From mailer@bialko.llnl.gov Fri Jul 19 15:53:28 2002 Date: Fri, 19 Jul 2002 15:53:22 -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 Fri Jul 19 15:26:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_380192_12777 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157SS389_1 Current information on models submitted in prediction T0157SS389 MODEL_INDEX PIN CODE DATE E-mail T0157SS389_1 PIN_380192_12777 1549-8716-6404 07/19/02 15:26:29 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157SS389_1 PIN_380192_12777 1549-8716-6404 07/19/02 15:26:29 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 T0157 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: 138 # Number of residues with nonzero confidence: 138 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0157 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0157.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0157.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0157.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 T0157.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0157 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 T0157.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 56 METHOD METHOD ============================================ METHOD Comments from T0157.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0157 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 T0157.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 56 METHOD METHOD ============================================ METHOD Comments from T0157.t2k.str.rdb METHOD ============================================ METHOD TARGET T0157 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 T0157.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 56 METHOD METHOD ============================================ MODEL 1 M C 0.95 S C 0.89 G C 0.70 T E 0.71 L E 0.92 L E 0.95 A E 0.96 F E 0.91 D E 0.60 F C 0.78 G C 0.90 T C 0.80 K C 0.52 S E 0.82 I E 0.90 G E 0.92 V E 0.95 A E 0.93 V E 0.87 G E 0.60 Q C 0.79 R C 0.72 I C 0.70 T C 0.66 G C 0.64 T C 0.51 A E 0.45 R C 0.46 P C 0.50 L C 0.39 P E 0.43 A E 0.55 I E 0.67 K E 0.63 A C 0.48 Q C 0.70 D C 0.85 G C 0.85 T C 0.71 P H 0.55 D H 0.67 W H 0.95 N H 0.96 I H 0.97 I H 0.97 E H 0.97 R H 0.97 L H 0.97 L H 0.96 K H 0.94 E H 0.78 W H 0.51 Q C 0.91 P C 0.89 D C 0.59 E E 0.94 I E 0.98 I E 0.98 V E 0.94 G E 0.65 L C 0.68 P C 0.70 L E 0.50 N C 0.84 M C 0.93 D C 0.96 G C 0.96 T C 0.90 E C 0.66 Q C 0.74 P H 0.62 L H 0.86 T H 0.94 A H 0.97 R H 0.97 A H 0.98 R H 0.98 K H 0.98 F H 0.97 A H 0.97 N H 0.97 R H 0.97 I H 0.96 H H 0.91 G H 0.80 R H 0.66 F C 0.67 G C 0.96 V C 0.93 E C 0.59 V E 0.90 K E 0.96 L E 0.94 H E 0.83 D C 0.50 E C 0.80 R C 0.76 L C 0.64 S C 0.56 T H 0.82 V H 0.96 E H 0.97 A H 0.97 R H 0.97 S H 0.97 G H 0.96 L H 0.96 F H 0.95 E H 0.88 Q C 0.59 G C 0.97 G C 0.93 Y C 0.83 R H 0.59 A H 0.67 L H 0.68 N H 0.59 K H 0.50 G C 0.52 K H 0.57 V H 0.71 D H 0.82 S H 0.96 A H 0.97 S H 0.97 A H 0.97 V H 0.98 I H 0.98 I H 0.97 L H 0.97 E H 0.95 S H 0.93 Y H 0.93 F H 0.86 E H 0.71 Q C 0.59 G C 0.86 Y C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:01:38 2002 Date: Wed, 7 Aug 2002 04:01:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:33:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_461859_19130 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS189_1 Current information on models submitted in prediction T0157TS189 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 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 T0157 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1HJR_A # Loading PARENT structure: 1hjr (chain: A) # Number of residues in PARENT structure: 158 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue F 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue T 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue I 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue P 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue P 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue K 34 # IMPORTANT NOTE! Not complete main chain atoms for residue A 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue R 97 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 95 # Total number of atoms in model: 95 # Number of atoms with 1.0 occupancy: 95 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 95 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1HJR_A ATOM 1 CA GLY 3 18.404 5.181 10.612 1.00 1.00 ATOM 2 CA THR 4 14.830 4.607 11.753 1.00 1.00 ATOM 3 CA LEU 5 11.792 4.376 9.434 1.00 1.00 ATOM 4 CA LEU 6 8.104 4.128 10.319 1.00 1.00 ATOM 5 CA ALA 7 5.499 3.226 7.646 1.00 1.00 ATOM 6 CA PHE 8 1.793 3.680 8.527 1.00 1.00 ATOM 7 CA ASP 9 -1.492 2.219 7.232 1.00 1.00 ATOM 8 CA PHE 10 -4.267 4.617 8.477 1.00 1.00 ATOM 9 CA GLY 11 -7.747 3.093 8.566 1.00 1.00 ATOM 10 CA THR 12 -10.852 4.579 10.067 1.00 1.00 ATOM 11 CA LYS 13 -11.270 1.328 12.025 1.00 1.00 ATOM 12 CA SER 14 -7.647 -0.031 12.155 1.00 1.00 ATOM 13 CA ILE 15 -4.103 1.337 11.599 1.00 1.00 ATOM 14 CA GLY 16 -0.947 -0.764 11.128 1.00 1.00 ATOM 15 CA VAL 17 2.600 0.415 11.684 1.00 1.00 ATOM 16 CA ALA 18 6.010 -1.004 11.052 1.00 1.00 ATOM 17 CA VAL 19 9.286 0.242 12.298 1.00 1.00 ATOM 18 CA GLY 20 12.516 -1.052 10.878 1.00 1.00 ATOM 19 CA GLN 21 16.105 0.009 11.394 1.00 1.00 ATOM 20 CA ARG 22 18.347 0.504 8.362 1.00 1.00 ATOM 21 CA ILE 23 22.035 0.339 9.481 1.00 1.00 ATOM 22 CA THR 24 24.343 0.826 6.546 1.00 1.00 ATOM 23 CA GLY 25 22.555 -1.728 4.283 1.00 1.00 ATOM 24 CA THR 26 21.661 -3.927 7.233 1.00 1.00 ATOM 25 CA ALA 27 17.885 -4.095 7.675 1.00 1.00 ATOM 26 CA ARG 28 16.471 -4.685 11.120 1.00 1.00 ATOM 27 CA PRO 29 12.990 -5.120 12.573 1.00 1.00 ATOM 28 CA LEU 30 12.110 -3.156 15.771 1.00 1.00 ATOM 29 CA PRO 31 8.389 -3.920 15.930 1.00 1.00 ATOM 30 CA ALA 32 4.927 -3.840 14.431 1.00 1.00 ATOM 31 CA ILE 33 1.259 -4.004 15.356 1.00 1.00 ATOM 32 CA LYS 34 -2.132 -2.455 14.765 1.00 1.00 ATOM 33 CA ALA 35 -3.908 0.246 16.805 1.00 1.00 ATOM 34 CA GLN 36 -7.585 -0.660 17.083 1.00 1.00 ATOM 43 CA ASP 37 -11.708 7.694 16.655 1.00 1.00 ATOM 44 CA GLY 38 -9.699 10.506 15.096 1.00 1.00 ATOM 45 CA THR 39 -8.085 11.581 18.337 1.00 1.00 ATOM 46 CA PRO 40 -7.275 7.922 19.021 1.00 1.00 ATOM 47 CA ASP 41 -5.593 7.761 15.700 1.00 1.00 ATOM 48 CA TRP 42 -3.666 10.848 16.715 1.00 1.00 ATOM 49 CA ASN 43 -2.590 9.464 20.122 1.00 1.00 ATOM 50 CA ILE 44 -1.868 5.928 19.020 1.00 1.00 ATOM 51 CA ILE 45 0.233 7.213 16.114 1.00 1.00 ATOM 52 CA GLU 46 1.995 9.618 18.503 1.00 1.00 ATOM 53 CA ARG 47 2.579 7.000 21.209 1.00 1.00 ATOM 54 CA LEU 48 4.426 4.960 18.553 1.00 1.00 ATOM 55 CA LEU 49 6.473 7.953 17.460 1.00 1.00 ATOM 56 CA LYS 50 7.709 8.549 21.014 1.00 1.00 ATOM 57 CA GLU 51 7.990 4.863 22.081 1.00 1.00 ATOM 58 CA TRP 52 9.828 3.886 18.888 1.00 1.00 ATOM 59 CA GLN 53 11.329 7.146 17.761 1.00 1.00 ATOM 60 CA PRO 54 11.578 7.071 13.962 1.00 1.00 ATOM 61 CA ASP 55 13.588 9.416 11.824 1.00 1.00 ATOM 62 CA GLU 56 11.293 9.217 8.907 1.00 1.00 ATOM 63 CA ILE 57 7.618 8.633 8.406 1.00 1.00 ATOM 64 CA ILE 58 6.461 6.689 5.292 1.00 1.00 ATOM 65 CA VAL 59 2.844 6.505 4.108 1.00 1.00 ATOM 66 CA GLY 60 1.635 4.961 0.888 1.00 1.00 ATOM 67 CA LEU 61 -0.384 7.317 -1.309 1.00 1.00 ATOM 68 CA PRO 62 -4.035 6.475 -1.945 1.00 1.00 ATOM 69 CA LEU 63 -5.176 7.339 -5.491 1.00 1.00 ATOM 70 CA ASN 64 -7.740 4.925 -7.022 1.00 1.00 ATOM 71 CA MET 65 -10.747 4.004 -4.885 1.00 1.00 ATOM 72 CA ASP 66 -14.264 4.549 -6.250 1.00 1.00 ATOM 73 CA GLY 67 -16.332 4.395 -3.086 1.00 1.00 ATOM 74 CA THR 68 -16.894 8.049 -2.067 1.00 1.00 ATOM 75 CA GLU 69 -18.514 7.322 1.322 1.00 1.00 ATOM 76 CA GLN 70 -15.349 5.363 2.243 1.00 1.00 ATOM 77 CA PRO 71 -12.964 7.872 0.641 1.00 1.00 ATOM 78 CA LEU 72 -14.098 10.435 3.219 1.00 1.00 ATOM 80 CA THR 73 -10.185 6.928 4.825 1.00 1.00 ATOM 81 CA ALA 74 -9.263 10.571 4.165 1.00 1.00 ATOM 82 CA ARG 75 -9.926 11.783 7.741 1.00 1.00 ATOM 83 CA ALA 76 -7.829 9.178 9.542 1.00 1.00 ATOM 84 CA ARG 77 -4.999 9.358 7.029 1.00 1.00 ATOM 85 CA LYS 78 -5.006 13.153 7.412 1.00 1.00 ATOM 86 CA PHE 79 -4.946 12.725 11.222 1.00 1.00 ATOM 87 CA ALA 80 -2.145 10.131 10.959 1.00 1.00 ATOM 88 CA ASN 81 0.110 12.540 8.877 1.00 1.00 ATOM 89 CA ARG 82 -0.416 15.566 11.164 1.00 1.00 ATOM 90 CA ILE 83 0.440 13.380 14.131 1.00 1.00 ATOM 91 CA HIS 84 3.920 13.176 12.639 1.00 1.00 ATOM 92 CA GLY 85 4.033 16.726 11.344 1.00 1.00 ATOM 93 CA ARG 86 3.718 17.832 14.981 1.00 1.00 ATOM 94 CA PHE 87 6.435 15.442 16.357 1.00 1.00 ATOM 95 CA GLY 88 8.809 16.939 13.743 1.00 1.00 ATOM 96 CA VAL 89 8.909 13.948 11.397 1.00 1.00 ATOM 97 CA GLU 90 9.616 14.403 7.670 1.00 1.00 ATOM 98 CA VAL 91 6.720 12.552 5.923 1.00 1.00 ATOM 99 CA LYS 92 6.997 10.653 2.575 1.00 1.00 ATOM 100 CA LEU 93 4.304 9.127 0.341 1.00 1.00 ATOM 101 CA HIS 94 4.922 6.085 -1.964 1.00 1.00 ATOM 102 CA ASP 95 2.482 5.070 -4.693 1.00 1.00 ATOM 103 CA GLU 96 1.117 1.538 -4.190 1.00 1.00 ATOM 104 CA ARG 97 3.121 0.528 -7.376 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:11:29 2002 Date: Wed, 7 Aug 2002 04:11:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:43:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_561760_19164 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS189_2 Current information on models submitted in prediction T0157TS189 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_2 PIN_561760_19164 5035-2079-5263 08/07/02 03:43:56 casp5@bialko.llnl.gov T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 casp5@bialko.llnl.gov T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 casp5@bialko.llnl.gov T0157TS189_2 PIN_561760_19164 5035-2079-5263 08/07/02 03:43:56 casp5@bialko.llnl.gov T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 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 T0157 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1TPL_A # Loading PARENT structure: 1tpl (chain: A) # Number of residues in PARENT structure: 426 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue P 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue K 34 # IMPORTANT NOTE! Not complete main chain atoms for residue A 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue R 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue E 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue N 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue K 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 96 # Total number of atoms in model: 96 # Number of atoms with 1.0 occupancy: 96 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 96 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1TPL_A ATOM 146 CA ARG 28 29.142 29.888 54.589 1.00 1.00 ATOM 147 CA PRO 29 27.079 32.504 52.650 1.00 1.00 ATOM 148 CA LEU 30 24.589 32.417 49.740 1.00 1.00 ATOM 149 CA PRO 31 23.546 35.250 47.343 1.00 1.00 ATOM 150 CA ALA 32 26.621 37.391 48.111 1.00 1.00 ATOM 151 CA ILE 33 30.003 37.490 46.408 1.00 1.00 ATOM 152 CA LYS 34 33.554 37.304 47.811 1.00 1.00 ATOM 153 CA ALA 35 35.654 35.908 44.933 1.00 1.00 ATOM 154 CA GLN 36 37.581 33.061 46.561 1.00 1.00 ATOM 155 CA ASP 37 34.967 31.921 48.970 1.00 1.00 ATOM 156 CA GLY 38 36.836 28.720 50.005 1.00 1.00 ATOM 157 CA THR 39 39.940 30.477 51.411 1.00 1.00 ATOM 158 CA PRO 40 40.995 29.404 54.903 1.00 1.00 ATOM 159 CA ASP 41 40.706 32.012 57.681 1.00 1.00 ATOM 160 CA TRP 42 44.362 32.496 58.841 1.00 1.00 ATOM 161 CA ASN 43 43.307 33.958 62.247 1.00 1.00 ATOM 162 CA ILE 44 41.258 30.787 62.981 1.00 1.00 ATOM 163 CA ILE 45 44.123 28.535 61.770 1.00 1.00 ATOM 164 CA GLU 46 46.576 30.471 63.941 1.00 1.00 ATOM 165 CA ARG 47 44.097 30.261 66.868 1.00 1.00 ATOM 166 CA LEU 48 43.652 26.480 66.538 1.00 1.00 ATOM 167 CA LEU 49 47.424 26.087 66.451 1.00 1.00 ATOM 168 CA LYS 50 47.693 28.283 69.536 1.00 1.00 ATOM 169 CA GLU 51 45.162 26.456 71.741 1.00 1.00 ATOM 173 CA TRP 52 51.607 18.466 67.730 1.00 1.00 ATOM 174 CA GLN 53 47.910 17.702 67.995 1.00 1.00 ATOM 175 CA PRO 54 47.177 18.760 64.416 1.00 1.00 ATOM 176 CA ASP 55 47.301 15.820 62.049 1.00 1.00 ATOM 177 CA GLU 56 47.263 18.091 59.022 1.00 1.00 ATOM 178 CA ILE 57 45.379 20.910 57.276 1.00 1.00 ATOM 179 CA ILE 58 43.169 19.721 54.444 1.00 1.00 ATOM 180 CA VAL 59 42.486 22.223 51.675 1.00 1.00 ATOM 181 CA GLY 60 40.024 21.240 48.960 1.00 1.00 ATOM 182 CA LEU 61 40.441 22.941 45.598 1.00 1.00 ATOM 183 CA PRO 62 37.836 23.863 44.560 1.00 1.00 ATOM 184 CA LEU 63 35.752 23.255 47.714 1.00 1.00 ATOM 185 CA ASN 64 32.486 21.448 46.871 1.00 1.00 ATOM 186 CA MET 65 29.789 23.666 48.361 1.00 1.00 ATOM 187 CA ASP 66 27.428 25.755 46.215 1.00 1.00 ATOM 188 CA GLY 67 28.719 23.881 43.132 1.00 1.00 ATOM 189 CA THR 68 32.424 24.345 43.882 1.00 1.00 ATOM 190 CA GLU 69 34.007 27.586 45.224 1.00 1.00 ATOM 191 CA GLN 70 37.675 28.531 44.554 1.00 1.00 ATOM 192 CA PRO 71 40.675 29.045 46.824 1.00 1.00 ATOM 193 CA LEU 72 43.239 31.735 46.018 1.00 1.00 ATOM 194 CA THR 73 46.825 30.997 45.115 1.00 1.00 ATOM 195 CA ALA 74 47.474 33.821 47.647 1.00 1.00 ATOM 196 CA ARG 75 45.729 31.858 50.424 1.00 1.00 ATOM 197 CA ALA 76 47.456 28.547 49.485 1.00 1.00 ATOM 198 CA ARG 77 50.882 30.241 49.862 1.00 1.00 ATOM 199 CA PHE 79 49.950 31.927 53.159 1.00 1.00 ATOM 200 CA ALA 80 48.774 28.567 54.592 1.00 1.00 ATOM 201 CA ASN 81 52.020 26.847 53.550 1.00 1.00 ATOM 202 CA ARG 82 54.045 29.561 55.452 1.00 1.00 ATOM 203 CA ILE 83 52.010 29.544 58.635 1.00 1.00 ATOM 204 CA HIS 84 51.809 25.725 58.797 1.00 1.00 ATOM 205 CA GLY 85 55.491 25.236 57.842 1.00 1.00 ATOM 206 CA ARG 86 56.380 27.611 60.621 1.00 1.00 ATOM 207 CA PHE 87 54.904 25.023 63.048 1.00 1.00 ATOM 208 CA GLY 88 55.920 21.816 61.267 1.00 1.00 ATOM 209 CA VAL 89 52.299 21.123 60.271 1.00 1.00 ATOM 210 CA GLU 90 51.552 19.133 57.122 1.00 1.00 ATOM 211 CA VAL 91 49.209 20.273 54.370 1.00 1.00 ATOM 212 CA LYS 92 47.249 17.923 52.130 1.00 1.00 ATOM 213 CA LEU 93 44.995 19.047 49.309 1.00 1.00 ATOM 214 CA HIS 94 41.862 17.298 48.037 1.00 1.00 ATOM 215 CA ASP 95 42.773 17.904 44.364 1.00 1.00 ATOM 216 CA GLU 96 39.563 16.429 42.873 1.00 1.00 ATOM 217 CA ARG 97 38.423 19.554 40.932 1.00 1.00 ATOM 218 CA LEU 98 41.831 21.240 40.955 1.00 1.00 ATOM 219 CA SER 99 41.664 22.181 37.232 1.00 1.00 ATOM 220 CA THR 100 38.366 23.962 37.904 1.00 1.00 ATOM 221 CA VAL 101 40.147 25.841 40.722 1.00 1.00 ATOM 222 CA GLU 102 43.017 26.801 38.459 1.00 1.00 ATOM 223 CA ALA 103 40.660 28.322 35.908 1.00 1.00 ATOM 224 CA ARG 104 39.115 30.634 38.634 1.00 1.00 ATOM 225 CA SER 105 42.545 31.702 39.712 1.00 1.00 ATOM 226 CA GLY 106 43.583 32.382 36.100 1.00 1.00 ATOM 227 CA LEU 107 40.370 34.219 35.464 1.00 1.00 ATOM 228 CA PHE 108 39.992 36.267 38.673 1.00 1.00 ATOM 229 CA GLU 109 43.205 36.332 40.736 1.00 1.00 ATOM 230 CA GLN 110 45.370 39.343 39.990 1.00 1.00 ATOM 231 CA GLY 111 48.762 38.353 38.598 1.00 1.00 ATOM 232 CA GLY 112 47.696 35.054 36.994 1.00 1.00 ATOM 233 CA TYR 113 46.010 36.504 33.903 1.00 1.00 ATOM 234 CA ARG 114 48.928 35.396 31.712 1.00 1.00 ATOM 235 CA ALA 115 49.939 32.114 33.361 1.00 1.00 ATOM 236 CA LEU 116 49.133 28.728 31.896 1.00 1.00 ATOM 237 CA ASN 117 46.634 26.469 33.585 1.00 1.00 ATOM 238 CA LYS 118 49.596 24.090 33.825 1.00 1.00 ATOM 239 CA GLY 119 51.737 26.841 35.361 1.00 1.00 ATOM 240 CA LYS 120 48.994 27.602 37.819 1.00 1.00 ATOM 241 CA VAL 121 48.456 23.912 38.601 1.00 1.00 ATOM 242 CA ASP 122 52.150 23.284 39.219 1.00 1.00 ATOM 243 CA SER 123 52.339 26.264 41.654 1.00 1.00 ATOM 244 CA ALA 124 49.226 25.370 43.625 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:14:39 2002 Date: Wed, 7 Aug 2002 04:14:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:47:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_594962_19174 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS189_3 Current information on models submitted in prediction T0157TS189 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_3 PIN_594962_19174 5035-2079-5263 08/07/02 03:47:04 casp5@bialko.llnl.gov T0157TS189_2 PIN_561760_19164 5035-2079-5263 08/07/02 03:43:56 casp5@bialko.llnl.gov T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 casp5@bialko.llnl.gov T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 casp5@bialko.llnl.gov T0157TS189_2 PIN_561760_19164 5035-2079-5263 08/07/02 03:43:56 casp5@bialko.llnl.gov T0157TS189_3 PIN_594962_19174 5035-2079-5263 08/07/02 03:47:04 casp5@bialko.llnl.gov T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 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 T0157 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1DKU_A # Loading PARENT structure: 1dku (chain: A) # Number of residues in PARENT structure: 295 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue F 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue T 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue I 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue P 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue P 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue K 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue R 97 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 72 # Total number of atoms in model: 72 # Number of atoms with 1.0 occupancy: 72 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 72 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1DKU_A ATOM 127 CA GLY 3 8.896 69.765 40.001 1.00 1.00 ATOM 128 CA THR 4 12.355 68.222 39.836 1.00 1.00 ATOM 129 CA LEU 5 15.997 68.847 40.585 1.00 1.00 ATOM 130 CA LEU 6 19.221 68.282 38.674 1.00 1.00 ATOM 131 CA ALA 7 22.144 68.334 41.173 1.00 1.00 ATOM 132 CA PHE 8 25.929 67.890 40.824 1.00 1.00 ATOM 133 CA ASP 9 28.275 66.105 43.221 1.00 1.00 ATOM 134 CA PHE 10 26.161 66.285 46.370 1.00 1.00 ATOM 135 CA GLY 11 28.217 66.036 49.502 1.00 1.00 ATOM 136 CA THR 12 26.355 62.872 50.393 1.00 1.00 ATOM 137 CA GLY 20 24.617 60.887 47.688 1.00 1.00 ATOM 138 CA GLN 21 21.870 60.011 50.186 1.00 1.00 ATOM 139 CA ARG 22 20.717 63.588 49.780 1.00 1.00 ATOM 140 CA ILE 23 19.054 62.368 46.615 1.00 1.00 ATOM 141 CA THR 24 16.681 60.525 48.920 1.00 1.00 ATOM 142 CA GLY 25 15.822 63.699 50.864 1.00 1.00 ATOM 143 CA THR 26 13.508 64.501 47.949 1.00 1.00 ATOM 144 CA ALA 27 10.305 62.774 46.838 1.00 1.00 ATOM 145 CA ARG 28 10.254 64.665 43.587 1.00 1.00 ATOM 146 CA PRO 29 12.559 63.362 40.853 1.00 1.00 ATOM 147 CA LEU 30 16.146 64.304 41.171 1.00 1.00 ATOM 148 CA PRO 31 19.062 63.522 38.850 1.00 1.00 ATOM 149 CA ALA 32 22.533 63.462 40.375 1.00 1.00 ATOM 150 CA ILE 33 25.260 64.220 37.823 1.00 1.00 ATOM 151 CA LYS 34 28.917 63.329 38.603 1.00 1.00 ATOM 152 CA ASP 41 31.932 65.609 38.348 1.00 1.00 ATOM 153 CA TRP 42 34.799 63.194 38.741 1.00 1.00 ATOM 154 CA ASN 43 34.832 62.187 35.069 1.00 1.00 ATOM 155 CA ILE 44 35.529 65.812 34.255 1.00 1.00 ATOM 156 CA ILE 45 38.473 66.113 36.641 1.00 1.00 ATOM 157 CA GLU 46 39.729 62.726 35.548 1.00 1.00 ATOM 158 CA ARG 47 39.825 63.660 31.870 1.00 1.00 ATOM 159 CA LEU 48 41.843 66.716 32.696 1.00 1.00 ATOM 160 CA LEU 49 44.444 64.802 34.701 1.00 1.00 ATOM 161 CA LYS 50 44.889 62.094 32.058 1.00 1.00 ATOM 162 CA GLU 51 45.962 64.958 29.841 1.00 1.00 ATOM 163 CA TRP 52 48.841 65.698 32.160 1.00 1.00 ATOM 164 CA GLN 53 50.770 62.527 31.429 1.00 1.00 ATOM 165 CA PRO 54 51.632 62.214 35.109 1.00 1.00 ATOM 166 CA ASP 55 53.330 58.936 36.032 1.00 1.00 ATOM 167 CA GLU 56 53.510 57.072 39.263 1.00 1.00 ATOM 168 CA ILE 57 50.271 58.650 40.599 1.00 1.00 ATOM 169 CA ILE 58 48.591 57.926 43.887 1.00 1.00 ATOM 170 CA VAL 59 45.151 59.366 44.610 1.00 1.00 ATOM 171 CA GLY 60 44.946 60.689 48.139 1.00 1.00 ATOM 172 CA LEU 61 41.849 61.149 50.276 1.00 1.00 ATOM 173 CA PRO 62 42.270 64.089 52.660 1.00 1.00 ATOM 174 CA LEU 63 40.204 62.330 55.368 1.00 1.00 ATOM 175 CA ASN 64 38.168 59.214 56.226 1.00 1.00 ATOM 176 CA MET 65 34.940 60.156 54.588 1.00 1.00 ATOM 177 CA ASP 66 36.490 60.867 51.190 1.00 1.00 ATOM 178 CA ARG 77 37.828 57.429 50.356 1.00 1.00 ATOM 179 CA LYS 78 34.939 56.454 48.069 1.00 1.00 ATOM 180 CA PHE 79 35.452 59.574 46.002 1.00 1.00 ATOM 181 CA ALA 80 39.210 59.041 45.869 1.00 1.00 ATOM 182 CA ASN 81 38.483 55.554 44.654 1.00 1.00 ATOM 183 CA ARG 82 36.287 56.727 41.781 1.00 1.00 ATOM 184 CA ILE 83 39.173 58.915 40.572 1.00 1.00 ATOM 185 CA HIS 84 41.739 56.161 41.115 1.00 1.00 ATOM 186 CA GLY 85 39.607 53.774 39.089 1.00 1.00 ATOM 187 CA ARG 86 39.604 56.215 36.256 1.00 1.00 ATOM 188 CA PHE 87 43.365 56.707 36.465 1.00 1.00 ATOM 189 CA GLY 88 43.980 53.016 37.240 1.00 1.00 ATOM 190 CA VAL 89 45.988 54.164 40.223 1.00 1.00 ATOM 191 CA GLU 90 46.424 53.338 43.964 1.00 1.00 ATOM 192 CA VAL 91 45.109 55.329 46.892 1.00 1.00 ATOM 193 CA LYS 92 46.506 56.549 50.201 1.00 1.00 ATOM 194 CA LEU 93 44.627 58.326 52.920 1.00 1.00 ATOM 195 CA HIS 94 45.445 61.032 55.429 1.00 1.00 ATOM 196 CA ASP 95 44.576 59.757 58.923 1.00 1.00 ATOM 197 CA GLU 96 44.524 62.865 61.187 1.00 1.00 ATOM 198 CA ARG 97 43.646 62.276 64.897 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:05:29 2002 Date: Wed, 7 Aug 2002 04:05:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:37:44 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_499400_19143 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS189_4 Current information on models submitted in prediction T0157TS189 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 casp5@bialko.llnl.gov T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS189_1 PIN_461859_19130 5035-2079-5263 08/07/02 03:33:58 casp5@bialko.llnl.gov T0157TS189_4 PIN_499400_19143 5035-2079-5263 08/07/02 03:37:44 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 T0157 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1KCF_A # Loading PARENT structure: 1kcf (chain: A) # Number of residues in PARENT structure: 240 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # 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 G 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 L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue F 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue T 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue I 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue P 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue P 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue K 34 # IMPORTANT NOTE! Not complete main chain atoms for residue A 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 79 # Total number of atoms in model: 79 # Number of atoms with 1.0 occupancy: 79 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 79 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1KCF_A ATOM 38 CA MET 1 3.059 45.234 -7.812 1.00 1.00 ATOM 39 CA SER 2 4.592 42.578 -5.550 1.00 1.00 ATOM 40 CA GLY 3 7.755 42.002 -7.567 1.00 1.00 ATOM 41 CA THR 4 11.010 43.907 -7.048 1.00 1.00 ATOM 42 CA LEU 5 9.847 45.305 -3.716 1.00 1.00 ATOM 43 CA LEU 6 12.510 47.350 -1.928 1.00 1.00 ATOM 44 CA ALA 7 11.868 47.665 1.797 1.00 1.00 ATOM 45 CA PHE 8 13.898 50.372 3.520 1.00 1.00 ATOM 46 CA ASP 9 14.489 51.030 7.213 1.00 1.00 ATOM 47 CA PHE 10 15.675 54.636 7.423 1.00 1.00 ATOM 48 CA GLY 11 18.807 55.162 9.470 1.00 1.00 ATOM 49 CA THR 12 22.293 56.504 8.832 1.00 1.00 ATOM 50 CA LYS 13 24.610 54.251 10.817 1.00 1.00 ATOM 51 CA SER 14 22.177 51.346 10.506 1.00 1.00 ATOM 52 CA ILE 15 20.463 51.829 7.155 1.00 1.00 ATOM 53 CA GLY 16 18.700 48.564 6.396 1.00 1.00 ATOM 54 CA VAL 17 17.019 47.286 3.239 1.00 1.00 ATOM 55 CA ALA 18 15.414 44.107 1.917 1.00 1.00 ATOM 56 CA VAL 19 14.792 43.639 -1.809 1.00 1.00 ATOM 57 CA GLY 20 12.284 40.879 -2.546 1.00 1.00 ATOM 58 CA GLN 21 9.576 39.526 -4.862 1.00 1.00 ATOM 59 CA ARG 22 6.396 37.527 -4.282 1.00 1.00 ATOM 60 CA ILE 23 6.495 33.967 -5.603 1.00 1.00 ATOM 61 CA THR 24 3.775 32.194 -7.592 1.00 1.00 ATOM 62 CA GLY 25 3.357 30.082 -4.460 1.00 1.00 ATOM 63 CA THR 26 2.697 33.371 -2.659 1.00 1.00 ATOM 64 CA ALA 27 6.091 32.912 -1.020 1.00 1.00 ATOM 65 CA ARG 28 8.445 35.810 -0.404 1.00 1.00 ATOM 66 CA PRO 29 11.745 35.549 -2.253 1.00 1.00 ATOM 67 CA LEU 30 14.632 37.659 -0.982 1.00 1.00 ATOM 68 CA PRO 31 17.097 38.897 -3.614 1.00 1.00 ATOM 69 CA ALA 32 19.241 41.247 -1.542 1.00 1.00 ATOM 70 CA ILE 33 19.285 41.951 2.162 1.00 1.00 ATOM 71 CA LYS 34 21.624 44.028 4.303 1.00 1.00 ATOM 72 CA ALA 35 22.253 46.639 7.000 1.00 1.00 ATOM 73 CA GLN 36 24.827 49.342 6.330 1.00 1.00 ATOM 74 CA ASP 37 26.604 52.127 8.174 1.00 1.00 ATOM 75 CA GLY 38 26.651 55.017 5.700 1.00 1.00 ATOM 76 CA THR 39 29.434 56.646 7.743 1.00 1.00 ATOM 77 CA PRO 40 32.002 53.911 7.091 1.00 1.00 ATOM 78 CA ASP 41 32.873 51.574 4.232 1.00 1.00 ATOM 79 CA TRP 42 29.681 49.772 3.228 1.00 1.00 ATOM 80 CA GLY 60 28.223 47.422 0.640 1.00 1.00 ATOM 81 CA LEU 61 26.337 50.249 -1.068 1.00 1.00 ATOM 82 CA PRO 62 29.657 51.797 -2.083 1.00 1.00 ATOM 83 CA LEU 63 28.708 55.150 -0.571 1.00 1.00 ATOM 84 CA ASN 64 31.563 57.478 0.333 1.00 1.00 ATOM 85 CA MET 65 30.174 60.057 2.730 1.00 1.00 ATOM 86 CA ASP 66 31.776 61.958 5.591 1.00 1.00 ATOM 87 CA GLY 67 29.579 62.320 8.667 1.00 1.00 ATOM 88 CA THR 68 28.089 65.820 8.556 1.00 1.00 ATOM 89 CA GLU 69 24.443 66.568 9.260 1.00 1.00 ATOM 92 CA GLN 70 24.048 70.432 2.157 1.00 1.00 ATOM 93 CA PRO 71 25.842 67.313 3.394 1.00 1.00 ATOM 94 CA LEU 72 22.598 65.372 3.795 1.00 1.00 ATOM 95 CA THR 73 21.465 66.252 0.274 1.00 1.00 ATOM 96 CA ALA 74 24.745 64.740 -0.884 1.00 1.00 ATOM 97 CA ARG 75 24.046 61.535 1.037 1.00 1.00 ATOM 98 CA ALA 76 20.415 61.431 -0.095 1.00 1.00 ATOM 99 CA ARG 77 21.430 61.806 -3.741 1.00 1.00 ATOM 100 CA LYS 78 24.001 58.998 -3.632 1.00 1.00 ATOM 101 CA PHE 79 21.656 56.738 -1.684 1.00 1.00 ATOM 102 CA ALA 80 18.877 57.552 -4.146 1.00 1.00 ATOM 103 CA ASN 81 20.963 56.801 -7.243 1.00 1.00 ATOM 104 CA ARG 82 22.687 53.781 -5.746 1.00 1.00 ATOM 105 CA ILE 83 19.395 52.117 -4.808 1.00 1.00 ATOM 106 CA HIS 84 17.815 52.751 -8.240 1.00 1.00 ATOM 107 CA GLY 85 20.817 51.592 -10.255 1.00 1.00 ATOM 108 CA ARG 86 21.454 48.542 -8.100 1.00 1.00 ATOM 109 CA PHE 87 17.888 47.321 -7.613 1.00 1.00 ATOM 110 CA GLY 88 15.707 49.184 -10.113 1.00 1.00 ATOM 111 CA VAL 89 12.599 48.640 -7.904 1.00 1.00 ATOM 112 CA GLU 90 8.946 48.572 -8.900 1.00 1.00 ATOM 113 CA VAL 91 8.036 49.520 -5.345 1.00 1.00 ATOM 114 CA LYS 92 9.904 51.206 -2.512 1.00 1.00 ATOM 115 CA LEU 93 8.652 50.857 1.051 1.00 1.00 ATOM 116 CA HIS 94 9.935 53.409 3.534 1.00 1.00 ATOM 117 CA ASP 95 9.776 53.224 7.305 1.00 1.00 ATOM 118 CA GLU 96 11.949 54.815 9.976 1.00 1.00 TER END ################################ # # # END # # # ################################