From mailer@bialko.llnl.gov Tue Jul 16 19:07:29 2002 Date: Tue, 16 Jul 2002 19:07:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:40:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_520174_12209 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153SS389_1 Current information on models submitted in prediction T0153SS389 MODEL_INDEX PIN CODE DATE E-mail T0153SS389_1 PIN_520174_12209 1549-8716-6404 07/16/02 18:40:33 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153SS389_1 PIN_520174_12209 1549-8716-6404 07/16/02 18:40:33 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 T0153 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: 154 # Number of residues with nonzero confidence: 154 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0153 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0153.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0153.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0153.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 T0153.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0153 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 T0153.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 233 METHOD METHOD ============================================ METHOD Comments from T0153.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0153 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 T0153.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 233 METHOD METHOD ============================================ METHOD Comments from T0153.t2k.str.rdb METHOD ============================================ METHOD TARGET T0153 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 T0153.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 233 METHOD METHOD ============================================ MODEL 1 M C 0.97 S C 0.82 T C 0.56 T E 0.65 L E 0.78 A E 0.84 I E 0.83 V E 0.75 R E 0.65 L C 0.58 D C 0.82 P C 0.87 G C 0.86 L C 0.79 P C 0.73 L C 0.74 P C 0.78 S C 0.72 R C 0.75 A C 0.82 H C 0.86 D C 0.75 G C 0.76 D C 0.69 A C 0.73 G C 0.74 V C 0.47 D E 0.62 L E 0.67 Y E 0.62 S E 0.48 A C 0.58 E C 0.60 D E 0.60 V E 0.79 E E 0.83 L E 0.72 A C 0.80 P C 0.92 G C 0.94 R C 0.73 R E 0.67 A E 0.91 L E 0.92 V E 0.82 R E 0.55 T C 0.63 G C 0.66 V E 0.50 A E 0.74 V E 0.72 A E 0.62 V C 0.68 P C 0.90 F C 0.93 G C 0.93 M C 0.53 V E 0.82 G E 0.90 L E 0.92 V E 0.89 H E 0.69 P C 0.56 R C 0.68 S C 0.56 G H 0.60 L H 0.81 A H 0.80 T H 0.78 R H 0.70 V C 0.58 G C 0.89 L C 0.70 S E 0.74 I E 0.79 V E 0.63 N C 0.63 S C 0.79 P C 0.75 G C 0.50 T E 0.69 I E 0.79 D C 0.66 A C 0.93 G C 0.94 Y C 0.83 R C 0.82 G E 0.56 E E 0.84 I E 0.94 K E 0.97 V E 0.98 A E 0.98 L E 0.98 I E 0.93 N E 0.67 L C 0.81 D C 0.86 P C 0.85 A C 0.82 A C 0.65 P E 0.54 I E 0.78 V E 0.88 V E 0.74 H C 0.71 R C 0.91 G C 0.93 D C 0.73 R E 0.63 I E 0.84 A E 0.89 Q E 0.92 L E 0.94 L E 0.93 V E 0.90 Q E 0.78 R E 0.67 V E 0.54 E C 0.60 L C 0.78 V C 0.77 E C 0.73 L C 0.59 V C 0.54 E C 0.51 V C 0.49 S C 0.48 S C 0.50 F C 0.55 D C 0.58 E H 0.50 A H 0.49 G C 0.54 L C 0.65 A C 0.72 S C 0.75 T C 0.74 S C 0.72 R C 0.74 G C 0.82 D C 0.83 G C 0.87 G C 0.86 H C 0.85 G C 0.83 S C 0.82 S C 0.82 G C 0.77 G C 0.75 H C 0.67 A C 0.64 S C 0.75 L C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:57:07 2002 Date: Tue, 30 Jul 2002 05:57:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:29:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_418493_17384 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS189_1 Current information on models submitted in prediction T0153TS189 MODEL_INDEX PIN CODE DATE E-mail T0153TS189_1 PIN_418493_17384 5035-2079-5263 07/30/02 05:29:19 casp5@bialko.llnl.gov T0153TS189_2 PIN_328162_17358 5035-2079-5263 07/30/02 05:20:26 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS189_1 PIN_418493_17384 5035-2079-5263 07/30/02 05:29:19 casp5@bialko.llnl.gov T0153TS189_2 PIN_328162_17358 5035-2079-5263 07/30/02 05:20:26 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 T0153 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1DUP_A # Loading PARENT structure: 1dup (chain: A) # Number of residues in PARENT structure: 136 # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 3 # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue N 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue F 130 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 129 # Total number of atoms in model: 129 # Number of atoms with 1.0 occupancy: 129 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 129 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1DUP_A ATOM 5 CA MET 1 1.605 33.137 47.376 1.00 1.00 ATOM 6 CA SER 2 0.533 29.621 46.448 1.00 1.00 ATOM 7 CA THR 3 1.801 28.436 43.076 1.00 1.00 ATOM 8 CA THR 4 0.923 25.266 41.166 1.00 1.00 ATOM 9 CA LEU 5 2.945 23.830 38.251 1.00 1.00 ATOM 10 CA ALA 6 0.845 22.821 35.257 1.00 1.00 ATOM 11 CA ILE 7 3.590 21.753 32.819 1.00 1.00 ATOM 12 CA VAL 8 6.360 19.238 33.770 1.00 1.00 ATOM 13 CA ARG 9 9.007 21.270 31.906 1.00 1.00 ATOM 14 CA LEU 10 8.678 24.073 34.449 1.00 1.00 ATOM 15 CA ASP 11 11.603 23.922 36.874 1.00 1.00 ATOM 16 CA PRO 12 13.251 21.257 34.618 1.00 1.00 ATOM 17 CA GLY 13 13.798 22.860 31.179 1.00 1.00 ATOM 18 CA LEU 14 13.521 26.460 32.490 1.00 1.00 ATOM 19 CA PRO 15 13.423 27.656 36.032 1.00 1.00 ATOM 20 CA LEU 16 10.683 28.951 38.192 1.00 1.00 ATOM 21 CA PRO 17 10.415 32.765 38.367 1.00 1.00 ATOM 22 CA SER 18 12.752 34.437 40.824 1.00 1.00 ATOM 23 CA ARG 19 13.548 38.054 41.814 1.00 1.00 ATOM 24 CA ALA 20 16.889 38.987 40.185 1.00 1.00 ATOM 25 CA HIS 21 18.025 41.143 43.169 1.00 1.00 ATOM 26 CA ASP 22 16.572 41.893 46.582 1.00 1.00 ATOM 27 CA GLY 23 15.544 45.391 45.392 1.00 1.00 ATOM 28 CA ASP 24 13.815 44.029 42.288 1.00 1.00 ATOM 29 CA ALA 25 10.096 44.875 41.976 1.00 1.00 ATOM 30 CA GLY 26 9.135 42.272 39.314 1.00 1.00 ATOM 31 CA VAL 27 9.524 38.676 38.380 1.00 1.00 ATOM 32 CA ASP 28 10.235 37.689 34.705 1.00 1.00 ATOM 33 CA LEU 29 7.811 35.097 33.184 1.00 1.00 ATOM 34 CA TYR 30 8.965 32.687 30.480 1.00 1.00 ATOM 35 CA SER 31 7.276 31.207 27.425 1.00 1.00 ATOM 36 CA ALA 32 6.238 27.517 28.096 1.00 1.00 ATOM 37 CA GLU 33 6.127 26.481 24.440 1.00 1.00 ATOM 38 CA ASP 34 6.635 23.233 22.594 1.00 1.00 ATOM 41 CA VAL 35 6.416 31.007 17.561 1.00 1.00 ATOM 42 CA GLU 36 7.151 33.618 14.864 1.00 1.00 ATOM 43 CA LEU 37 5.206 36.901 15.142 1.00 1.00 ATOM 44 CA ALA 38 4.915 39.061 12.052 1.00 1.00 ATOM 45 CA PRO 39 4.391 42.806 12.632 1.00 1.00 ATOM 46 CA GLY 40 0.861 43.259 14.043 1.00 1.00 ATOM 47 CA ARG 41 0.287 39.630 15.096 1.00 1.00 ATOM 48 CA ARG 42 -0.768 38.631 18.587 1.00 1.00 ATOM 49 CA ALA 43 -0.464 35.158 20.201 1.00 1.00 ATOM 50 CA LEU 44 -1.453 33.807 23.612 1.00 1.00 ATOM 51 CA VAL 45 1.521 32.161 25.373 1.00 1.00 ATOM 52 CA ARG 46 1.153 29.750 28.251 1.00 1.00 ATOM 53 CA THR 47 3.439 29.971 31.254 1.00 1.00 ATOM 54 CA GLY 48 2.811 26.388 32.626 1.00 1.00 ATOM 55 CA VAL 49 2.035 28.076 35.985 1.00 1.00 ATOM 56 CA ALA 50 -1.040 29.051 38.052 1.00 1.00 ATOM 57 CA VAL 51 -1.072 31.264 41.182 1.00 1.00 ATOM 58 CA ALA 52 -3.636 31.775 43.892 1.00 1.00 ATOM 59 CA VAL 53 -3.145 35.159 45.556 1.00 1.00 ATOM 61 CA PRO 54 -5.795 37.957 49.817 1.00 1.00 ATOM 62 CA PHE 55 -8.257 40.480 48.261 1.00 1.00 ATOM 63 CA GLY 56 -5.980 43.336 49.287 1.00 1.00 ATOM 64 CA MET 57 -3.368 42.232 46.674 1.00 1.00 ATOM 65 CA VAL 58 -3.418 41.923 42.874 1.00 1.00 ATOM 66 CA GLY 59 -0.667 41.159 40.334 1.00 1.00 ATOM 67 CA LEU 60 -0.028 43.124 37.141 1.00 1.00 ATOM 68 CA VAL 61 1.717 41.770 34.040 1.00 1.00 ATOM 69 CA HIS 62 3.776 44.283 32.002 1.00 1.00 ATOM 70 CA PRO 63 6.104 44.186 28.992 1.00 1.00 ATOM 71 CA ARG 64 9.848 43.644 29.583 1.00 1.00 ATOM 72 CA SER 65 11.504 47.013 28.964 1.00 1.00 ATOM 73 CA GLY 66 14.155 46.112 26.398 1.00 1.00 ATOM 74 CA LEU 67 12.065 43.737 24.467 1.00 1.00 ATOM 75 CA ALA 68 9.229 46.305 24.313 1.00 1.00 ATOM 76 CA THR 69 11.384 49.304 23.418 1.00 1.00 ATOM 77 CA ARG 70 13.933 47.627 21.197 1.00 1.00 ATOM 78 CA VAL 71 11.934 44.816 19.475 1.00 1.00 ATOM 79 CA GLY 72 8.336 46.038 19.767 1.00 1.00 ATOM 80 CA LEU 73 7.369 42.913 21.767 1.00 1.00 ATOM 81 CA SER 74 4.659 43.997 24.207 1.00 1.00 ATOM 82 CA ILE 75 1.302 42.754 25.596 1.00 1.00 ATOM 83 CA VAL 76 -1.828 42.666 23.440 1.00 1.00 ATOM 84 CA ASN 77 -4.039 43.724 26.360 1.00 1.00 ATOM 85 CA SER 78 -1.227 46.305 27.309 1.00 1.00 ATOM 86 CA PRO 79 -1.301 45.533 31.031 1.00 1.00 ATOM 87 CA GLY 80 -2.684 42.246 32.414 1.00 1.00 ATOM 88 CA THR 81 -4.430 42.316 35.779 1.00 1.00 ATOM 89 CA ILE 82 -4.622 39.067 37.921 1.00 1.00 ATOM 90 CA ASP 83 -7.346 39.051 40.640 1.00 1.00 ATOM 91 CA ALA 84 -6.884 37.493 44.070 1.00 1.00 ATOM 92 CA GLY 85 -9.383 34.794 43.141 1.00 1.00 ATOM 93 CA TYR 86 -8.046 33.870 39.638 1.00 1.00 ATOM 94 CA ARG 87 -6.702 30.326 39.790 1.00 1.00 ATOM 95 CA GLY 88 -6.296 29.367 36.177 1.00 1.00 ATOM 96 CA GLU 89 -3.076 29.176 34.183 1.00 1.00 ATOM 97 CA ILE 90 -1.223 32.518 33.699 1.00 1.00 ATOM 98 CA LYS 91 -1.444 33.197 29.969 1.00 1.00 ATOM 99 CA VAL 92 0.415 36.040 28.289 1.00 1.00 ATOM 100 CA ALA 93 -1.100 38.046 25.435 1.00 1.00 ATOM 101 CA LEU 94 1.910 38.865 23.198 1.00 1.00 ATOM 102 CA ILE 95 1.645 41.476 20.451 1.00 1.00 ATOM 103 CA ASN 96 4.320 42.543 17.921 1.00 1.00 ATOM 104 CA LEU 97 3.776 46.312 17.798 1.00 1.00 ATOM 105 CA ASP 98 6.997 46.721 15.752 1.00 1.00 ATOM 106 CA PRO 99 7.985 46.687 12.079 1.00 1.00 ATOM 107 CA ALA 101 9.925 43.410 12.111 1.00 1.00 ATOM 108 CA PRO 102 9.046 39.737 12.627 1.00 1.00 ATOM 109 CA ILE 103 10.238 38.276 15.895 1.00 1.00 ATOM 110 CA VAL 104 10.420 34.649 17.004 1.00 1.00 ATOM 111 CA VAL 105 9.609 33.717 20.601 1.00 1.00 ATOM 112 CA HIS 106 11.799 30.826 21.727 1.00 1.00 ATOM 113 CA ARG 107 10.700 28.164 24.220 1.00 1.00 ATOM 114 CA GLY 108 11.811 29.365 27.704 1.00 1.00 ATOM 115 CA ASP 109 12.417 33.021 26.736 1.00 1.00 ATOM 116 CA ARG 110 11.545 35.715 29.277 1.00 1.00 ATOM 117 CA ILE 111 8.681 37.633 27.640 1.00 1.00 ATOM 118 CA ALA 112 6.876 39.630 30.402 1.00 1.00 ATOM 119 CA GLN 113 7.329 40.705 33.992 1.00 1.00 ATOM 120 CA LEU 114 4.840 40.552 36.872 1.00 1.00 ATOM 121 CA LEU 115 4.558 42.759 40.000 1.00 1.00 ATOM 122 CA VAL 116 2.348 42.323 43.102 1.00 1.00 ATOM 123 CA GLN 117 0.659 45.590 44.245 1.00 1.00 ATOM 124 CA ARG 118 -1.798 46.380 47.062 1.00 1.00 ATOM 125 CA VAL 119 -5.352 47.157 45.711 1.00 1.00 ATOM 126 CA GLU 120 -8.248 48.847 47.508 1.00 1.00 ATOM 127 CA LEU 121 -11.924 47.973 46.869 1.00 1.00 ATOM 128 CA VAL 122 -14.029 51.156 46.593 1.00 1.00 ATOM 129 CA GLU 123 -17.353 51.458 48.481 1.00 1.00 ATOM 130 CA LEU 124 -19.262 54.097 46.395 1.00 1.00 ATOM 131 CA VAL 125 -20.983 56.938 48.304 1.00 1.00 ATOM 132 CA GLU 126 -23.493 58.463 45.869 1.00 1.00 ATOM 133 CA VAL 127 -23.656 62.244 46.133 1.00 1.00 ATOM 134 CA SER 128 -25.500 64.690 43.822 1.00 1.00 ATOM 135 CA SER 129 -22.719 67.245 44.095 1.00 1.00 ATOM 136 CA PHE 130 -19.109 67.172 45.343 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 05:48:08 2002 Date: Tue, 30 Jul 2002 05:48:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0153 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 Tue Jul 30 05:20:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_328162_17358 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0153TS189_2 Current information on models submitted in prediction T0153TS189 MODEL_INDEX PIN CODE DATE E-mail T0153TS189_2 PIN_328162_17358 5035-2079-5263 07/30/02 05:20:26 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 T0153 MODEL_INDEX PIN CODE DATE E-mail T0153TS189_2 PIN_328162_17358 5035-2079-5263 07/30/02 05:20:26 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 T0153 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1F7D_A # Loading PARENT structure: 1f7d (chain: A) # Number of residues in PARENT structure: 118 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue R 9 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue S 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue D 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue R 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue V 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue M 57 # IMPORTANT NOTE! Not complete main chain atoms for residue V 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue I 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue P 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue I 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue R 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue E 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue E 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0153 # Total number of residues in target: 154 # Total number of residues in model: 114 # Total number of atoms in model: 114 # Number of atoms with 1.0 occupancy: 114 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 114 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0153 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1F7D_A ATOM 2 CA ARG 9 6.923 19.845 40.634 1.00 1.00 ATOM 3 CA LEU 10 6.514 20.580 36.942 1.00 1.00 ATOM 4 CA ASP 11 8.207 23.003 34.589 1.00 1.00 ATOM 5 CA PRO 12 6.440 23.810 31.376 1.00 1.00 ATOM 6 CA GLY 13 3.263 24.521 29.540 1.00 1.00 ATOM 7 CA LEU 14 2.060 21.170 28.287 1.00 1.00 ATOM 8 CA PRO 15 0.570 19.307 31.273 1.00 1.00 ATOM 9 CA LEU 16 -2.772 20.023 32.946 1.00 1.00 ATOM 10 CA ARG 19 -4.045 19.544 36.493 1.00 1.00 ATOM 11 CA ALA 20 -6.477 16.642 36.683 1.00 1.00 ATOM 12 CA HIS 21 -9.724 16.071 38.510 1.00 1.00 ATOM 13 CA ASP 22 -9.362 13.738 41.482 1.00 1.00 ATOM 14 CA GLY 23 -11.717 11.339 39.708 1.00 1.00 ATOM 15 CA ASP 24 -9.430 11.006 36.757 1.00 1.00 ATOM 16 CA ALA 25 -6.462 8.678 36.535 1.00 1.00 ATOM 17 CA GLY 26 -4.135 10.795 34.436 1.00 1.00 ATOM 18 CA VAL 27 -2.924 14.264 33.543 1.00 1.00 ATOM 19 CA ASP 28 -3.492 15.562 30.018 1.00 1.00 ATOM 20 CA LEU 29 -0.303 16.092 27.959 1.00 1.00 ATOM 21 CA TYR 30 -0.378 18.746 25.216 1.00 1.00 ATOM 22 CA SER 31 1.437 19.128 21.874 1.00 1.00 ATOM 23 CA ALA 32 3.940 22.018 22.144 1.00 1.00 ATOM 24 CA GLU 33 3.691 22.640 18.381 1.00 1.00 ATOM 25 CA ASP 34 1.494 21.616 15.454 1.00 1.00 ATOM 26 CA VAL 35 2.272 18.085 14.203 1.00 1.00 ATOM 27 CA GLU 36 1.315 16.469 10.894 1.00 1.00 ATOM 28 CA LEU 37 1.270 12.696 10.672 1.00 1.00 ATOM 29 CA ALA 38 0.758 10.943 7.360 1.00 1.00 ATOM 30 CA PRO 39 -0.311 7.282 7.501 1.00 1.00 ATOM 31 CA GLY 40 2.603 5.244 8.849 1.00 1.00 ATOM 32 CA ARG 41 4.514 8.200 10.269 1.00 1.00 ATOM 33 CA ARG 42 6.021 8.097 13.769 1.00 1.00 ATOM 34 CA ALA 43 7.109 11.341 15.462 1.00 1.00 ATOM 35 CA LEU 44 8.247 12.274 18.947 1.00 1.00 ATOM 36 CA VAL 45 5.852 15.039 19.869 1.00 1.00 ATOM 37 CA ARG 46 7.372 17.572 22.262 1.00 1.00 ATOM 38 CA THR 47 5.220 18.662 25.227 1.00 1.00 ATOM 39 CA GLY 48 7.439 21.407 26.645 1.00 1.00 ATOM 40 CA VAL 49 7.183 19.711 30.051 1.00 1.00 ATOM 41 CA ALA 50 9.764 18.634 32.585 1.00 1.00 ATOM 42 CA VAL 51 8.797 17.117 35.884 1.00 1.00 ATOM 43 CA ALA 52 10.002 15.564 39.117 1.00 1.00 ATOM 44 CA VAL 53 8.148 12.343 39.608 1.00 1.00 ATOM 45 CA PRO 54 7.429 11.491 43.234 1.00 1.00 ATOM 46 CA PHE 55 9.894 9.064 44.771 1.00 1.00 ATOM 47 CA GLY 56 8.601 5.507 44.647 1.00 1.00 ATOM 48 CA MET 57 6.684 6.090 41.373 1.00 1.00 ATOM 49 CA VAL 58 7.073 6.112 37.610 1.00 1.00 ATOM 50 CA GLY 59 4.951 7.718 34.891 1.00 1.00 ATOM 51 CA LEU 60 2.921 5.808 32.269 1.00 1.00 ATOM 52 CA VAL 61 2.204 7.811 29.084 1.00 1.00 ATOM 53 CA HIS 62 -0.877 6.260 27.545 1.00 1.00 ATOM 54 CA PRO 63 -3.427 7.248 24.944 1.00 1.00 ATOM 55 CA ARG 64 -6.459 9.371 25.249 1.00 1.00 ATOM 56 CA SER 65 -9.591 7.597 24.014 1.00 1.00 ATOM 57 CA GLY 66 -10.443 10.545 21.747 1.00 1.00 ATOM 58 CA LEU 67 -7.052 10.294 20.059 1.00 1.00 ATOM 59 CA ALA 68 -6.901 6.510 19.941 1.00 1.00 ATOM 60 CA THR 69 -10.317 6.441 18.221 1.00 1.00 ATOM 61 CA ARG 70 -8.658 8.299 15.299 1.00 1.00 ATOM 62 CA GLY 72 -6.080 5.518 14.894 1.00 1.00 ATOM 63 CA LEU 73 -3.161 7.284 16.542 1.00 1.00 ATOM 64 CA SER 74 -1.115 5.200 19.003 1.00 1.00 ATOM 65 CA ILE 75 1.361 6.023 21.776 1.00 1.00 ATOM 66 CA SER 78 4.536 3.951 21.510 1.00 1.00 ATOM 67 CA PRO 79 6.902 3.412 24.440 1.00 1.00 ATOM 68 CA GLY 80 5.270 4.965 27.469 1.00 1.00 ATOM 69 CA THR 81 7.667 4.744 30.419 1.00 1.00 ATOM 70 CA ILE 82 8.958 7.807 32.265 1.00 1.00 ATOM 71 CA ASP 83 11.417 6.627 34.927 1.00 1.00 ATOM 72 CA ALA 84 11.418 8.312 38.319 1.00 1.00 ATOM 73 CA GLY 85 14.747 9.982 37.631 1.00 1.00 ATOM 74 CA TYR 86 13.929 11.369 34.175 1.00 1.00 ATOM 75 CA ARG 87 14.324 15.160 34.253 1.00 1.00 ATOM 76 CA GLY 88 14.413 16.161 30.572 1.00 1.00 ATOM 77 CA GLU 89 11.549 17.301 28.341 1.00 1.00 ATOM 78 CA ILE 90 8.756 14.771 27.926 1.00 1.00 ATOM 79 CA LYS 91 8.190 13.653 24.342 1.00 1.00 ATOM 80 CA VAL 92 5.192 11.505 23.362 1.00 1.00 ATOM 81 CA ALA 93 6.039 8.936 20.672 1.00 1.00 ATOM 82 CA LEU 94 2.996 9.000 18.407 1.00 1.00 ATOM 83 CA ILE 95 2.349 6.919 15.309 1.00 1.00 ATOM 84 CA ASN 96 -0.465 7.240 12.746 1.00 1.00 ATOM 85 CA LEU 97 -1.446 3.584 12.323 1.00 1.00 ATOM 86 CA ASP 98 -4.608 4.662 10.490 1.00 1.00 ATOM 87 CA PRO 99 -4.909 5.204 6.759 1.00 1.00 ATOM 88 CA ALA 101 -5.912 8.830 6.983 1.00 1.00 ATOM 89 CA PRO 102 -3.603 11.795 7.479 1.00 1.00 ATOM 90 CA ILE 103 -4.032 13.629 10.775 1.00 1.00 ATOM 91 CA VAL 104 -2.955 17.044 12.051 1.00 1.00 ATOM 92 CA VAL 105 -2.514 17.557 15.800 1.00 1.00 ATOM 93 CA HIS 106 -2.917 21.247 16.653 1.00 1.00 ATOM 94 CA ARG 107 -0.615 23.216 18.921 1.00 1.00 ATOM 95 CA GLY 108 -1.707 22.706 22.561 1.00 1.00 ATOM 96 CA ASP 109 -4.078 19.865 21.632 1.00 1.00 ATOM 97 CA ARG 110 -4.461 17.077 24.206 1.00 1.00 ATOM 98 CA ILE 111 -2.433 14.167 22.783 1.00 1.00 ATOM 99 CA ALA 112 -1.956 11.645 25.649 1.00 1.00 ATOM 100 CA GLN 113 -2.197 11.297 29.405 1.00 1.00 ATOM 101 CA LEU 114 0.327 10.636 32.155 1.00 1.00 ATOM 102 CA LEU 115 -0.611 8.268 34.977 1.00 1.00 ATOM 103 CA VAL 116 1.577 7.946 38.072 1.00 1.00 ATOM 104 CA GLN 117 2.060 4.338 39.207 1.00 1.00 ATOM 105 CA ARG 118 4.082 2.683 42.006 1.00 1.00 ATOM 106 CA VAL 119 7.552 1.237 41.414 1.00 1.00 ATOM 107 CA GLU 120 8.598 -2.225 42.592 1.00 1.00 ATOM 108 CA LEU 121 12.357 -2.975 42.850 1.00 1.00 ATOM 109 CA VAL 122 13.434 -6.625 43.131 1.00 1.00 ATOM 110 CA GLU 123 16.754 -8.288 42.803 1.00 1.00 ATOM 111 CA LEU 124 16.932 -10.856 40.035 1.00 1.00 ATOM 112 CA VAL 125 18.128 -14.252 41.275 1.00 1.00 ATOM 113 CA GLU 126 19.216 -16.790 38.632 1.00 1.00 ATOM 114 CA VAL 127 17.743 -20.145 39.636 1.00 1.00 ATOM 115 CA SER 128 15.105 -22.693 38.702 1.00 1.00 TER END ################################ # # # END # # # ################################