From mailer@bialko.llnl.gov Fri Aug 16 06:09:18 2002 Date: Fri, 16 Aug 2002 06:09:12 -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 Aug 16 05:41:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_541509_25725 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188SS389_1 Current information on models submitted in prediction T0188SS389 MODEL_INDEX PIN CODE DATE E-mail T0188SS389_1 PIN_541509_25725 1549-8716-6404 08/16/02 05:41:14 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188SS389_1 PIN_541509_25725 1549-8716-6404 08/16/02 05:41:14 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 T0188 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: 124 # Number of residues with nonzero confidence: 124 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0188 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0188.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0188.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0188.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 T0188.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0188 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 T0188.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 38 METHOD METHOD ============================================ METHOD Comments from T0188.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0188 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 T0188.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 38 METHOD METHOD ============================================ METHOD Comments from T0188.t2k.str.rdb METHOD ============================================ METHOD TARGET T0188 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 T0188.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 38 METHOD METHOD ============================================ MODEL 1 M C 0.92 I E 0.66 I E 0.90 A E 0.92 I E 0.91 P E 0.75 V C 0.63 S C 0.84 E C 0.91 N C 0.87 R C 0.85 G C 0.87 K C 0.82 D C 0.84 S C 0.76 P C 0.61 I C 0.52 S C 0.58 E C 0.55 H C 0.55 F C 0.54 G C 0.68 R C 0.71 A C 0.77 P C 0.84 Y E 0.55 F E 0.93 A E 0.97 F E 0.98 V E 0.97 K E 0.95 V E 0.72 K C 0.77 N C 0.94 N C 0.92 A E 0.52 I E 0.89 A E 0.93 D E 0.94 I E 0.90 S E 0.88 V E 0.83 E E 0.73 E E 0.53 N C 0.76 P C 0.80 L C 0.62 A C 0.56 Q C 0.62 D C 0.72 H C 0.81 V C 0.80 H C 0.76 G C 0.59 A C 0.47 V H 0.88 P H 0.94 N H 0.95 F H 0.96 V H 0.95 K H 0.95 E H 0.88 K C 0.60 G C 0.98 A C 0.94 E C 0.57 L E 0.98 V E 0.98 I E 0.98 V E 0.93 R C 0.61 G C 0.82 I C 0.81 G C 0.90 R H 0.63 R H 0.77 A H 0.96 I H 0.97 A H 0.97 A H 0.97 F H 0.97 E H 0.97 A H 0.91 M C 0.64 G C 0.98 V C 0.93 K E 0.66 V E 0.93 I E 0.95 K E 0.92 G E 0.51 A C 0.88 S C 0.94 G C 0.88 T C 0.75 V H 0.92 E H 0.96 E H 0.97 V H 0.97 V H 0.97 N H 0.96 Q H 0.95 Y H 0.94 L H 0.80 S C 0.59 G C 0.82 Q C 0.81 L C 0.67 K C 0.64 D C 0.49 S C 0.58 D C 0.66 Y C 0.76 E C 0.79 V C 0.78 H C 0.80 D C 0.83 H C 0.84 H C 0.84 H C 0.81 H C 0.82 E C 0.80 H C 0.83 H C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:30:41 2002 Date: Thu, 22 Aug 2002 12:30:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 Thu Aug 22 12:01:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_153635_31222 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS189_1 Current information on models submitted in prediction T0188TS189 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1EO1_A # Loading PARENT structure: 1eo1 (chain: A) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 6 # IMPORTANT NOTE! Not complete main chain atoms for residue V 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue E 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue D 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue N 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue H 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue H 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 120 # Total number of atoms in model: 120 # Number of atoms with 1.0 occupancy: 120 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 120 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1EO1_A ATOM 1 CA MET 1 7.771 1.163 -4.872 1.00 1.00 ATOM 2 CA ILE 2 4.199 1.217 -3.514 1.00 1.00 ATOM 3 CA ILE 3 1.578 -1.184 -4.925 1.00 1.00 ATOM 4 CA ALA 4 -2.014 0.117 -4.984 1.00 1.00 ATOM 5 CA ILE 5 -4.899 -2.319 -5.587 1.00 1.00 ATOM 6 CA PRO 6 -7.956 -0.587 -7.089 1.00 1.00 ATOM 7 CA VAL 7 -11.192 -1.344 -5.202 1.00 1.00 ATOM 8 CA SER 8 -10.035 -4.567 -3.491 1.00 1.00 ATOM 9 CA GLU 9 -13.001 -3.938 -1.162 1.00 1.00 ATOM 10 CA ASN 10 -11.948 -3.209 2.437 1.00 1.00 ATOM 11 CA GLY 12 -11.530 -6.706 3.934 1.00 1.00 ATOM 12 CA LYS 13 -11.386 -9.876 1.801 1.00 1.00 ATOM 13 CA ASP 14 -14.719 -10.135 -0.054 1.00 1.00 ATOM 14 CA SER 15 -14.344 -7.611 -2.899 1.00 1.00 ATOM 15 CA PRO 16 -11.870 -9.603 -5.019 1.00 1.00 ATOM 16 CA ILE 17 -10.847 -6.715 -7.307 1.00 1.00 ATOM 17 CA SER 18 -14.566 -5.831 -7.447 1.00 1.00 ATOM 18 CA GLU 19 -14.820 -5.569 -11.259 1.00 1.00 ATOM 19 CA HIS 20 -13.522 -2.498 -13.131 1.00 1.00 ATOM 20 CA PHE 21 -11.603 0.622 -12.044 1.00 1.00 ATOM 21 CA GLY 22 -13.504 3.897 -12.577 1.00 1.00 ATOM 22 CA ARG 23 -15.014 5.340 -9.377 1.00 1.00 ATOM 23 CA ALA 24 -14.013 2.607 -6.901 1.00 1.00 ATOM 24 CA PRO 25 -14.216 4.565 -3.627 1.00 1.00 ATOM 25 CA TYR 26 -11.797 2.120 -1.943 1.00 1.00 ATOM 26 CA PHE 27 -8.214 2.226 -3.270 1.00 1.00 ATOM 27 CA ALA 28 -6.087 -0.063 -1.068 1.00 1.00 ATOM 28 CA PHE 29 -2.485 1.112 -0.572 1.00 1.00 ATOM 29 CA VAL 30 0.382 -1.335 0.050 1.00 1.00 ATOM 30 CA LYS 31 3.799 0.108 0.976 1.00 1.00 ATOM 31 CA VAL 32 6.076 -2.871 0.232 1.00 1.00 ATOM 32 CA LYS 33 9.749 -2.498 1.227 1.00 1.00 ATOM 33 CA ASN 34 11.726 -5.769 1.168 1.00 1.00 ATOM 34 CA ASN 35 9.156 -8.068 -0.486 1.00 1.00 ATOM 35 CA ALA 36 7.264 -7.844 2.828 1.00 1.00 ATOM 36 CA ILE 37 4.216 -5.548 3.057 1.00 1.00 ATOM 37 CA ALA 38 5.284 -3.145 5.830 1.00 1.00 ATOM 38 CA ASP 39 2.008 -1.180 5.733 1.00 1.00 ATOM 39 CA ILE 40 -1.421 -2.215 4.406 1.00 1.00 ATOM 40 CA SER 41 -4.026 0.566 4.526 1.00 1.00 ATOM 41 CA VAL 42 -7.087 1.567 2.467 1.00 1.00 ATOM 42 CA GLU 43 -8.416 5.003 1.447 1.00 1.00 ATOM 43 CA GLU 44 -12.057 5.548 0.420 1.00 1.00 ATOM 44 CA ASN 45 -13.125 8.270 -2.042 1.00 1.00 ATOM 45 CA PRO 46 -14.616 11.460 -0.585 1.00 1.00 ATOM 46 CA LEU 47 -17.473 12.519 -2.896 1.00 1.00 ATOM 47 CA ALA 48 -17.341 10.237 -5.962 1.00 1.00 ATOM 48 CA GLN 49 -21.097 10.776 -6.425 1.00 1.00 ATOM 49 CA ASP 50 -21.476 14.579 -6.451 1.00 1.00 ATOM 52 CA HIS 51 -16.283 14.888 -13.845 1.00 1.00 ATOM 53 CA VAL 52 -14.613 12.599 -11.281 1.00 1.00 ATOM 54 CA HIS 53 -13.925 8.869 -10.808 1.00 1.00 ATOM 55 CA GLY 54 -10.781 8.623 -12.965 1.00 1.00 ATOM 56 CA ALA 55 -9.659 11.929 -11.411 1.00 1.00 ATOM 57 CA VAL 56 -8.683 10.035 -8.239 1.00 1.00 ATOM 58 CA PRO 57 -5.602 8.949 -10.221 1.00 1.00 ATOM 59 CA ASN 58 -3.974 12.369 -9.700 1.00 1.00 ATOM 60 CA PHE 59 -4.176 11.660 -5.948 1.00 1.00 ATOM 61 CA VAL 60 -2.853 8.093 -6.332 1.00 1.00 ATOM 62 CA LYS 61 0.326 9.642 -7.787 1.00 1.00 ATOM 63 CA GLU 62 0.605 12.131 -4.902 1.00 1.00 ATOM 64 CA LYS 63 0.666 9.153 -2.507 1.00 1.00 ATOM 65 CA GLY 64 3.856 7.802 -4.131 1.00 1.00 ATOM 66 CA ALA 65 1.880 4.822 -5.488 1.00 1.00 ATOM 67 CA GLU 66 4.513 3.804 -8.050 1.00 1.00 ATOM 68 CA LEU 67 2.253 0.843 -8.908 1.00 1.00 ATOM 69 CA VAL 68 -1.438 0.995 -9.891 1.00 1.00 ATOM 70 CA ILE 69 -3.109 -2.373 -10.575 1.00 1.00 ATOM 71 CA VAL 70 -6.624 -1.730 -11.929 1.00 1.00 ATOM 72 CA ARG 71 -8.986 -2.886 -14.696 1.00 1.00 ATOM 73 CA GLY 72 -10.545 0.381 -15.927 1.00 1.00 ATOM 74 CA ILE 73 -12.664 -0.121 -19.060 1.00 1.00 ATOM 75 CA GLY 74 -10.561 1.675 -21.705 1.00 1.00 ATOM 76 CA ARG 75 -7.159 3.367 -22.007 1.00 1.00 ATOM 77 CA ARG 76 -8.624 6.458 -20.297 1.00 1.00 ATOM 78 CA ALA 77 -6.999 5.844 -16.892 1.00 1.00 ATOM 79 CA ILE 78 -3.948 4.116 -18.415 1.00 1.00 ATOM 80 CA ALA 79 -3.688 7.266 -20.562 1.00 1.00 ATOM 81 CA ALA 80 -2.938 9.637 -17.666 1.00 1.00 ATOM 82 CA PHE 81 -1.039 7.091 -15.544 1.00 1.00 ATOM 83 CA GLU 82 1.216 6.878 -18.622 1.00 1.00 ATOM 84 CA ALA 83 1.701 10.648 -19.051 1.00 1.00 ATOM 85 CA MET 84 2.467 10.692 -15.308 1.00 1.00 ATOM 86 CA GLY 85 5.428 8.275 -15.253 1.00 1.00 ATOM 87 CA VAL 86 4.061 5.696 -12.787 1.00 1.00 ATOM 88 CA LYS 87 3.889 1.923 -13.369 1.00 1.00 ATOM 89 CA VAL 88 0.469 0.936 -14.762 1.00 1.00 ATOM 90 CA ILE 89 -0.828 -2.582 -14.029 1.00 1.00 ATOM 91 CA LYS 90 -3.727 -4.667 -15.384 1.00 1.00 ATOM 92 CA GLY 91 -5.993 -6.753 -13.117 1.00 1.00 ATOM 93 CA ALA 92 -7.255 -9.725 -15.166 1.00 1.00 ATOM 94 CA SER 93 -9.308 -10.708 -12.097 1.00 1.00 ATOM 95 CA GLY 94 -8.406 -13.017 -9.188 1.00 1.00 ATOM 96 CA THR 95 -8.292 -11.492 -5.687 1.00 1.00 ATOM 97 CA VAL 96 -6.506 -8.831 -3.607 1.00 1.00 ATOM 98 CA GLU 97 -4.764 -11.272 -1.237 1.00 1.00 ATOM 99 CA GLU 98 -3.218 -13.126 -4.202 1.00 1.00 ATOM 100 CA VAL 99 -2.608 -9.867 -6.111 1.00 1.00 ATOM 101 CA VAL 100 -0.205 -8.777 -3.343 1.00 1.00 ATOM 102 CA ASN 101 2.074 -11.836 -3.579 1.00 1.00 ATOM 103 CA GLN 102 1.508 -11.583 -7.351 1.00 1.00 ATOM 104 CA TYR 103 3.268 -8.199 -7.615 1.00 1.00 ATOM 105 CA LEU 104 6.295 -9.588 -5.739 1.00 1.00 ATOM 106 CA SER 105 6.812 -12.134 -8.540 1.00 1.00 ATOM 107 CA GLY 106 6.066 -9.646 -11.345 1.00 1.00 ATOM 108 CA GLN 107 3.319 -11.996 -12.581 1.00 1.00 ATOM 109 CA LEU 108 0.713 -9.368 -13.524 1.00 1.00 ATOM 110 CA LYS 109 1.447 -7.124 -16.529 1.00 1.00 ATOM 111 CA ASP 110 2.504 -3.458 -16.350 1.00 1.00 ATOM 112 CA SER 111 2.864 -0.647 -18.915 1.00 1.00 ATOM 113 CA ASP 112 4.886 2.593 -18.774 1.00 1.00 ATOM 114 CA TYR 113 6.077 5.452 -21.012 1.00 1.00 ATOM 115 CA GLU 114 9.668 6.718 -20.772 1.00 1.00 ATOM 116 CA VAL 115 10.639 10.102 -22.262 1.00 1.00 ATOM 117 CA HIS 116 14.445 9.875 -22.019 1.00 1.00 ATOM 118 CA ASP 117 15.531 7.327 -24.651 1.00 1.00 ATOM 119 CA HIS 118 17.782 7.530 -27.733 1.00 1.00 ATOM 120 CA HIS 119 20.338 10.169 -26.676 1.00 1.00 ATOM 121 CA HIS 120 20.630 12.419 -29.750 1.00 1.00 ATOM 122 CA HIS 121 22.425 15.627 -28.710 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:30:51 2002 Date: Thu, 22 Aug 2002 12:30:45 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 Thu Aug 22 12:01:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_151616_31223 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS189_2 Current information on models submitted in prediction T0188TS189 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1QOR_A # Loading PARENT structure: 1qor (chain: A) # Number of residues in PARENT structure: 326 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 Q 107 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 60 # Total number of atoms in model: 60 # Number of atoms with 1.0 occupancy: 60 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 60 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1QOR_A ATOM 149 CA ALA 48 63.018 50.221 -7.876 1.00 1.00 ATOM 150 CA GLN 49 64.288 53.205 -9.907 1.00 1.00 ATOM 151 CA ASP 50 60.875 54.972 -9.990 1.00 1.00 ATOM 152 CA HIS 51 59.390 57.774 -7.906 1.00 1.00 ATOM 153 CA VAL 52 58.338 55.534 -5.086 1.00 1.00 ATOM 154 CA HIS 53 61.166 53.058 -5.900 1.00 1.00 ATOM 155 CA GLY 54 64.134 55.366 -5.351 1.00 1.00 ATOM 156 CA ALA 55 62.685 56.543 -2.018 1.00 1.00 ATOM 157 CA VAL 56 62.087 52.906 -1.050 1.00 1.00 ATOM 158 CA PRO 57 65.761 52.043 -1.810 1.00 1.00 ATOM 159 CA ASN 58 67.046 54.828 0.526 1.00 1.00 ATOM 160 CA PHE 59 64.589 54.120 3.289 1.00 1.00 ATOM 161 CA VAL 60 65.331 50.348 3.184 1.00 1.00 ATOM 162 CA LYS 61 69.091 51.096 3.440 1.00 1.00 ATOM 163 CA GLU 62 68.532 53.464 6.351 1.00 1.00 ATOM 164 CA LYS 63 66.607 50.649 8.073 1.00 1.00 ATOM 165 CA GLY 64 69.584 48.376 7.409 1.00 1.00 ATOM 166 CA ALA 65 67.485 46.079 5.296 1.00 1.00 ATOM 167 CA GLU 66 68.194 44.291 2.055 1.00 1.00 ATOM 168 CA LEU 67 65.991 45.419 -0.769 1.00 1.00 ATOM 169 CA VAL 68 66.212 43.315 -3.922 1.00 1.00 ATOM 170 CA ILE 69 64.756 45.603 -6.642 1.00 1.00 ATOM 171 CA VAL 70 63.540 44.946 -10.192 1.00 1.00 ATOM 172 CA ARG 71 64.021 47.519 -12.969 1.00 1.00 ATOM 173 CA GLY 72 63.583 47.585 -16.715 1.00 1.00 ATOM 174 CA ILE 73 67.001 48.771 -17.940 1.00 1.00 ATOM 175 CA GLY 74 70.720 48.697 -17.030 1.00 1.00 ATOM 176 CA ARG 75 70.906 52.385 -16.200 1.00 1.00 ATOM 177 CA ARG 76 67.916 52.096 -13.841 1.00 1.00 ATOM 178 CA ALA 77 69.695 49.186 -12.210 1.00 1.00 ATOM 179 CA ILE 78 72.661 51.475 -11.501 1.00 1.00 ATOM 180 CA ALA 79 70.550 54.290 -10.064 1.00 1.00 ATOM 181 CA ALA 80 68.801 51.798 -7.754 1.00 1.00 ATOM 182 CA PHE 81 72.111 50.331 -6.466 1.00 1.00 ATOM 183 CA GLU 82 73.433 53.848 -5.998 1.00 1.00 ATOM 184 CA ALA 83 70.286 54.712 -4.006 1.00 1.00 ATOM 185 CA MET 84 70.728 51.676 -1.767 1.00 1.00 ATOM 186 CA GLY 85 69.198 48.558 -3.306 1.00 1.00 ATOM 187 CA VAL 86 71.189 45.525 -2.132 1.00 1.00 ATOM 188 CA LYS 87 70.784 43.682 -5.444 1.00 1.00 ATOM 189 CA VAL 88 68.746 44.430 -8.589 1.00 1.00 ATOM 190 CA ILE 89 67.209 42.087 -11.158 1.00 1.00 ATOM 191 CA LYS 90 66.352 43.473 -14.561 1.00 1.00 ATOM 192 CA GLY 91 62.929 41.868 -15.064 1.00 1.00 ATOM 193 CA ALA 92 62.858 42.581 -18.810 1.00 1.00 ATOM 194 CA SER 93 66.092 40.628 -19.383 1.00 1.00 ATOM 195 CA GLY 94 66.509 38.168 -16.577 1.00 1.00 ATOM 196 CA THR 95 64.492 35.348 -15.133 1.00 1.00 ATOM 197 CA VAL 96 63.144 37.003 -12.025 1.00 1.00 ATOM 198 CA GLU 97 62.114 33.865 -10.134 1.00 1.00 ATOM 199 CA GLU 98 65.326 31.933 -10.733 1.00 1.00 ATOM 200 CA VAL 99 67.548 34.975 -9.891 1.00 1.00 ATOM 201 CA VAL 100 65.505 35.610 -6.763 1.00 1.00 ATOM 202 CA ASN 101 65.962 32.007 -5.602 1.00 1.00 ATOM 203 CA GLN 102 69.688 32.238 -6.385 1.00 1.00 ATOM 204 CA TYR 103 70.099 35.572 -4.490 1.00 1.00 ATOM 205 CA LEU 104 68.281 34.206 -1.420 1.00 1.00 ATOM 206 CA SER 105 70.098 30.895 -1.167 1.00 1.00 ATOM 207 CA GLY 106 66.871 29.223 -2.167 1.00 1.00 ATOM 208 CA GLN 107 65.006 30.607 0.839 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:24:29 2002 Date: Thu, 22 Aug 2002 12:24:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 Thu Aug 22 11:56:42 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_701607_31207 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS189_3 Current information on models submitted in prediction T0188TS189 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1K1E_A # Loading PARENT structure: 1k1e (chain: A) # Number of residues in PARENT structure: 177 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 6 # IMPORTANT NOTE! Not complete main chain atoms for residue V 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue E 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue R 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue D 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 84 # Total number of atoms in model: 84 # Number of atoms with 1.0 occupancy: 84 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 84 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1K1E_A ATOM 8 CA MET 1 -22.495 33.200 101.333 1.00 1.00 ATOM 9 CA ILE 2 -23.701 33.161 97.748 1.00 1.00 ATOM 10 CA ILE 3 -20.354 32.568 96.025 1.00 1.00 ATOM 11 CA ALA 4 -17.307 30.453 96.765 1.00 1.00 ATOM 12 CA ILE 5 -14.056 31.103 94.901 1.00 1.00 ATOM 13 CA PRO 6 -11.439 28.382 95.213 1.00 1.00 ATOM 14 CA VAL 7 -7.717 28.372 94.533 1.00 1.00 ATOM 15 CA SER 8 -6.599 25.188 92.776 1.00 1.00 ATOM 16 CA GLU 9 -3.147 23.871 93.672 1.00 1.00 ATOM 17 CA ASN 10 -2.867 23.021 97.316 1.00 1.00 ATOM 18 CA ARG 11 -6.608 23.382 97.847 1.00 1.00 ATOM 19 CA GLY 12 -8.379 21.216 95.261 1.00 1.00 ATOM 20 CA LYS 13 -5.099 19.225 94.987 1.00 1.00 ATOM 21 CA ASP 14 -2.545 18.224 97.626 1.00 1.00 ATOM 22 CA SER 15 -0.119 20.692 96.029 1.00 1.00 ATOM 23 CA PRO 16 1.811 18.276 93.892 1.00 1.00 ATOM 24 CA ILE 17 2.506 19.209 90.258 1.00 1.00 ATOM 25 CA PHE 29 2.766 15.858 88.436 1.00 1.00 ATOM 26 CA VAL 30 5.235 16.478 85.684 1.00 1.00 ATOM 27 CA LYS 31 6.189 14.578 82.563 1.00 1.00 ATOM 28 CA VAL 32 8.855 15.944 80.086 1.00 1.00 ATOM 29 CA LYS 33 6.350 18.506 78.751 1.00 1.00 ATOM 30 CA ASN 34 5.005 20.079 81.985 1.00 1.00 ATOM 31 CA ASN 35 2.060 19.028 84.148 1.00 1.00 ATOM 32 CA ALA 36 0.727 15.741 82.912 1.00 1.00 ATOM 33 CA ILE 37 -1.818 14.832 85.551 1.00 1.00 ATOM 34 CA ALA 38 -3.780 16.949 87.981 1.00 1.00 ATOM 35 CA ASP 39 -5.221 15.100 90.926 1.00 1.00 ATOM 36 CA ILE 40 -8.551 16.313 92.397 1.00 1.00 ATOM 37 CA SER 41 -10.697 14.819 95.139 1.00 1.00 ATOM 38 CA VAL 42 -14.037 13.206 94.502 1.00 1.00 ATOM 39 CA VAL 52 -15.739 14.485 97.664 1.00 1.00 ATOM 40 CA HIS 53 -14.733 18.092 96.838 1.00 1.00 ATOM 41 CA GLY 54 -16.433 17.665 93.463 1.00 1.00 ATOM 42 CA ALA 55 -19.605 16.554 95.180 1.00 1.00 ATOM 43 CA VAL 56 -19.376 19.519 97.577 1.00 1.00 ATOM 44 CA PRO 57 -19.051 21.826 94.559 1.00 1.00 ATOM 45 CA ASN 58 -22.212 20.372 93.007 1.00 1.00 ATOM 46 CA PHE 59 -24.028 20.635 96.345 1.00 1.00 ATOM 47 CA VAL 60 -23.185 24.266 96.496 1.00 1.00 ATOM 48 CA LYS 61 -24.388 25.072 93.028 1.00 1.00 ATOM 49 CA GLU 62 -27.575 23.095 93.712 1.00 1.00 ATOM 50 CA LYS 63 -28.139 25.187 96.875 1.00 1.00 ATOM 51 CA GLY 64 -27.843 28.401 94.788 1.00 1.00 ATOM 52 CA ALA 65 -24.256 29.138 95.760 1.00 1.00 ATOM 53 CA GLU 66 -22.079 29.624 92.732 1.00 1.00 ATOM 54 CA LEU 67 -18.554 28.269 92.582 1.00 1.00 ATOM 55 CA VAL 68 -15.547 29.815 90.777 1.00 1.00 ATOM 56 CA ILE 69 -11.960 28.594 90.273 1.00 1.00 ATOM 57 CA VAL 70 -8.988 30.969 90.423 1.00 1.00 ATOM 58 CA ARG 71 -5.535 29.668 89.488 1.00 1.00 ATOM 59 CA GLY 72 -2.291 31.338 88.475 1.00 1.00 ATOM 60 CA ILE 73 -1.914 28.499 85.954 1.00 1.00 ATOM 61 CA GLY 74 -4.048 27.505 82.959 1.00 1.00 ATOM 62 CA ARG 75 -4.100 24.008 81.480 1.00 1.00 ATOM 63 CA ARG 76 -6.422 21.919 79.407 1.00 1.00 ATOM 65 CA ALA 77 -7.744 22.049 84.699 1.00 1.00 ATOM 66 CA ILE 78 -10.276 23.086 82.058 1.00 1.00 ATOM 67 CA ALA 79 -11.491 19.513 81.690 1.00 1.00 ATOM 68 CA ALA 80 -12.022 19.273 85.458 1.00 1.00 ATOM 69 CA PHE 81 -13.868 22.609 85.458 1.00 1.00 ATOM 70 CA GLU 82 -16.111 21.415 82.569 1.00 1.00 ATOM 71 CA ALA 83 -16.859 18.073 84.242 1.00 1.00 ATOM 72 CA MET 84 -17.917 19.963 87.376 1.00 1.00 ATOM 73 CA GLY 85 -20.229 22.316 85.491 1.00 1.00 ATOM 74 CA VAL 86 -18.269 25.329 86.736 1.00 1.00 ATOM 75 CA LYS 87 -18.737 28.270 84.364 1.00 1.00 ATOM 76 CA VAL 88 -16.874 30.999 86.281 1.00 1.00 ATOM 77 CA ILE 89 -13.083 30.866 86.407 1.00 1.00 ATOM 78 CA LYS 90 -10.009 33.013 86.020 1.00 1.00 ATOM 79 CA GLY 91 -6.958 30.985 85.006 1.00 1.00 ATOM 80 CA ALA 92 -3.395 32.052 84.377 1.00 1.00 ATOM 81 CA SER 93 -3.674 35.139 86.603 1.00 1.00 ATOM 82 CA GLY 94 -1.150 35.506 89.373 1.00 1.00 ATOM 83 CA THR 95 -2.594 38.666 90.844 1.00 1.00 ATOM 84 CA VAL 96 -5.572 37.283 92.650 1.00 1.00 ATOM 85 CA GLU 97 -7.082 40.310 94.345 1.00 1.00 ATOM 86 CA GLU 98 -8.502 41.841 91.185 1.00 1.00 ATOM 87 CA VAL 99 -9.466 38.349 89.888 1.00 1.00 ATOM 88 CA VAL 100 -11.661 38.122 92.976 1.00 1.00 ATOM 89 CA ASN 101 -13.631 41.223 92.197 1.00 1.00 ATOM 90 CA GLN 102 -13.954 40.277 88.544 1.00 1.00 ATOM 91 CA TYR 103 -15.373 36.881 89.473 1.00 1.00 ATOM 92 CA LEU 104 -17.721 38.454 91.987 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:31:12 2002 Date: Thu, 22 Aug 2002 12:31:07 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 12:02:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_160892_31225 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS189_4 Current information on models submitted in prediction T0188TS189 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_4 PIN_160892_31225 5035-2079-5263 08/22/02 12:02:36 casp5@bialko.llnl.gov T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 casp5@bialko.llnl.gov T0188TS189_4 PIN_160892_31225 5035-2079-5263 08/22/02 12:02:36 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1J8D_A # Loading PARENT structure: 1j8d (chain: A) # Number of residues in PARENT structure: 173 # 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 6 # IMPORTANT NOTE! Not complete main chain atoms for residue V 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue E 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue R 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue D 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 82 # Total number of atoms in model: 82 # Number of atoms with 1.0 occupancy: 82 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 82 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1J8D_A ATOM 8 CA MET 1 24.696 51.865 19.275 1.00 1.00 ATOM 9 CA ILE 2 28.351 51.576 18.398 1.00 1.00 ATOM 10 CA ILE 3 29.616 51.124 21.917 1.00 1.00 ATOM 11 CA ALA 4 28.664 49.051 24.927 1.00 1.00 ATOM 12 CA ILE 5 29.926 49.597 28.440 1.00 1.00 ATOM 13 CA PRO 6 28.990 46.969 31.013 1.00 1.00 ATOM 14 CA VAL 7 29.435 46.834 34.798 1.00 1.00 ATOM 15 CA SER 8 30.833 43.546 36.053 1.00 1.00 ATOM 16 CA GLU 9 29.767 42.359 39.470 1.00 1.00 ATOM 17 CA ASN 10 26.073 42.118 39.126 1.00 1.00 ATOM 18 CA ARG 11 25.976 42.072 35.322 1.00 1.00 ATOM 19 CA GLY 12 28.547 39.667 33.974 1.00 1.00 ATOM 20 CA LYS 13 28.222 37.813 37.288 1.00 1.00 ATOM 21 CA ASP 14 25.363 37.220 39.706 1.00 1.00 ATOM 22 CA SER 15 26.861 39.790 42.086 1.00 1.00 ATOM 23 CA PRO 16 28.395 37.023 44.091 1.00 1.00 ATOM 24 CA ILE 17 31.901 37.657 45.339 1.00 1.00 ATOM 25 CA PHE 29 33.677 34.379 45.939 1.00 1.00 ATOM 26 CA VAL 30 36.034 34.779 48.842 1.00 1.00 ATOM 27 CA LYS 31 38.801 32.541 50.116 1.00 1.00 ATOM 28 CA VAL 32 40.904 33.640 53.111 1.00 1.00 ATOM 29 CA LYS 33 42.512 36.263 50.846 1.00 1.00 ATOM 30 CA ASN 34 39.653 38.179 49.193 1.00 1.00 ATOM 31 CA ASN 35 38.132 37.431 45.767 1.00 1.00 ATOM 32 CA ALA 36 39.255 33.941 44.832 1.00 1.00 ATOM 33 CA ILE 37 36.863 33.199 41.955 1.00 1.00 ATOM 34 CA ALA 38 34.765 35.265 39.537 1.00 1.00 ATOM 35 CA ASP 39 32.111 33.430 37.599 1.00 1.00 ATOM 36 CA ILE 40 31.335 34.583 34.107 1.00 1.00 ATOM 37 CA SER 41 28.761 33.165 31.740 1.00 1.00 ATOM 38 CA VAL 42 29.788 31.596 28.388 1.00 1.00 ATOM 39 CA VAL 52 26.835 32.952 26.471 1.00 1.00 ATOM 40 CA HIS 53 27.740 36.445 27.674 1.00 1.00 ATOM 41 CA GLY 54 31.241 35.844 26.278 1.00 1.00 ATOM 42 CA ALA 55 29.914 34.890 22.852 1.00 1.00 ATOM 43 CA VAL 56 27.782 37.981 23.114 1.00 1.00 ATOM 44 CA PRO 57 30.734 40.261 23.639 1.00 1.00 ATOM 45 CA ASN 58 32.594 38.639 20.733 1.00 1.00 ATOM 47 CA VAL 60 29.143 42.578 19.330 1.00 1.00 ATOM 49 CA GLU 62 32.607 41.297 15.525 1.00 1.00 ATOM 50 CA LYS 63 29.681 43.455 14.344 1.00 1.00 ATOM 51 CA GLY 64 31.711 46.671 14.762 1.00 1.00 ATOM 52 CA ALA 65 30.261 47.472 18.168 1.00 1.00 ATOM 53 CA GLU 66 32.995 48.086 20.729 1.00 1.00 ATOM 54 CA LEU 67 32.596 46.724 24.249 1.00 1.00 ATOM 55 CA VAL 68 34.108 48.264 27.336 1.00 1.00 ATOM 56 CA ILE 69 33.971 47.143 30.940 1.00 1.00 ATOM 57 CA VAL 70 33.464 49.374 33.926 1.00 1.00 ATOM 58 CA ARG 71 33.877 48.051 37.459 1.00 1.00 ATOM 59 CA GLY 72 34.656 49.554 40.858 1.00 1.00 ATOM 60 CA ILE 73 36.543 46.387 41.671 1.00 1.00 ATOM 61 CA GLY 74 39.886 45.723 40.041 1.00 1.00 ATOM 62 CA ARG 75 41.171 42.165 40.291 1.00 1.00 ATOM 63 CA ARG 76 43.540 40.056 38.225 1.00 1.00 ATOM 64 CA ALA 77 40.676 37.615 37.803 1.00 1.00 ATOM 65 CA ILE 78 38.580 40.182 35.991 1.00 1.00 ATOM 67 CA ALA 79 42.139 37.782 32.911 1.00 1.00 ATOM 68 CA ALA 80 38.533 37.551 31.651 1.00 1.00 ATOM 69 CA PHE 81 38.844 40.917 29.941 1.00 1.00 ATOM 70 CA GLU 82 41.887 39.585 28.119 1.00 1.00 ATOM 71 CA ALA 83 40.297 36.297 27.018 1.00 1.00 ATOM 72 CA MET 84 37.456 38.305 25.598 1.00 1.00 ATOM 73 CA GLY 85 39.761 40.722 23.866 1.00 1.00 ATOM 74 CA VAL 86 38.066 43.708 25.426 1.00 1.00 ATOM 75 CA LYS 87 40.246 46.754 24.748 1.00 1.00 ATOM 76 CA VAL 88 38.652 49.620 26.711 1.00 1.00 ATOM 77 CA ILE 89 37.987 49.321 30.425 1.00 1.00 ATOM 78 CA LYS 90 38.200 51.178 33.719 1.00 1.00 ATOM 79 CA GLY 91 38.688 49.262 36.893 1.00 1.00 ATOM 80 CA ALA 92 38.682 50.121 40.587 1.00 1.00 ATOM 81 CA SER 93 36.572 53.243 40.200 1.00 1.00 ATOM 82 CA GLY 94 33.161 53.596 41.846 1.00 1.00 ATOM 83 CA THR 95 32.590 57.078 40.271 1.00 1.00 ATOM 84 CA VAL 96 31.400 55.865 36.864 1.00 1.00 ATOM 85 CA GLU 97 30.344 59.141 35.228 1.00 1.00 ATOM 86 CA GLU 98 33.653 60.570 34.067 1.00 1.00 ATOM 87 CA VAL 99 34.875 57.023 33.466 1.00 1.00 ATOM 88 CA VAL 100 31.984 56.699 30.965 1.00 1.00 ATOM 89 CA ASN 101 32.911 59.852 29.125 1.00 1.00 ATOM 90 CA GLN 102 36.574 58.920 28.967 1.00 1.00 ATOM 91 CA TYR 103 35.671 55.510 27.479 1.00 1.00 ATOM 112 CA LEU 104 23.146 55.429 38.249 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:32:40 2002 Date: Thu, 22 Aug 2002 12:32:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 12:04:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_177752_31229 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS189_5 Current information on models submitted in prediction T0188TS189 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_5 PIN_177752_31229 5035-2079-5263 08/22/02 12:04:26 casp5@bialko.llnl.gov T0188TS189_4 PIN_160892_31225 5035-2079-5263 08/22/02 12:02:36 casp5@bialko.llnl.gov T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS189_1 PIN_153635_31222 5035-2079-5263 08/22/02 12:01:38 casp5@bialko.llnl.gov T0188TS189_2 PIN_151616_31223 5035-2079-5263 08/22/02 12:01:58 casp5@bialko.llnl.gov T0188TS189_3 PIN_701607_31207 5035-2079-5263 08/22/02 11:56:42 casp5@bialko.llnl.gov T0188TS189_4 PIN_160892_31225 5035-2079-5263 08/22/02 12:02:36 casp5@bialko.llnl.gov T0188TS189_5 PIN_177752_31229 5035-2079-5263 08/22/02 12:04:26 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1HY3_A # Loading PARENT structure: 1hy3 (chain: A) # Number of residues in PARENT structure: 287 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 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 Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1HY3_A ATOM 113 CA VAL 56 11.744 -4.579 14.866 1.00 1.00 ATOM 114 CA PRO 57 12.247 -2.992 11.404 1.00 1.00 ATOM 115 CA ASN 58 14.943 -4.872 9.451 1.00 1.00 ATOM 116 CA PHE 59 16.826 -1.616 8.878 1.00 1.00 ATOM 117 CA VAL 60 17.860 -1.394 12.547 1.00 1.00 ATOM 118 CA LYS 61 19.473 -4.845 12.369 1.00 1.00 ATOM 119 CA GLU 62 21.014 -4.198 8.953 1.00 1.00 ATOM 120 CA LYS 63 22.653 -1.004 10.153 1.00 1.00 ATOM 121 CA GLY 64 23.622 -2.720 13.417 1.00 1.00 ATOM 122 CA ALA 65 22.137 0.050 15.581 1.00 1.00 ATOM 123 CA GLU 66 22.818 -0.029 19.326 1.00 1.00 ATOM 124 CA LEU 67 19.784 -1.187 21.313 1.00 1.00 ATOM 125 CA VAL 68 18.985 -0.877 25.010 1.00 1.00 ATOM 126 CA ILE 69 16.389 -3.324 26.290 1.00 1.00 ATOM 127 CA VAL 70 14.715 -2.771 29.645 1.00 1.00 ATOM 128 CA ARG 71 13.059 -5.656 31.472 1.00 1.00 ATOM 129 CA GLY 72 10.838 -5.677 34.613 1.00 1.00 ATOM 130 CA ILE 73 9.373 -8.575 36.626 1.00 1.00 ATOM 131 CA GLY 74 6.144 -9.900 35.081 1.00 1.00 ATOM 132 CA ARG 75 3.860 -9.412 38.069 1.00 1.00 ATOM 133 CA ARG 76 4.653 -5.712 38.504 1.00 1.00 ATOM 134 CA ALA 77 4.352 -5.273 34.739 1.00 1.00 ATOM 135 CA ILE 78 0.899 -6.868 34.810 1.00 1.00 ATOM 136 CA ALA 79 -0.235 -4.453 37.526 1.00 1.00 ATOM 137 CA ALA 80 1.060 -1.401 35.672 1.00 1.00 ATOM 138 CA PHE 81 -0.293 -2.698 32.338 1.00 1.00 ATOM 139 CA GLU 82 -3.731 -3.165 33.941 1.00 1.00 ATOM 140 CA ALA 83 -3.798 0.513 34.905 1.00 1.00 ATOM 141 CA MET 84 -2.599 1.502 31.417 1.00 1.00 ATOM 147 CA GLY 85 -7.902 2.308 22.580 1.00 1.00 ATOM 148 CA LYS 90 -8.197 -0.488 25.124 1.00 1.00 ATOM 149 CA GLY 91 -11.132 -2.785 25.897 1.00 1.00 ATOM 150 CA ALA 92 -12.470 -2.915 29.452 1.00 1.00 ATOM 151 CA SER 93 -9.858 -5.141 31.183 1.00 1.00 ATOM 152 CA GLY 94 -12.469 -6.368 33.645 1.00 1.00 ATOM 153 CA THR 95 -11.180 -7.474 37.046 1.00 1.00 ATOM 154 CA VAL 96 -7.469 -7.802 37.758 1.00 1.00 ATOM 155 CA GLU 97 -7.692 -11.613 37.868 1.00 1.00 ATOM 156 CA GLU 98 -9.422 -11.616 34.469 1.00 1.00 ATOM 157 CA VAL 99 -6.816 -9.274 33.018 1.00 1.00 ATOM 158 CA VAL 100 -4.011 -11.412 34.444 1.00 1.00 ATOM 159 CA ASN 101 -5.391 -14.471 32.665 1.00 1.00 ATOM 160 CA GLN 102 -5.220 -12.603 29.345 1.00 1.00 ATOM 161 CA TYR 103 -1.697 -11.518 30.284 1.00 1.00 ATOM 162 CA LEU 104 -0.542 -15.082 30.972 1.00 1.00 ATOM 163 CA SER 105 -1.892 -16.064 27.550 1.00 1.00 ATOM 164 CA GLY 106 -0.151 -13.161 25.821 1.00 1.00 ATOM 165 CA GLN 107 -3.550 -11.848 24.777 1.00 1.00 ATOM 166 CA LEU 108 -2.658 -8.190 25.218 1.00 1.00 ATOM 167 CA LYS 109 -0.911 -5.605 22.989 1.00 1.00 TER END ################################ # # # END # # # ################################