From mailer@bialko.llnl.gov Tue Jul 16 19:06:08 2002 Date: Tue, 16 Jul 2002 19:06:02 -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 18:38:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_501600_12206 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150SS389_1 Current information on models submitted in prediction T0150SS389 MODEL_INDEX PIN CODE DATE E-mail T0150SS389_1 PIN_501600_12206 1549-8716-6404 07/16/02 18:38:52 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150SS389_1 PIN_501600_12206 1549-8716-6404 07/16/02 18:38:52 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0150 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: 102 # Number of residues with nonzero confidence: 102 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0150 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0150.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0150.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0150.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 T0150.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0150 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 T0150.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 77 METHOD METHOD ============================================ METHOD Comments from T0150.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0150 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 T0150.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 77 METHOD METHOD ============================================ METHOD Comments from T0150.t2k.str.rdb METHOD ============================================ METHOD TARGET T0150 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 T0150.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 77 METHOD METHOD ============================================ MODEL 1 G C 0.82 S H 0.55 V H 0.78 D H 0.82 F H 0.93 A H 0.96 F H 0.97 E H 0.97 L H 0.97 R H 0.97 K H 0.97 A H 0.97 Q H 0.96 D H 0.87 T C 0.52 G C 0.95 K C 0.89 I E 0.52 V E 0.56 M C 0.50 G C 0.61 A H 0.75 R H 0.92 K H 0.95 S H 0.96 I H 0.97 Q H 0.97 Y H 0.97 A H 0.97 K H 0.93 M C 0.58 G C 0.93 G C 0.95 A C 0.79 K E 0.59 L E 0.97 I E 0.98 I E 0.98 V E 0.93 A E 0.60 R C 0.77 N C 0.85 A C 0.91 R C 0.94 P H 0.63 D H 0.69 I H 0.81 K H 0.85 E H 0.83 D H 0.82 I H 0.93 E H 0.97 Y H 0.97 Y H 0.97 A H 0.97 R H 0.96 L H 0.89 S C 0.58 G C 0.97 I C 0.93 P C 0.67 V E 0.90 Y E 0.96 E E 0.96 F E 0.93 E E 0.60 G C 0.82 T C 0.87 S H 0.73 V H 0.86 E H 0.85 L H 0.88 G H 0.82 T H 0.83 L H 0.76 L C 0.54 G C 0.94 R C 0.90 P C 0.81 H C 0.64 T E 0.57 V E 0.89 S E 0.96 A E 0.97 L E 0.97 A E 0.96 V E 0.92 V E 0.77 D C 0.71 P C 0.87 G C 0.83 E H 0.62 S H 0.82 R H 0.86 I H 0.88 L H 0.86 A H 0.78 L H 0.74 G H 0.52 G C 0.61 K C 0.74 E C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:15:19 2002 Date: Mon, 22 Jul 2002 08:15:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 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 Mon Jul 22 07:47:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_594615_12849 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS189_1 Current information on models submitted in prediction T0150TS189 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 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 T0150 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1CK9_A # Loading PARENT structure: 1ck9 (chain: A) # Number of residues in PARENT structure: 104 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue L 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 97 # Total number of atoms in model: 97 # Number of atoms with 1.0 occupancy: 97 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 97 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1CK9_A ATOM 8 CA VAL 1 9.898 8.394 -21.196 1.00 1.00 ATOM 9 CA ASP 2 7.984 8.512 -24.550 1.00 1.00 ATOM 10 CA PHE 3 6.092 5.479 -23.106 1.00 1.00 ATOM 11 CA ALA 4 4.103 8.367 -21.403 1.00 1.00 ATOM 12 CA PHE 5 3.393 9.976 -24.829 1.00 1.00 ATOM 13 CA GLU 6 2.174 6.681 -26.428 1.00 1.00 ATOM 14 CA LEU 7 0.255 5.732 -23.218 1.00 1.00 ATOM 15 CA ARG 8 -1.528 9.154 -23.067 1.00 1.00 ATOM 16 CA LYS 9 -2.282 8.743 -26.821 1.00 1.00 ATOM 17 CA ALA 10 -3.896 5.412 -25.705 1.00 1.00 ATOM 18 CA GLN 11 -5.638 6.799 -22.507 1.00 1.00 ATOM 19 CA ASP 12 -7.404 9.304 -24.874 1.00 1.00 ATOM 20 CA THR 13 -9.908 6.404 -25.435 1.00 1.00 ATOM 21 CA GLY 14 -8.295 3.051 -24.331 1.00 1.00 ATOM 22 CA LYS 15 -9.104 1.762 -20.819 1.00 1.00 ATOM 23 CA ILE 16 -6.891 2.103 -17.737 1.00 1.00 ATOM 24 CA VAL 17 -6.680 2.107 -13.862 1.00 1.00 ATOM 25 CA MET 18 -4.634 4.380 -11.447 1.00 1.00 ATOM 26 CA GLY 19 -2.969 3.973 -7.986 1.00 1.00 ATOM 27 CA ALA 20 -2.115 0.798 -5.966 1.00 1.00 ATOM 28 CA ARG 21 -5.656 -0.266 -4.829 1.00 1.00 ATOM 29 CA LYS 22 -7.161 0.549 -8.303 1.00 1.00 ATOM 30 CA SER 23 -4.532 -1.433 -10.245 1.00 1.00 ATOM 31 CA ILE 24 -4.588 -4.317 -7.654 1.00 1.00 ATOM 32 CA GLN 25 -8.439 -4.377 -7.982 1.00 1.00 ATOM 33 CA TYR 26 -8.509 -4.674 -11.813 1.00 1.00 ATOM 34 CA ALA 27 -5.385 -6.912 -11.966 1.00 1.00 ATOM 35 CA LYS 28 -7.243 -9.291 -9.539 1.00 1.00 ATOM 36 CA MET 29 -10.214 -8.943 -11.973 1.00 1.00 ATOM 37 CA GLY 30 -7.668 -10.443 -14.509 1.00 1.00 ATOM 38 CA GLY 31 -8.546 -7.651 -16.981 1.00 1.00 ATOM 39 CA ALA 32 -5.168 -5.941 -17.780 1.00 1.00 ATOM 40 CA LYS 33 -2.536 -6.569 -20.498 1.00 1.00 ATOM 41 CA LEU 34 0.120 -4.044 -19.212 1.00 1.00 ATOM 42 CA ILE 35 1.098 -2.548 -15.787 1.00 1.00 ATOM 43 CA ILE 36 3.268 0.575 -15.382 1.00 1.00 ATOM 44 CA VAL 37 5.137 0.968 -12.084 1.00 1.00 ATOM 45 CA ALA 38 6.745 4.448 -12.070 1.00 1.00 ATOM 46 CA ARG 39 8.541 4.206 -8.709 1.00 1.00 ATOM 47 CA ASN 40 11.856 2.644 -7.496 1.00 1.00 ATOM 48 CA ALA 41 9.543 0.089 -5.919 1.00 1.00 ATOM 49 CA ARG 42 10.626 -2.144 -2.951 1.00 1.00 ATOM 50 CA PRO 43 10.942 -5.926 -3.512 1.00 1.00 ATOM 51 CA ASP 44 7.748 -7.063 -1.672 1.00 1.00 ATOM 52 CA ILE 45 5.580 -4.342 -3.344 1.00 1.00 ATOM 53 CA LYS 46 7.003 -4.772 -6.876 1.00 1.00 ATOM 54 CA GLU 47 6.654 -8.569 -6.407 1.00 1.00 ATOM 55 CA ASP 48 2.968 -8.337 -5.323 1.00 1.00 ATOM 56 CA ILE 49 2.193 -6.192 -8.471 1.00 1.00 ATOM 57 CA GLU 50 4.262 -8.665 -10.516 1.00 1.00 ATOM 58 CA TYR 51 2.253 -11.547 -8.895 1.00 1.00 ATOM 59 CA TYR 52 -1.035 -9.888 -10.013 1.00 1.00 ATOM 60 CA ALA 53 0.547 -9.291 -13.484 1.00 1.00 ATOM 61 CA ARG 54 1.249 -13.117 -13.497 1.00 1.00 ATOM 62 CA LEU 55 -2.290 -14.040 -12.173 1.00 1.00 ATOM 63 CA SER 56 -3.727 -11.775 -14.896 1.00 1.00 ATOM 64 CA GLY 57 -1.892 -12.056 -18.303 1.00 1.00 ATOM 65 CA ILE 58 -0.074 -8.766 -18.072 1.00 1.00 ATOM 66 CA PRO 59 3.316 -7.226 -19.021 1.00 1.00 ATOM 67 CA VAL 60 5.306 -5.240 -16.380 1.00 1.00 ATOM 68 CA TYR 61 7.026 -1.890 -17.127 1.00 1.00 ATOM 69 CA GLU 62 9.261 -0.435 -14.358 1.00 1.00 ATOM 70 CA PHE 63 9.285 3.328 -15.232 1.00 1.00 ATOM 71 CA GLU 64 11.234 3.468 -11.957 1.00 1.00 ATOM 72 CA GLY 65 13.010 6.861 -12.441 1.00 1.00 ATOM 73 CA THR 66 11.787 8.719 -9.288 1.00 1.00 ATOM 74 CA SER 67 10.706 11.739 -11.445 1.00 1.00 ATOM 75 CA VAL 68 7.744 9.595 -12.708 1.00 1.00 ATOM 76 CA GLU 69 6.947 11.827 -15.757 1.00 1.00 ATOM 77 CA LEU 70 4.039 9.356 -16.414 1.00 1.00 ATOM 78 CA GLY 71 1.883 11.714 -14.259 1.00 1.00 ATOM 79 CA THR 72 1.654 13.783 -17.514 1.00 1.00 ATOM 80 CA LEU 73 -0.495 10.946 -19.038 1.00 1.00 ATOM 81 CA LEU 74 -2.732 10.380 -15.947 1.00 1.00 ATOM 82 CA GLY 75 -2.764 13.512 -13.679 1.00 1.00 ATOM 83 CA ARG 76 0.455 13.958 -11.564 1.00 1.00 ATOM 84 CA PRO 77 -1.441 14.257 -8.164 1.00 1.00 ATOM 85 CA HIS 78 -0.511 10.615 -7.235 1.00 1.00 ATOM 86 CA THR 79 3.221 11.752 -7.510 1.00 1.00 ATOM 87 CA VAL 80 4.261 8.110 -7.973 1.00 1.00 ATOM 88 CA SER 81 2.988 6.613 -11.266 1.00 1.00 ATOM 89 CA ALA 82 1.395 3.162 -10.788 1.00 1.00 ATOM 90 CA LEU 83 -0.982 2.574 -13.754 1.00 1.00 ATOM 91 CA ALA 84 -2.413 -0.394 -15.684 1.00 1.00 ATOM 92 CA VAL 85 -3.976 -0.763 -19.174 1.00 1.00 ATOM 93 CA VAL 86 -6.872 -3.076 -20.125 1.00 1.00 ATOM 94 CA ASP 87 -8.940 -2.500 -23.361 1.00 1.00 ATOM 95 CA PRO 88 -6.338 -0.393 -25.268 1.00 1.00 ATOM 96 CA GLY 89 -8.958 0.245 -28.063 1.00 1.00 ATOM 97 CA GLU 90 -6.883 3.187 -29.436 1.00 1.00 ATOM 98 CA SER 91 -3.164 2.371 -30.094 1.00 1.00 ATOM 99 CA ARG 92 -1.354 -1.009 -30.042 1.00 1.00 ATOM 100 CA ILE 93 0.822 -0.121 -26.975 1.00 1.00 ATOM 101 CA LEU 94 0.394 -3.311 -24.876 1.00 1.00 ATOM 102 CA ALA 95 0.833 -5.624 -27.913 1.00 1.00 ATOM 103 CA LEU 96 3.881 -3.479 -29.005 1.00 1.00 ATOM 104 CA GLY 97 5.519 -3.662 -25.498 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:15:51 2002 Date: Mon, 22 Jul 2002 08:15:46 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 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 Mon Jul 22 07:48:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_602217_12852 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS189_2 Current information on models submitted in prediction T0150TS189 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_2 PIN_602217_12852 5035-2079-5263 07/22/02 07:48:25 casp5@bialko.llnl.gov T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 casp5@bialko.llnl.gov T0150TS189_2 PIN_602217_12852 5035-2079-5263 07/22/02 07:48:25 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 T0150 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JJ2_F # Loading PARENT structure: 1jj2 (chain: F) # Number of residues in PARENT structure: 119 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S -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 V 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue K 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue E 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue S 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue H 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 94 # Total number of atoms in model: 94 # Number of atoms with 1.0 occupancy: 94 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 94 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JJ2_F ATOM 13 CA SER -1 118.658 122.200 -2.771 1.00 1.00 ATOM 14 CA VAL 1 118.430 124.865 -5.483 1.00 1.00 ATOM 15 CA ASP 2 119.235 122.418 -8.275 1.00 1.00 ATOM 16 CA PHE 3 116.590 120.136 -6.774 1.00 1.00 ATOM 17 CA ALA 4 113.849 122.754 -6.612 1.00 1.00 ATOM 18 CA PHE 5 114.779 123.980 -10.097 1.00 1.00 ATOM 19 CA GLU 6 114.421 120.411 -11.366 1.00 1.00 ATOM 20 CA LEU 7 111.069 120.174 -9.609 1.00 1.00 ATOM 21 CA ARG 8 109.731 123.245 -11.414 1.00 1.00 ATOM 22 CA LYS 9 110.660 121.857 -14.836 1.00 1.00 ATOM 23 CA ALA 10 109.064 118.625 -13.669 1.00 1.00 ATOM 24 CA GLN 11 105.603 120.119 -13.154 1.00 1.00 ATOM 25 CA ASP 12 105.801 121.693 -16.618 1.00 1.00 ATOM 26 CA THR 13 107.537 118.938 -18.599 1.00 1.00 ATOM 27 CA GLY 14 106.742 115.832 -16.581 1.00 1.00 ATOM 28 CA LYS 15 104.497 114.938 -13.668 1.00 1.00 ATOM 29 CA ILE 16 104.598 115.733 -9.953 1.00 1.00 ATOM 30 CA VAL 17 102.486 114.866 -6.927 1.00 1.00 ATOM 31 CA MET 18 101.926 117.608 -4.342 1.00 1.00 ATOM 32 CA GLY 19 101.000 116.850 -0.723 1.00 1.00 ATOM 33 CA ALA 20 102.158 114.216 1.764 1.00 1.00 ATOM 34 CA ARG 21 99.248 111.839 1.182 1.00 1.00 ATOM 35 CA LYS 22 99.667 111.795 -2.618 1.00 1.00 ATOM 36 CA SER 23 103.447 111.518 -2.207 1.00 1.00 ATOM 37 CA ILE 24 103.200 108.573 0.157 1.00 1.00 ATOM 38 CA GLN 25 101.124 106.770 -2.443 1.00 1.00 ATOM 39 CA TYR 26 103.771 107.300 -5.157 1.00 1.00 ATOM 40 CA ALA 27 106.436 105.606 -3.058 1.00 1.00 ATOM 41 CA LYS 28 104.015 102.784 -2.283 1.00 1.00 ATOM 42 CA MET 29 102.855 102.421 -5.886 1.00 1.00 ATOM 43 CA GLY 30 106.468 102.717 -7.038 1.00 1.00 ATOM 44 CA GLY 31 105.625 105.532 -9.461 1.00 1.00 ATOM 45 CA ALA 32 107.888 107.931 -7.549 1.00 1.00 ATOM 46 CA LYS 33 111.332 108.816 -8.935 1.00 1.00 ATOM 47 CA LEU 34 112.353 111.560 -6.532 1.00 1.00 ATOM 48 CA ILE 35 110.539 112.706 -3.405 1.00 1.00 ATOM 49 CA ILE 36 111.036 116.025 -1.644 1.00 1.00 ATOM 50 CA VAL 37 110.499 116.510 2.079 1.00 1.00 ATOM 51 CA ALA 38 110.466 119.829 3.941 1.00 1.00 ATOM 52 CA ARG 39 112.361 120.187 7.223 1.00 1.00 ATOM 53 CA ASN 40 110.218 122.836 8.878 1.00 1.00 ATOM 54 CA ALA 41 107.251 120.470 9.263 1.00 1.00 ATOM 55 CA ARG 42 105.348 120.694 12.570 1.00 1.00 ATOM 56 CA PRO 43 104.132 118.207 13.722 1.00 1.00 ATOM 58 CA ASP 44 104.516 113.084 12.442 1.00 1.00 ATOM 59 CA ILE 45 103.218 114.067 9.036 1.00 1.00 ATOM 60 CA LYS 46 106.510 113.227 7.330 1.00 1.00 ATOM 61 CA GLU 47 108.345 110.921 9.792 1.00 1.00 ATOM 62 CA ASP 48 107.592 107.890 7.626 1.00 1.00 ATOM 63 CA ILE 49 108.890 109.220 4.295 1.00 1.00 ATOM 64 CA GLU 50 112.585 108.351 4.833 1.00 1.00 ATOM 65 CA TYR 51 112.385 104.678 5.842 1.00 1.00 ATOM 66 CA TYR 52 109.433 104.103 3.521 1.00 1.00 ATOM 67 CA ALA 53 111.416 105.538 0.626 1.00 1.00 ATOM 68 CA ARG 54 114.391 103.352 1.567 1.00 1.00 ATOM 69 CA LEU 55 112.570 100.015 1.480 1.00 1.00 ATOM 70 CA SER 56 111.070 101.063 -1.863 1.00 1.00 ATOM 71 CA GLY 57 114.294 102.109 -3.573 1.00 1.00 ATOM 72 CA ILE 58 112.830 105.586 -4.129 1.00 1.00 ATOM 73 CA PRO 59 115.328 108.469 -3.695 1.00 1.00 ATOM 74 CA TYR 61 114.532 111.446 -1.476 1.00 1.00 ATOM 75 CA GLU 62 115.889 114.916 -0.785 1.00 1.00 ATOM 76 CA PHE 63 115.333 117.418 2.035 1.00 1.00 ATOM 77 CA GLU 64 114.311 121.052 1.536 1.00 1.00 ATOM 78 CA GLY 65 114.562 123.594 4.359 1.00 1.00 ATOM 79 CA THR 66 111.498 125.743 3.597 1.00 1.00 ATOM 80 CA SER 67 108.002 124.260 3.375 1.00 1.00 ATOM 81 CA VAL 68 106.734 127.194 1.303 1.00 1.00 ATOM 82 CA GLU 69 109.592 126.880 -1.168 1.00 1.00 ATOM 83 CA LEU 70 108.721 123.267 -1.931 1.00 1.00 ATOM 84 CA GLY 71 105.086 124.231 -2.373 1.00 1.00 ATOM 85 CA THR 72 105.903 127.148 -4.663 1.00 1.00 ATOM 86 CA LEU 73 108.362 125.013 -6.627 1.00 1.00 ATOM 87 CA LEU 74 105.664 122.343 -6.967 1.00 1.00 ATOM 88 CA GLY 75 103.419 125.055 -8.340 1.00 1.00 ATOM 89 CA ARG 76 101.242 125.716 -5.301 1.00 1.00 ATOM 90 CA PRO 77 100.082 129.027 -3.883 1.00 1.00 ATOM 91 CA HIS 78 100.327 127.354 -0.462 1.00 1.00 ATOM 92 CA THR 79 103.189 125.371 1.048 1.00 1.00 ATOM 93 CA VAL 80 103.869 121.647 0.858 1.00 1.00 ATOM 94 CA SER 81 105.333 119.242 3.405 1.00 1.00 ATOM 95 CA ALA 82 106.270 116.716 0.734 1.00 1.00 ATOM 96 CA LEU 83 106.339 116.357 -3.027 1.00 1.00 ATOM 97 CA ALA 84 107.076 113.593 -5.484 1.00 1.00 ATOM 98 CA VAL 85 108.372 114.031 -9.007 1.00 1.00 ATOM 99 CA VAL 86 106.332 111.293 -10.647 1.00 1.00 ATOM 100 CA ASP 87 108.337 110.862 -13.849 1.00 1.00 ATOM 101 CA PRO 88 110.545 113.897 -14.511 1.00 1.00 ATOM 102 CA GLY 89 110.425 116.060 -17.605 1.00 1.00 ATOM 103 CA GLU 90 113.292 117.593 -19.550 1.00 1.00 ATOM 104 CA SER 91 115.090 117.026 -16.256 1.00 1.00 ATOM 105 CA ARG 92 115.371 113.238 -16.015 1.00 1.00 ATOM 106 CA ILE 93 119.089 113.926 -16.400 1.00 1.00 ATOM 107 CA LEU 94 119.725 116.668 -13.858 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 08:16:50 2002 Date: Mon, 22 Jul 2002 08:16:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0150 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 07:49:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_608703_12857 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0150TS189_3 Current information on models submitted in prediction T0150TS189 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_3 PIN_608703_12857 5035-2079-5263 07/22/02 07:49:28 casp5@bialko.llnl.gov T0150TS189_2 PIN_602217_12852 5035-2079-5263 07/22/02 07:48:25 casp5@bialko.llnl.gov T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 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 T0150 MODEL_INDEX PIN CODE DATE E-mail T0150TS189_1 PIN_594615_12849 5035-2079-5263 07/22/02 07:47:47 casp5@bialko.llnl.gov T0150TS189_2 PIN_602217_12852 5035-2079-5263 07/22/02 07:48:25 casp5@bialko.llnl.gov T0150TS189_3 PIN_608703_12857 5035-2079-5263 07/22/02 07:49:28 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 T0150 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1DT9_A # Loading PARENT structure: 1dt9 (chain: A) # Number of residues in PARENT structure: 398 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue T 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue K 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue M 18 # IMPORTANT NOTE! Not complete main chain atoms for residue G 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue M 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue R 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0150 # Total number of residues in target: 102 # Total number of residues in model: 37 # Total number of atoms in model: 37 # Number of atoms with 1.0 occupancy: 37 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 37 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0150 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1DT9_A ATOM 290 CA GLU 6 71.667 28.395 123.896 1.00 1.00 ATOM 291 CA LEU 7 71.549 25.007 122.142 1.00 1.00 ATOM 292 CA ARG 8 73.145 26.873 119.223 1.00 1.00 ATOM 293 CA LYS 9 76.400 27.599 121.140 1.00 1.00 ATOM 294 CA ALA 10 76.603 23.980 122.085 1.00 1.00 ATOM 295 CA GLN 11 76.236 23.243 118.403 1.00 1.00 ATOM 297 CA ASP 12 82.494 25.832 117.365 1.00 1.00 ATOM 298 CA THR 13 82.043 29.322 118.868 1.00 1.00 ATOM 299 CA GLY 14 80.850 27.377 121.888 1.00 1.00 ATOM 300 CA LYS 15 80.246 30.227 124.364 1.00 1.00 ATOM 301 CA ILE 16 78.200 28.021 126.619 1.00 1.00 ATOM 302 CA VAL 17 78.280 26.373 130.049 1.00 1.00 ATOM 303 CA MET 18 76.135 24.073 132.120 1.00 1.00 ATOM 304 CA GLY 19 75.838 21.909 135.221 1.00 1.00 ATOM 305 CA ALA 20 76.136 23.491 138.700 1.00 1.00 ATOM 306 CA ARG 21 79.891 23.343 139.188 1.00 1.00 ATOM 307 CA LYS 22 81.016 25.021 135.967 1.00 1.00 ATOM 308 CA SER 23 78.136 27.461 135.880 1.00 1.00 ATOM 309 CA ILE 24 78.826 28.735 139.360 1.00 1.00 ATOM 310 CA GLN 25 82.495 28.580 138.378 1.00 1.00 ATOM 311 CA TYR 26 81.885 30.524 135.159 1.00 1.00 ATOM 312 CA ALA 27 79.472 32.768 137.021 1.00 1.00 ATOM 313 CA LYS 28 81.978 33.402 139.817 1.00 1.00 ATOM 314 CA MET 29 84.737 34.313 137.390 1.00 1.00 ATOM 315 CA GLY 30 84.057 36.758 134.593 1.00 1.00 ATOM 316 CA GLY 31 80.824 37.883 132.999 1.00 1.00 ATOM 317 CA ALA 32 78.562 35.151 131.448 1.00 1.00 ATOM 318 CA LYS 33 75.726 36.999 129.607 1.00 1.00 ATOM 319 CA LEU 34 72.588 35.124 130.589 1.00 1.00 ATOM 320 CA ILE 35 72.106 32.633 133.367 1.00 1.00 ATOM 321 CA ILE 36 69.546 30.052 132.495 1.00 1.00 ATOM 322 CA VAL 37 67.779 28.129 135.197 1.00 1.00 ATOM 323 CA ALA 38 64.792 25.766 135.380 1.00 1.00 ATOM 324 CA ARG 39 61.866 26.977 137.620 1.00 1.00 ATOM 325 CA ASN 40 62.181 23.839 139.747 1.00 1.00 ATOM 326 CA ALA 41 65.639 22.565 140.480 1.00 1.00 ATOM 327 CA ARG 42 65.978 19.955 143.111 1.00 1.00 TER END ################################ # # # END # # # ################################