02 16:05:52 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 T0192 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1BO4_A # Loading PARENT structure: 1bo4 (chain: A) # Number of residues in PARENT structure: 137 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue M 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # 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 P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 132 # Total number of atoms in model: 132 # Number of atoms with 1.0 occupancy: 132 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 132 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1BO4_A ATOM 29 CA LYS 3 15.005 86.961 43.263 1.00 1.00 ATOM 30 CA PHE 4 15.563 84.642 46.191 1.00 1.00 ATOM 31 CA VAL 5 15.538 81.033 47.313 1.00 1.00 ATOM 32 CA ILE 6 12.276 80.115 49.017 1.00 1.00 ATOM 33 CA ARG 7 12.503 78.609 52.491 1.00 1.00 ATOM 34 CA PRO 8 9.939 76.737 54.674 1.00 1.00 ATOM 35 CA ALA 9 8.843 80.186 55.826 1.00 1.00 ATOM 36 CA THR 10 7.758 81.109 52.305 1.00 1.00 ATOM 37 CA ALA 11 5.213 78.407 51.563 1.00 1.00 ATOM 38 CA ALA 12 2.863 81.120 50.255 1.00 1.00 ATOM 39 CA ASP 13 5.250 82.265 47.537 1.00 1.00 ATOM 40 CA CYS 14 5.978 78.629 46.762 1.00 1.00 ATOM 41 CA SER 15 2.270 78.186 46.087 1.00 1.00 ATOM 42 CA ASP 16 2.264 81.366 44.012 1.00 1.00 ATOM 43 CA ILE 17 5.175 79.934 42.043 1.00 1.00 ATOM 44 CA LEU 18 3.145 76.774 41.466 1.00 1.00 ATOM 45 CA ARG 19 0.251 78.821 40.043 1.00 1.00 ATOM 46 CA LEU 20 2.696 80.560 37.679 1.00 1.00 ATOM 47 CA ILE 21 3.868 77.145 36.479 1.00 1.00 ATOM 48 CA LYS 22 0.246 76.187 35.878 1.00 1.00 ATOM 49 CA GLU 23 -0.431 79.277 33.776 1.00 1.00 ATOM 50 CA LEU 24 2.779 79.240 31.743 1.00 1.00 ATOM 51 CA ALA 25 2.533 75.500 31.013 1.00 1.00 ATOM 52 CA LYS 26 -1.143 75.653 30.052 1.00 1.00 ATOM 53 CA TYR 27 -2.003 73.162 32.776 1.00 1.00 ATOM 54 CA GLU 28 -3.549 75.110 35.634 1.00 1.00 ATOM 55 CA TYR 29 -5.284 72.053 37.096 1.00 1.00 ATOM 56 CA MET 30 -2.035 70.106 37.469 1.00 1.00 ATOM 57 CA GLU 31 -0.176 72.868 39.341 1.00 1.00 ATOM 58 CA GLU 32 -2.908 74.642 41.218 1.00 1.00 ATOM 59 CA GLN 33 -5.720 72.209 41.947 1.00 1.00 ATOM 60 CA VAL 34 -3.822 69.468 43.734 1.00 1.00 ATOM 61 CA ILE 35 -1.059 71.236 45.642 1.00 1.00 ATOM 62 CA LEU 36 0.314 69.343 48.651 1.00 1.00 ATOM 63 CA THR 37 -0.467 70.610 52.160 1.00 1.00 ATOM 64 CA GLU 38 1.804 73.056 53.997 1.00 1.00 ATOM 65 CA LYS 39 3.521 70.491 56.164 1.00 1.00 ATOM 66 CA ASP 40 4.603 68.689 53.008 1.00 1.00 ATOM 67 CA LEU 41 5.650 71.858 51.209 1.00 1.00 ATOM 68 CA LEU 42 7.459 73.048 54.329 1.00 1.00 ATOM 69 CA GLU 43 9.416 69.793 54.600 1.00 1.00 ATOM 70 CA ASP 44 10.289 69.903 50.920 1.00 1.00 ATOM 71 CA GLY 45 11.547 73.502 51.174 1.00 1.00 ATOM 72 CA GLU 48 13.454 72.492 54.294 1.00 1.00 ATOM 73 CA HIS 49 15.449 69.769 52.509 1.00 1.00 ATOM 74 CA PRO 50 18.826 70.376 50.912 1.00 1.00 ATOM 75 CA PHE 51 18.068 68.255 47.853 1.00 1.00 ATOM 76 CA TYR 52 15.259 70.487 46.576 1.00 1.00 ATOM 77 CA HIS 53 15.604 74.085 45.449 1.00 1.00 ATOM 78 CA CYS 54 12.819 76.566 44.769 1.00 1.00 ATOM 79 CA LEU 55 13.719 79.942 43.285 1.00 1.00 ATOM 80 CA VAL 56 11.280 82.778 42.655 1.00 1.00 ATOM 81 CA ALA 57 11.508 86.173 40.977 1.00 1.00 ATOM 82 CA GLU 58 9.283 89.001 42.196 1.00 1.00 ATOM 83 CA VAL 59 7.882 92.075 40.479 1.00 1.00 ATOM 84 CA GLY 68 5.980 94.428 42.805 1.00 1.00 ATOM 85 CA HIS 69 6.025 91.574 45.299 1.00 1.00 ATOM 86 CA SER 70 4.191 89.188 42.955 1.00 1.00 ATOM 87 CA ILE 71 5.789 85.986 41.659 1.00 1.00 ATOM 88 CA VAL 72 6.812 86.543 38.034 1.00 1.00 ATOM 89 CA GLY 73 9.348 83.741 37.621 1.00 1.00 ATOM 90 CA PHE 74 9.945 80.391 39.293 1.00 1.00 ATOM 91 CA ALA 75 12.609 77.718 39.213 1.00 1.00 ATOM 92 CA MET 76 12.289 74.237 40.717 1.00 1.00 ATOM 93 CA TYR 77 15.357 72.005 40.854 1.00 1.00 ATOM 94 CA TYR 78 16.517 68.789 42.485 1.00 1.00 ATOM 95 CA PHE 79 19.957 68.030 43.861 1.00 1.00 ATOM 96 CA THR 80 20.997 64.453 43.245 1.00 1.00 ATOM 97 CA TYR 81 23.444 63.191 45.819 1.00 1.00 ATOM 98 CA ASP 82 25.419 60.694 43.702 1.00 1.00 ATOM 99 CA PRO 83 26.267 57.030 44.529 1.00 1.00 ATOM 100 CA TRP 84 29.338 56.562 42.349 1.00 1.00 ATOM 101 CA ILE 85 31.228 59.461 43.966 1.00 1.00 ATOM 102 CA GLY 86 30.735 61.954 46.850 1.00 1.00 ATOM 103 CA LYS 87 29.412 64.651 44.527 1.00 1.00 ATOM 105 CA LEU 88 24.186 67.058 40.356 1.00 1.00 ATOM 106 CA LEU 89 21.438 69.655 39.947 1.00 1.00 ATOM 107 CA TYR 90 18.528 69.164 37.555 1.00 1.00 ATOM 108 CA LEU 91 16.178 72.036 36.815 1.00 1.00 ATOM 109 CA GLU 92 12.813 70.317 36.675 1.00 1.00 ATOM 110 CA ASP 93 10.546 73.346 36.107 1.00 1.00 ATOM 111 CA PHE 94 11.428 76.872 34.981 1.00 1.00 ATOM 112 CA PHE 95 8.898 79.487 33.826 1.00 1.00 ATOM 113 CA VAL 96 8.482 83.254 33.523 1.00 1.00 ATOM 114 CA MET 97 5.288 85.320 33.344 1.00 1.00 ATOM 115 CA SER 98 4.112 85.772 29.759 1.00 1.00 ATOM 116 CA ASP 99 4.036 89.484 30.528 1.00 1.00 ATOM 117 CA TYR 100 7.682 89.532 31.571 1.00 1.00 ATOM 118 CA ARG 101 9.412 87.470 28.871 1.00 1.00 ATOM 119 CA GLY 102 12.737 88.475 27.308 1.00 1.00 ATOM 120 CA PHE 103 13.653 90.558 30.378 1.00 1.00 ATOM 121 CA GLY 104 16.395 88.316 31.747 1.00 1.00 ATOM 122 CA ILE 105 14.301 86.815 34.548 1.00 1.00 ATOM 123 CA GLY 106 14.963 83.160 33.774 1.00 1.00 ATOM 124 CA SER 107 18.611 84.168 33.403 1.00 1.00 ATOM 125 CA GLU 108 18.488 85.777 36.848 1.00 1.00 ATOM 126 CA ILE 109 16.918 82.677 38.433 1.00 1.00 ATOM 127 CA LEU 110 19.561 80.468 36.862 1.00 1.00 ATOM 128 CA LYS 111 22.393 82.710 38.078 1.00 1.00 ATOM 129 CA ASN 112 21.000 82.495 41.606 1.00 1.00 ATOM 130 CA LEU 113 20.775 78.734 41.047 1.00 1.00 ATOM 131 CA SER 114 24.484 78.674 40.180 1.00 1.00 ATOM 132 CA GLN 115 25.108 80.570 43.412 1.00 1.00 ATOM 133 CA VAL 116 23.181 77.874 45.280 1.00 1.00 ATOM 134 CA ALA 117 25.002 75.069 43.455 1.00 1.00 ATOM 135 CA MET 118 28.407 76.459 44.375 1.00 1.00 ATOM 136 CA ARG 119 27.474 76.793 48.052 1.00 1.00 ATOM 137 CA CYS 120 25.946 73.332 47.897 1.00 1.00 ATOM 138 CA ARG 121 28.973 71.911 46.109 1.00 1.00 ATOM 139 CA CYS 122 27.126 70.590 43.044 1.00 1.00 ATOM 140 CA SER 123 29.549 70.174 40.148 1.00 1.00 ATOM 141 CA SER 124 26.946 70.391 37.354 1.00 1.00 ATOM 142 CA MET 125 23.474 71.678 36.456 1.00 1.00 ATOM 143 CA HIS 126 21.100 70.208 33.865 1.00 1.00 ATOM 144 CA PHE 127 18.256 72.130 32.229 1.00 1.00 ATOM 145 CA LEU 128 15.245 71.206 30.085 1.00 1.00 ATOM 146 CA VAL 129 16.086 70.750 26.379 1.00 1.00 ATOM 147 CA ALA 130 12.414 71.678 26.218 1.00 1.00 ATOM 148 CA GLU 131 9.867 71.605 23.433 1.00 1.00 ATOM 149 CA TRP 132 7.512 71.285 26.367 1.00 1.00 ATOM 150 CA ASN 133 5.096 68.904 24.655 1.00 1.00 ATOM 151 CA GLU 134 7.251 66.122 26.128 1.00 1.00 ATOM 152 CA PRO 135 4.588 63.755 27.546 1.00 1.00 ATOM 153 CA SER 136 6.585 60.567 28.125 1.00 1.00 ATOM 154 CA ILE 137 9.929 62.134 27.247 1.00 1.00 ATOM 155 CA ASN 138 12.158 64.408 29.324 1.00 1.00 ATOM 156 CA PHE 139 15.409 65.649 27.844 1.00 1.00 ATOM 157 CA TYR 140 18.039 67.592 29.746 1.00 1.00 ATOM 158 CA LYS 141 21.121 69.455 28.598 1.00 1.00 ATOM 159 CA ARG 142 24.180 70.343 30.621 1.00 1.00 ATOM 160 CA ARG 143 24.321 73.948 31.745 1.00 1.00 ATOM 161 CA GLY 144 27.275 73.013 33.926 1.00 1.00 TER END ################################ # # # END # # # ################################