From mailer@bialko.llnl.gov Sat Jun 15 15:39:18 2002 Date: Sat, 15 Jun 2002 15:39:13 -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 Sat Jun 15 15:12:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_241053_10805 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134SS007_1 Current information on models submitted in prediction T0134SS007 MODEL_INDEX PIN CODE DATE E-mail T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # 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: 251 # Number of residues with nonzero confidence: 251 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0134 AUTHOR 6269-7633-6117 METHOD CAFASP METHOD samt99 METHOD This prediction was derived from the following methods METHOD by averaging the corresponding probabilities: METHOD Method 0: METHOD TARGET seed-seqs-1067.a2m(1) METHOD Using neural net overrep-2500-IDaa13-5-9-7-10-5-9-11-ehl2-seeded2-stride-trained.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 9 METHOD 7 10 METHOD 5 9 METHOD 11 3 (1 EHL2 ) METHOD The input amino acid frequencies were determined from METHOD alignment /var/tmp/hmm-target99-work-32267//target-align-32267.a2m METHOD with weighted counts, using EntropyWeight(1.4 bits/column, 10) METHOD The weighting was determined by the posterior distribution METHOD after regularizing with /projects/compbio/lib/recode3.20comp. METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 3.76794 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-1067.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc67.6253/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Tue Jun 11 12:39:34 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-32267//target-align-32267.a2m METHOD METHOD guide seq name: seed-seqs-1067.a2m(1), 251 bases, 99E332E9 checksum. METHOD ###end 0 MODEL 1 G C 0.746 E C 0.684 P C 0.66 V C 0.645 Q C 0.625 N C 0.654 G C 0.692 A C 0.726 P C 0.648 E C 0.579 E C 0.545 E C 0.589 Q C 0.619 L C 0.65 P C 0.707 P C 0.657 E C 0.589 S C 0.498 S H 0.442 Y H 0.465 S H 0.465 L H 0.498 L H 0.461 A H 0.397 E C 0.482 N C 0.605 S C 0.59 Y E 0.521 V E 0.695 K E 0.722 M E 0.725 T E 0.689 C E 0.68 D E 0.613 I E 0.528 R C 0.455 G C 0.547 S C 0.55 L C 0.516 Q C 0.543 E C 0.564 D C 0.64 S C 0.625 Q C 0.493 V E 0.642 T E 0.714 V E 0.721 A E 0.711 I E 0.706 V E 0.639 L E 0.514 E C 0.412 N C 0.526 R C 0.524 S C 0.526 S H 0.511 S H 0.514 I H 0.524 L H 0.47 K H 0.493 G H 0.48 M H 0.437 E H 0.432 L H 0.463 S H 0.423 V H 0.5 L H 0.595 D H 0.636 S H 0.653 L H 0.616 N H 0.517 A H 0.538 R H 0.494 M H 0.475 A C 0.452 R C 0.606 P C 0.707 Q C 0.689 G C 0.709 S C 0.683 S C 0.603 V C 0.611 H C 0.63 D C 0.683 G C 0.629 V C 0.472 P C 0.433 V C 0.436 P C 0.495 F C 0.511 Q C 0.525 L C 0.576 P C 0.727 P C 0.716 G C 0.703 V C 0.657 S C 0.659 N C 0.578 E C 0.532 A C 0.43 Q E 0.46 Y E 0.567 V E 0.637 F E 0.662 T E 0.664 I E 0.65 Q E 0.575 S E 0.495 I E 0.425 V H 0.443 M H 0.506 A H 0.565 Q H 0.569 K H 0.551 L H 0.489 K C 0.463 G C 0.515 T E 0.452 L E 0.555 S E 0.614 F E 0.663 I E 0.66 A E 0.551 K C 0.427 N C 0.621 D C 0.679 E C 0.681 G C 0.689 A C 0.697 T C 0.659 H C 0.541 E C 0.51 K C 0.41 L E 0.398 D E 0.411 F E 0.466 R E 0.454 L E 0.424 H C 0.458 F C 0.424 S C 0.462 C C 0.418 S E 0.469 S E 0.562 Y E 0.647 L E 0.653 I E 0.538 T C 0.529 T C 0.656 P C 0.632 C C 0.582 Y C 0.558 S C 0.488 D H 0.482 A H 0.556 F H 0.696 A H 0.695 K H 0.679 L H 0.645 L H 0.563 E H 0.417 S C 0.549 G C 0.675 D C 0.645 L C 0.506 S C 0.469 M C 0.459 S C 0.526 S C 0.444 I E 0.45 K E 0.481 V E 0.456 D C 0.456 G C 0.45 I E 0.4 R E 0.446 M E 0.491 S E 0.439 F H 0.641 Q H 0.684 N H 0.699 L H 0.704 L H 0.708 A H 0.704 K H 0.702 I H 0.677 C H 0.661 F H 0.632 H H 0.56 H H 0.392 H C 0.394 F E 0.424 S E 0.538 V E 0.595 V E 0.578 E E 0.518 R E 0.441 V C 0.411 D C 0.448 S H 0.428 C H 0.484 A H 0.502 S H 0.476 M H 0.439 Y C 0.352 S C 0.463 R C 0.454 S E 0.401 I C 0.461 Q C 0.592 G C 0.607 H C 0.556 H E 0.479 V E 0.678 C E 0.717 L E 0.744 L E 0.735 V E 0.679 K E 0.539 K C 0.482 G C 0.625 E C 0.677 N C 0.632 S C 0.503 V E 0.526 S E 0.559 V E 0.499 D C 0.569 G C 0.605 K C 0.628 C C 0.625 S C 0.686 D C 0.634 S H 0.625 T H 0.669 L H 0.699 L H 0.726 S H 0.734 N H 0.739 L H 0.742 L H 0.803 E H 0.824 E H 0.813 M H 0.802 K H 0.771 A H 0.747 T H 0.67 L H 0.614 A H 0.486 K C 0.451 C C 0.635 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:02:14 2002 Date: Mon, 22 Jul 2002 09:02:05 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt99.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 08:34:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_463680_13041 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS007_1 Current information on models submitted in prediction T0134TS007 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 casp5@bialko.llnl.gov T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1QTS_A # Loading PARENT structure: 1qts (chain: A) # Number of residues in PARENT structure: 247 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 862 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 863 # IMPORTANT NOTE! Not complete main chain atoms for residue P 864 # IMPORTANT NOTE! Not complete main chain atoms for residue V 865 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 866 # IMPORTANT NOTE! Not complete main chain atoms for residue N 867 # IMPORTANT NOTE! Not complete main chain atoms for residue G 868 # IMPORTANT NOTE! Not complete main chain atoms for residue A 869 # IMPORTANT NOTE! Not complete main chain atoms for residue P 870 # IMPORTANT NOTE! Not complete main chain atoms for residue E 871 # IMPORTANT NOTE! Not complete main chain atoms for residue E 872 # IMPORTANT NOTE! Not complete main chain atoms for residue E 873 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 874 # IMPORTANT NOTE! Not complete main chain atoms for residue L 875 # IMPORTANT NOTE! Not complete main chain atoms for residue P 876 # IMPORTANT NOTE! Not complete main chain atoms for residue P 877 # IMPORTANT NOTE! Not complete main chain atoms for residue E 878 # IMPORTANT NOTE! Not complete main chain atoms for residue S 879 # IMPORTANT NOTE! Not complete main chain atoms for residue S 880 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 881 # IMPORTANT NOTE! Not complete main chain atoms for residue S 882 # IMPORTANT NOTE! Not complete main chain atoms for residue L 883 # IMPORTANT NOTE! Not complete main chain atoms for residue L 884 # IMPORTANT NOTE! Not complete main chain atoms for residue A 885 # IMPORTANT NOTE! Not complete main chain atoms for residue E 886 # IMPORTANT NOTE! Not complete main chain atoms for residue N 887 # IMPORTANT NOTE! Not complete main chain atoms for residue S 888 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 889 # IMPORTANT NOTE! Not complete main chain atoms for residue V 890 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # IMPORTANT NOTE! Not complete main chain atoms for residue M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue S 899 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 905 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue S 917 # IMPORTANT NOTE! Not complete main chain atoms for residue S 918 # IMPORTANT NOTE! Not complete main chain atoms for residue I 919 # IMPORTANT NOTE! Not complete main chain atoms for residue L 920 # IMPORTANT NOTE! Not complete main chain atoms for residue K 921 # IMPORTANT NOTE! Not complete main chain atoms for residue G 922 # IMPORTANT NOTE! Not complete main chain atoms for residue M 923 # IMPORTANT NOTE! Not complete main chain atoms for residue E 924 # IMPORTANT NOTE! Not complete main chain atoms for residue L 925 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # IMPORTANT NOTE! Not complete main chain atoms for residue V 927 # IMPORTANT NOTE! Not complete main chain atoms for residue L 928 # IMPORTANT NOTE! Not complete main chain atoms for residue D 929 # IMPORTANT NOTE! Not complete main chain atoms for residue S 930 # IMPORTANT NOTE! Not complete main chain atoms for residue L 931 # IMPORTANT NOTE! Not complete main chain atoms for residue N 932 # IMPORTANT NOTE! Not complete main chain atoms for residue A 933 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue P 938 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 939 # IMPORTANT NOTE! Not complete main chain atoms for residue G 940 # IMPORTANT NOTE! Not complete main chain atoms for residue S 941 # IMPORTANT NOTE! Not complete main chain atoms for residue S 942 # IMPORTANT NOTE! Not complete main chain atoms for residue V 943 # IMPORTANT NOTE! Not complete main chain atoms for residue H 944 # IMPORTANT NOTE! Not complete main chain atoms for residue D 945 # IMPORTANT NOTE! Not complete main chain atoms for residue G 946 # IMPORTANT NOTE! Not complete main chain atoms for residue V 947 # IMPORTANT NOTE! Not complete main chain atoms for residue P 948 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 952 # IMPORTANT NOTE! Not complete main chain atoms for residue L 953 # IMPORTANT NOTE! Not complete main chain atoms for residue P 954 # IMPORTANT NOTE! Not complete main chain atoms for residue P 955 # IMPORTANT NOTE! Not complete main chain atoms for residue G 956 # IMPORTANT NOTE! Not complete main chain atoms for residue V 957 # IMPORTANT NOTE! Not complete main chain atoms for residue S 958 # IMPORTANT NOTE! Not complete main chain atoms for residue N 959 # IMPORTANT NOTE! Not complete main chain atoms for residue E 960 # IMPORTANT NOTE! Not complete main chain atoms for residue A 961 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 962 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 963 # IMPORTANT NOTE! Not complete main chain atoms for residue V 964 # IMPORTANT NOTE! Not complete main chain atoms for residue F 965 # IMPORTANT NOTE! Not complete main chain atoms for residue T 966 # IMPORTANT NOTE! Not complete main chain atoms for residue I 967 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 968 # IMPORTANT NOTE! Not complete main chain atoms for residue S 969 # IMPORTANT NOTE! Not complete main chain atoms for residue I 970 # IMPORTANT NOTE! Not complete main chain atoms for residue V 971 # IMPORTANT NOTE! Not complete main chain atoms for residue M 972 # IMPORTANT NOTE! Not complete main chain atoms for residue A 973 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 974 # IMPORTANT NOTE! Not complete main chain atoms for residue K 975 # IMPORTANT NOTE! Not complete main chain atoms for residue L 976 # IMPORTANT NOTE! Not complete main chain atoms for residue K 977 # IMPORTANT NOTE! Not complete main chain atoms for residue G 978 # IMPORTANT NOTE! Not complete main chain atoms for residue T 979 # IMPORTANT NOTE! Not complete main chain atoms for residue L 980 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 113 # Total number of atoms in model: 113 # Number of atoms with 1.0 occupancy: 113 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 113 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1QTS_A ATOM 692 CA GLY 862 -3.348 -6.842 -7.165 1.00 1.00 ATOM 693 CA GLU 863 -6.754 -8.418 -6.515 1.00 1.00 ATOM 694 CA PRO 864 -9.451 -7.465 -9.026 1.00 1.00 ATOM 695 CA VAL 865 -12.664 -5.634 -8.153 1.00 1.00 ATOM 696 CA GLN 866 -13.541 -2.564 -6.117 1.00 1.00 ATOM 697 CA ASN 867 -11.193 -2.061 -3.176 1.00 1.00 ATOM 698 CA GLY 868 -13.545 -0.355 -0.726 1.00 1.00 ATOM 699 CA ALA 869 -14.229 -2.262 2.498 1.00 1.00 ATOM 700 CA PRO 870 -11.348 -4.530 1.464 1.00 1.00 ATOM 701 CA GLU 871 -8.386 -5.699 3.545 1.00 1.00 ATOM 702 CA GLU 872 -6.110 -3.075 1.989 1.00 1.00 ATOM 703 CA GLU 873 -8.141 0.125 1.685 1.00 1.00 ATOM 704 CA GLN 874 -5.481 2.264 3.370 1.00 1.00 ATOM 705 CA LEU 875 -2.396 0.051 3.091 1.00 1.00 ATOM 708 CA PRO 876 1.593 3.594 5.385 1.00 1.00 ATOM 709 CA PRO 877 4.529 2.933 3.050 1.00 1.00 ATOM 710 CA GLU 878 6.170 6.334 3.454 1.00 1.00 ATOM 711 CA SER 879 4.781 7.134 6.907 1.00 1.00 ATOM 712 CA SER 880 4.392 5.067 10.070 1.00 1.00 ATOM 713 CA TYR 881 1.550 6.725 11.975 1.00 1.00 ATOM 714 CA SER 882 -2.176 6.998 11.322 1.00 1.00 ATOM 715 CA LEU 883 -5.518 5.214 11.059 1.00 1.00 ATOM 716 CA LEU 884 -5.310 1.937 9.148 1.00 1.00 ATOM 717 CA ALA 885 -8.951 0.827 9.357 1.00 1.00 ATOM 718 CA GLU 886 -12.254 2.120 10.685 1.00 1.00 ATOM 719 CA ASN 887 -15.711 0.563 10.582 1.00 1.00 ATOM 720 CA SER 888 -18.716 1.586 12.712 1.00 1.00 ATOM 721 CA TYR 889 -17.521 -0.318 15.782 1.00 1.00 ATOM 722 CA VAL 890 -13.719 -0.270 15.685 1.00 1.00 ATOM 723 CA LYS 891 -10.867 2.026 14.723 1.00 1.00 ATOM 724 CA MET 892 -7.379 0.561 14.228 1.00 1.00 ATOM 725 CA THR 893 -4.477 3.013 14.464 1.00 1.00 ATOM 726 CA CYS 894 -0.743 2.425 14.080 1.00 1.00 ATOM 727 CA ASP 895 2.528 3.873 15.323 1.00 1.00 ATOM 728 CA ILE 896 5.772 2.209 14.223 1.00 1.00 ATOM 729 CA ARG 897 9.517 2.724 14.542 1.00 1.00 ATOM 730 CA GLY 898 12.301 0.817 12.761 1.00 1.00 ATOM 731 CA SER 899 16.042 0.373 13.224 1.00 1.00 ATOM 732 CA ASP 903 18.442 -1.975 11.448 1.00 1.00 ATOM 733 CA SER 904 16.468 -5.100 10.487 1.00 1.00 ATOM 734 CA GLN 905 14.054 -4.585 13.371 1.00 1.00 ATOM 735 CA VAL 906 10.874 -2.700 14.164 1.00 1.00 ATOM 736 CA THR 907 8.248 -2.099 16.806 1.00 1.00 ATOM 737 CA VAL 908 4.645 -1.498 15.741 1.00 1.00 ATOM 738 CA ALA 909 2.015 -0.302 18.192 1.00 1.00 ATOM 739 CA ILE 910 -1.506 -1.278 17.119 1.00 1.00 ATOM 740 CA VAL 911 -4.318 0.684 18.748 1.00 1.00 ATOM 741 CA LEU 912 -7.829 -0.762 18.933 1.00 1.00 ATOM 742 CA GLU 913 -10.482 1.857 19.645 1.00 1.00 ATOM 743 CA ASN 914 -14.033 0.918 20.622 1.00 1.00 ATOM 744 CA ARG 915 -16.265 3.531 19.018 1.00 1.00 ATOM 745 CA SER 916 -19.414 2.384 20.816 1.00 1.00 ATOM 746 CA SER 917 -20.813 2.730 24.309 1.00 1.00 ATOM 747 CA SER 918 -20.771 -1.052 24.772 1.00 1.00 ATOM 748 CA ILE 919 -17.851 -3.262 25.877 1.00 1.00 ATOM 749 CA LEU 920 -16.345 -5.734 23.398 1.00 1.00 ATOM 750 CA LYS 921 -15.739 -9.302 24.632 1.00 1.00 ATOM 751 CA GLY 922 -13.271 -12.009 23.627 1.00 1.00 ATOM 752 CA MET 923 -11.327 -9.370 21.707 1.00 1.00 ATOM 753 CA GLU 924 -8.658 -11.391 19.903 1.00 1.00 ATOM 754 CA LEU 925 -6.242 -9.922 17.347 1.00 1.00 ATOM 755 CA SER 926 -3.931 -12.419 15.585 1.00 1.00 ATOM 756 CA VAL 927 -1.096 -11.823 13.125 1.00 1.00 ATOM 757 CA LEU 928 -0.836 -14.223 10.162 1.00 1.00 ATOM 758 CA ASP 929 2.098 -14.360 7.732 1.00 1.00 ATOM 763 CA SER 930 6.760 -16.351 7.859 1.00 1.00 ATOM 764 CA LEU 931 10.333 -17.375 7.031 1.00 1.00 ATOM 765 CA ASN 932 11.302 -13.881 5.858 1.00 1.00 ATOM 766 CA ALA 933 9.593 -11.843 8.589 1.00 1.00 ATOM 767 CA ARG 937 9.408 -12.788 12.271 1.00 1.00 ATOM 768 CA PRO 938 6.640 -11.157 14.298 1.00 1.00 ATOM 769 CA GLN 939 6.330 -11.522 18.076 1.00 1.00 ATOM 770 CA GLY 940 3.575 -10.099 20.248 1.00 1.00 ATOM 771 CA SER 941 1.765 -10.579 23.559 1.00 1.00 ATOM 772 CA SER 942 -1.982 -11.155 23.892 1.00 1.00 ATOM 773 CA VAL 943 -4.275 -8.178 24.511 1.00 1.00 ATOM 774 CA HIS 944 -6.912 -8.164 27.280 1.00 1.00 ATOM 775 CA ASP 945 -10.032 -9.528 25.569 1.00 1.00 ATOM 782 CA GLY 946 -8.523 1.976 23.407 1.00 1.00 ATOM 783 CA VAL 947 -6.355 -1.108 23.866 1.00 1.00 ATOM 784 CA PRO 948 -2.807 -1.466 22.547 1.00 1.00 ATOM 785 CA VAL 949 -0.807 -4.364 21.157 1.00 1.00 ATOM 786 CA PRO 950 2.971 -4.160 20.592 1.00 1.00 ATOM 787 CA PHE 951 4.416 -6.131 17.689 1.00 1.00 ATOM 788 CA GLN 952 8.175 -6.756 17.691 1.00 1.00 ATOM 789 CA LEU 953 9.358 -7.178 14.107 1.00 1.00 ATOM 790 CA PRO 954 12.466 -8.892 12.756 1.00 1.00 ATOM 791 CA PRO 955 13.232 -8.961 9.035 1.00 1.00 ATOM 792 CA GLY 956 15.036 -12.217 8.151 1.00 1.00 ATOM 793 CA VAL 957 15.316 -11.651 4.395 1.00 1.00 ATOM 794 CA SER 958 13.650 -9.491 1.739 1.00 1.00 ATOM 795 CA ASN 959 9.927 -10.033 1.258 1.00 1.00 ATOM 796 CA GLU 960 6.958 -8.835 -0.788 1.00 1.00 ATOM 797 CA ALA 961 3.823 -10.062 0.963 1.00 1.00 ATOM 798 CA GLN 962 2.272 -8.358 3.978 1.00 1.00 ATOM 799 CA TYR 963 1.106 -9.861 7.260 1.00 1.00 ATOM 800 CA VAL 964 -2.640 -10.087 7.872 1.00 1.00 ATOM 801 CA PHE 965 -4.133 -8.806 11.127 1.00 1.00 ATOM 802 CA THR 966 -7.272 -10.812 11.917 1.00 1.00 ATOM 803 CA ILE 967 -9.524 -9.443 14.669 1.00 1.00 ATOM 804 CA GLN 968 -12.399 -11.440 16.138 1.00 1.00 ATOM 805 CA SER 969 -14.602 -10.160 18.949 1.00 1.00 ATOM 806 CA ILE 970 -18.128 -10.257 20.352 1.00 1.00 ATOM 807 CA VAL 971 -20.325 -7.146 20.299 1.00 1.00 ATOM 810 CA MET 972 -22.738 -11.088 17.783 1.00 1.00 ATOM 811 CA ALA 973 -19.588 -12.397 16.073 1.00 1.00 ATOM 812 CA GLN 974 -17.537 -9.561 14.604 1.00 1.00 ATOM 813 CA LYS 975 -14.636 -10.451 12.276 1.00 1.00 ATOM 814 CA LEU 976 -12.201 -8.073 10.574 1.00 1.00 ATOM 815 CA LYS 977 -9.105 -8.840 8.464 1.00 1.00 ATOM 816 CA GLY 978 -6.701 -6.115 7.309 1.00 1.00 ATOM 817 CA THR 979 -3.246 -6.173 5.722 1.00 1.00 ATOM 818 CA LEU 980 -0.587 -4.740 8.052 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:03:07 2002 Date: Mon, 22 Jul 2002 09:03:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt99.pdb 5 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 08:34:37 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_460660_13042 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS007_5 Current information on models submitted in prediction T0134TS007 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1D0C_B # Loading PARENT structure: 1d0c (chain: B) # Number of residues in PARENT structure: 414 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0134 # Total number of residues in target: 251 # 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 T0134 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1D0C_B ATOM 342 CA LEU 1020 7.182 -2.724 72.067 1.00 1.00 ATOM 343 CA LEU 1021 9.406 -0.154 73.780 1.00 1.00 ATOM 344 CA GLU 1022 13.094 -1.219 73.799 1.00 1.00 ATOM 345 CA SER 1023 15.497 0.532 76.139 1.00 1.00 ATOM 346 CA GLY 1024 19.040 -0.755 76.702 1.00 1.00 ATOM 347 CA ASP 1025 18.109 -4.237 75.505 1.00 1.00 ATOM 348 CA LEU 1026 15.171 -4.427 77.889 1.00 1.00 ATOM 349 CA SER 1027 11.775 -4.844 76.272 1.00 1.00 ATOM 350 CA MET 1028 8.508 -3.322 77.454 1.00 1.00 ATOM 351 CA SER 1029 5.758 -5.277 75.636 1.00 1.00 ATOM 352 CA SER 1030 3.014 -3.105 77.176 1.00 1.00 ATOM 353 CA ILE 1031 3.828 0.593 77.027 1.00 1.00 ATOM 354 CA LYS 1032 0.939 2.564 75.495 1.00 1.00 ATOM 355 CA VAL 1033 1.704 6.093 74.375 1.00 1.00 ATOM 356 CA ASP 1034 -0.475 8.955 73.171 1.00 1.00 ATOM 357 CA GLY 1035 -0.150 12.428 71.633 1.00 1.00 ATOM 358 CA ILE 1036 -2.728 14.355 69.617 1.00 1.00 ATOM 359 CA ARG 1037 -3.966 13.980 66.042 1.00 1.00 ATOM 360 CA MET 1038 -2.670 15.309 62.819 1.00 1.00 ATOM 361 CA SER 1039 -5.883 16.079 60.971 1.00 1.00 ATOM 362 CA PHE 1040 -5.035 14.074 57.904 1.00 1.00 ATOM 363 CA GLN 1041 -4.813 10.926 59.937 1.00 1.00 ATOM 364 CA ASN 1042 -8.506 11.163 60.702 1.00 1.00 ATOM 365 CA LEU 1043 -9.823 12.957 57.631 1.00 1.00 ATOM 366 CA LEU 1044 -7.816 11.126 55.013 1.00 1.00 ATOM 367 CA ALA 1045 -6.619 7.784 56.287 1.00 1.00 ATOM 368 CA LYS 1046 -9.236 6.695 58.793 1.00 1.00 ATOM 369 CA ILE 1047 -12.292 8.133 57.044 1.00 1.00 ATOM 370 CA CYS 1048 -11.217 7.845 53.384 1.00 1.00 ATOM 371 CA PHE 1049 -8.943 4.774 53.028 1.00 1.00 ATOM 372 CA HIS 1050 -10.790 2.224 50.868 1.00 1.00 ATOM 373 CA HIS 1051 -10.323 -0.461 53.534 1.00 1.00 ATOM 374 CA HIS 1052 -11.430 1.859 56.346 1.00 1.00 ATOM 375 CA PHE 1053 -14.594 3.966 56.643 1.00 1.00 ATOM 376 CA SER 1054 -14.262 4.625 52.865 1.00 1.00 ATOM 377 CA VAL 1055 -16.567 7.712 52.855 1.00 1.00 ATOM 378 CA VAL 1056 -15.265 9.590 49.774 1.00 1.00 ATOM 379 CA GLU 1057 -18.105 8.673 47.430 1.00 1.00 ATOM 380 CA ARG 1058 -20.839 9.426 49.972 1.00 1.00 ATOM 381 CA VAL 1059 -19.428 12.919 50.562 1.00 1.00 ATOM 382 CA ASP 1060 -18.857 13.535 46.865 1.00 1.00 ATOM 383 CA SER 1061 -22.524 12.655 46.127 1.00 1.00 ATOM 384 CA CYS 1062 -23.716 15.000 48.871 1.00 1.00 ATOM 385 CA ALA 1063 -21.469 17.530 47.134 1.00 1.00 ATOM 386 CA SER 1064 -23.109 16.933 43.753 1.00 1.00 ATOM 387 CA MET 1065 -19.795 16.026 42.105 1.00 1.00 ATOM 388 CA TYR 1066 -19.324 13.954 38.948 1.00 1.00 ATOM 389 CA SER 1067 -18.348 10.583 40.341 1.00 1.00 ATOM 390 CA ARG 1068 -18.592 9.025 36.855 1.00 1.00 ATOM 391 CA SER 1069 -15.102 9.872 35.676 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:03:28 2002 Date: Mon, 22 Jul 2002 09:03:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt99.pdb 4 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 08:35:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_467162_13044 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS007_4 Current information on models submitted in prediction T0134TS007 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 casp5@bialko.llnl.gov T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1D0C_A # Loading PARENT structure: 1d0c (chain: A) # Number of residues in PARENT structure: 416 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0134 # Total number of residues in target: 251 # 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 T0134 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1D0C_A ATOM 342 CA LEU 1020 21.738 8.122 29.113 1.00 1.00 ATOM 343 CA LEU 1021 20.259 4.949 27.593 1.00 1.00 ATOM 344 CA GLU 1022 22.387 1.931 28.496 1.00 1.00 ATOM 345 CA SER 1023 22.006 -1.394 26.661 1.00 1.00 ATOM 346 CA GLY 1024 24.415 -4.322 27.064 1.00 1.00 ATOM 347 CA ASP 1025 27.218 -1.993 28.193 1.00 1.00 ATOM 348 CA LEU 1026 26.770 0.371 25.252 1.00 1.00 ATOM 349 CA SER 1027 25.957 3.981 26.111 1.00 1.00 ATOM 350 CA MET 1028 23.586 6.115 24.092 1.00 1.00 ATOM 351 CA SER 1029 24.378 9.583 25.523 1.00 1.00 ATOM 352 CA SER 1030 21.760 11.178 23.219 1.00 1.00 ATOM 353 CA ILE 1031 18.445 9.316 23.070 1.00 1.00 ATOM 354 CA LYS 1032 15.532 11.602 23.750 1.00 1.00 ATOM 355 CA VAL 1033 12.238 9.934 24.652 1.00 1.00 ATOM 356 CA ASP 1034 8.698 11.201 25.030 1.00 1.00 ATOM 357 CA GLY 1035 5.277 10.074 26.239 1.00 1.00 ATOM 358 CA ILE 1036 2.349 12.197 27.405 1.00 1.00 ATOM 359 CA ARG 1037 1.687 14.026 30.669 1.00 1.00 ATOM 360 CA MET 1038 0.143 12.935 33.882 1.00 1.00 ATOM 361 CA SER 1039 -1.773 16.025 34.957 1.00 1.00 ATOM 362 CA PHE 1040 -0.210 16.323 38.443 1.00 1.00 ATOM 363 CA GLN 1041 3.211 16.782 36.914 1.00 1.00 ATOM 364 CA ASN 1042 2.032 19.992 35.311 1.00 1.00 ATOM 365 CA LEU 1043 -0.602 21.138 37.748 1.00 1.00 ATOM 366 CA LEU 1044 1.188 20.258 40.990 1.00 1.00 ATOM 367 CA ALA 1045 4.922 19.992 40.392 1.00 1.00 ATOM 368 CA LYS 1046 5.639 22.391 37.540 1.00 1.00 ATOM 369 CA ILE 1047 3.138 25.091 38.473 1.00 1.00 ATOM 370 CA CYS 1048 3.015 24.798 42.253 1.00 1.00 ATOM 371 CA PHE 1049 6.430 23.625 43.492 1.00 1.00 ATOM 372 CA HIS 1050 7.837 26.504 45.602 1.00 1.00 ATOM 373 CA HIS 1051 11.035 26.498 43.476 1.00 1.00 ATOM 374 CA HIS 1052 9.100 26.313 40.182 1.00 1.00 ATOM 375 CA PHE 1053 6.309 28.641 38.972 1.00 1.00 ATOM 376 CA SER 1054 5.022 28.667 42.607 1.00 1.00 ATOM 377 CA VAL 1055 1.499 29.867 41.671 1.00 1.00 ATOM 378 CA VAL 1056 -0.435 28.517 44.676 1.00 1.00 ATOM 379 CA GLU 1057 -0.804 31.790 46.617 1.00 1.00 ATOM 380 CA ARG 1058 -1.794 33.744 43.531 1.00 1.00 ATOM 381 CA VAL 1059 -4.530 31.273 42.642 1.00 1.00 ATOM 382 CA ASP 1060 -5.587 31.047 46.298 1.00 1.00 ATOM 383 CA SER 1061 -5.961 34.841 46.467 1.00 1.00 ATOM 384 CA CYS 1062 -8.125 34.753 43.366 1.00 1.00 ATOM 385 CA ALA 1063 -10.302 32.116 45.007 1.00 1.00 ATOM 386 CA SER 1064 -10.605 34.483 47.968 1.00 1.00 ATOM 387 CA MET 1065 -9.162 31.919 50.409 1.00 1.00 ATOM 388 CA TYR 1066 -7.497 32.700 53.732 1.00 1.00 ATOM 389 CA SER 1067 -3.802 32.485 52.898 1.00 1.00 ATOM 390 CA ARG 1068 -2.780 33.775 56.342 1.00 1.00 ATOM 391 CA SER 1069 -3.458 30.477 58.134 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:03:39 2002 Date: Mon, 22 Jul 2002 09:03:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt99.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 08:35:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_477441_13045 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS007_3 Current information on models submitted in prediction T0134TS007 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_3 PIN_477441_13045 6269-7633-6117 07/22/02 08:35:15 casp5@bialko.llnl.gov T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 casp5@bialko.llnl.gov T0134TS007_3 PIN_477441_13045 6269-7633-6117 07/22/02 08:35:15 casp5@bialko.llnl.gov T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1CF1_A # Loading PARENT structure: 1cf1 (chain: A) # Number of residues in PARENT structure: 373 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 927 # IMPORTANT NOTE! Not complete main chain atoms for residue L 928 # IMPORTANT NOTE! Not complete main chain atoms for residue D 929 # IMPORTANT NOTE! Not complete main chain atoms for residue S 930 # IMPORTANT NOTE! Not complete main chain atoms for residue L 931 # IMPORTANT NOTE! Not complete main chain atoms for residue N 932 # IMPORTANT NOTE! Not complete main chain atoms for residue A 933 # IMPORTANT NOTE! Not complete main chain atoms for residue R 934 # IMPORTANT NOTE! Not complete main chain atoms for residue M 935 # IMPORTANT NOTE! Not complete main chain atoms for residue A 936 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue P 938 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 939 # IMPORTANT NOTE! Not complete main chain atoms for residue G 940 # IMPORTANT NOTE! Not complete main chain atoms for residue S 941 # IMPORTANT NOTE! Not complete main chain atoms for residue S 942 # IMPORTANT NOTE! Not complete main chain atoms for residue V 943 # IMPORTANT NOTE! Not complete main chain atoms for residue H 944 # IMPORTANT NOTE! Not complete main chain atoms for residue D 945 # IMPORTANT NOTE! Not complete main chain atoms for residue G 946 # IMPORTANT NOTE! Not complete main chain atoms for residue V 947 # IMPORTANT NOTE! Not complete main chain atoms for residue P 948 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 952 # IMPORTANT NOTE! Not complete main chain atoms for residue L 953 # IMPORTANT NOTE! Not complete main chain atoms for residue P 954 # IMPORTANT NOTE! Not complete main chain atoms for residue P 955 # IMPORTANT NOTE! Not complete main chain atoms for residue G 956 # IMPORTANT NOTE! Not complete main chain atoms for residue V 957 # IMPORTANT NOTE! Not complete main chain atoms for residue S 958 # IMPORTANT NOTE! Not complete main chain atoms for residue N 959 # IMPORTANT NOTE! Not complete main chain atoms for residue E 960 # IMPORTANT NOTE! Not complete main chain atoms for residue A 961 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 962 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 963 # IMPORTANT NOTE! Not complete main chain atoms for residue V 964 # IMPORTANT NOTE! Not complete main chain atoms for residue F 965 # IMPORTANT NOTE! Not complete main chain atoms for residue T 966 # IMPORTANT NOTE! Not complete main chain atoms for residue I 967 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 968 # IMPORTANT NOTE! Not complete main chain atoms for residue S 969 # IMPORTANT NOTE! Not complete main chain atoms for residue I 970 # IMPORTANT NOTE! Not complete main chain atoms for residue V 971 # IMPORTANT NOTE! Not complete main chain atoms for residue M 972 # IMPORTANT NOTE! Not complete main chain atoms for residue A 973 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 974 # IMPORTANT NOTE! Not complete main chain atoms for residue K 975 # IMPORTANT NOTE! Not complete main chain atoms for residue L 976 # IMPORTANT NOTE! Not complete main chain atoms for residue K 977 # IMPORTANT NOTE! Not complete main chain atoms for residue G 978 # IMPORTANT NOTE! Not complete main chain atoms for residue T 979 # IMPORTANT NOTE! Not complete main chain atoms for residue L 980 # IMPORTANT NOTE! Not complete main chain atoms for residue S 981 # IMPORTANT NOTE! Not complete main chain atoms for residue F 982 # IMPORTANT NOTE! Not complete main chain atoms for residue I 983 # IMPORTANT NOTE! Not complete main chain atoms for residue A 984 # IMPORTANT NOTE! Not complete main chain atoms for residue K 985 # IMPORTANT NOTE! Not complete main chain atoms for residue N 986 # IMPORTANT NOTE! Not complete main chain atoms for residue D 987 # IMPORTANT NOTE! Not complete main chain atoms for residue E 988 # IMPORTANT NOTE! Not complete main chain atoms for residue G 989 # IMPORTANT NOTE! Not complete main chain atoms for residue A 990 # IMPORTANT NOTE! Not complete main chain atoms for residue T 991 # IMPORTANT NOTE! Not complete main chain atoms for residue H 992 # IMPORTANT NOTE! Not complete main chain atoms for residue E 993 # IMPORTANT NOTE! Not complete main chain atoms for residue K 994 # IMPORTANT NOTE! Not complete main chain atoms for residue L 995 # IMPORTANT NOTE! Not complete main chain atoms for residue D 996 # IMPORTANT NOTE! Not complete main chain atoms for residue F 997 # IMPORTANT NOTE! Not complete main chain atoms for residue R 998 # IMPORTANT NOTE! Not complete main chain atoms for residue L 999 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1000 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1001 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1002 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1003 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1004 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1005 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1006 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1007 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1008 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1009 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1010 # IMPORTANT NOTE! Not complete main chain atoms for residue P 1011 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1012 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1013 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1014 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1015 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1016 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1017 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1018 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1019 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1070 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1071 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1072 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1073 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1074 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1075 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1076 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1077 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1078 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1079 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1080 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1081 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1082 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1083 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1084 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1085 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1086 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1087 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1088 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1089 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1090 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1091 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1092 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1093 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1094 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1095 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1096 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1098 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1099 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1104 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1111 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1112 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 184 # Total number of atoms in model: 184 # Number of atoms with 1.0 occupancy: 184 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 184 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1CF1_A ATOM 21 CA SER 926 8.547 46.054 74.902 1.00 1.00 ATOM 22 CA VAL 927 11.362 43.539 75.370 1.00 1.00 ATOM 23 CA LEU 928 11.442 39.747 75.361 1.00 1.00 ATOM 24 CA ASP 929 14.535 37.619 75.984 1.00 1.00 ATOM 25 CA SER 930 15.163 34.222 74.469 1.00 1.00 ATOM 26 CA LEU 931 17.893 31.985 75.877 1.00 1.00 ATOM 27 CA ASN 932 19.063 28.564 74.754 1.00 1.00 ATOM 28 CA ALA 933 19.680 27.177 78.233 1.00 1.00 ATOM 29 CA ARG 934 19.076 27.956 81.882 1.00 1.00 ATOM 30 CA MET 935 22.506 26.627 82.899 1.00 1.00 ATOM 31 CA ALA 936 25.890 27.220 81.248 1.00 1.00 ATOM 32 CA ARG 937 28.759 24.718 81.369 1.00 1.00 ATOM 33 CA PRO 938 32.214 25.463 82.696 1.00 1.00 ATOM 34 CA GLN 939 34.792 22.717 82.062 1.00 1.00 ATOM 35 CA GLY 940 38.012 24.139 83.390 1.00 1.00 ATOM 36 CA SER 941 39.251 25.178 79.947 1.00 1.00 ATOM 37 CA SER 942 36.305 27.290 78.734 1.00 1.00 ATOM 38 CA VAL 943 32.773 28.430 79.518 1.00 1.00 ATOM 39 CA HIS 944 29.725 28.155 77.245 1.00 1.00 ATOM 40 CA ASP 945 28.987 31.730 76.236 1.00 1.00 ATOM 41 CA GLY 946 25.485 33.052 76.680 1.00 1.00 ATOM 42 CA VAL 947 23.936 33.426 73.244 1.00 1.00 ATOM 43 CA PRO 948 20.378 34.479 72.620 1.00 1.00 ATOM 44 CA VAL 949 18.052 36.943 70.989 1.00 1.00 ATOM 45 CA PRO 950 15.924 39.859 72.144 1.00 1.00 ATOM 46 CA PHE 951 12.459 40.383 70.655 1.00 1.00 ATOM 47 CA GLN 952 11.725 44.101 70.558 1.00 1.00 ATOM 48 CA LEU 953 8.314 45.687 69.908 1.00 1.00 ATOM 49 CA PRO 954 9.065 48.229 67.120 1.00 1.00 ATOM 50 CA PRO 955 6.379 50.473 68.591 1.00 1.00 ATOM 51 CA GLY 956 7.168 50.528 72.315 1.00 1.00 ATOM 52 CA VAL 957 10.876 50.905 71.548 1.00 1.00 ATOM 53 CA SER 958 11.344 53.961 69.386 1.00 1.00 ATOM 54 CA ASN 959 14.241 56.337 69.803 1.00 1.00 ATOM 55 CA GLU 960 15.334 54.130 72.667 1.00 1.00 ATOM 56 CA ALA 961 18.190 51.620 72.496 1.00 1.00 ATOM 57 CA GLN 962 18.122 48.101 73.959 1.00 1.00 ATOM 58 CA TYR 963 21.089 46.509 75.719 1.00 1.00 ATOM 59 CA VAL 964 21.775 43.158 77.347 1.00 1.00 ATOM 60 CA PHE 965 24.092 42.811 80.316 1.00 1.00 ATOM 61 CA THR 966 25.795 39.915 82.051 1.00 1.00 ATOM 62 CA ILE 967 26.579 40.490 85.719 1.00 1.00 ATOM 63 CA GLN 968 28.208 38.256 88.286 1.00 1.00 ATOM 64 CA SER 969 28.027 39.396 91.877 1.00 1.00 ATOM 65 CA ILE 970 28.597 38.109 95.383 1.00 1.00 ATOM 66 CA VAL 971 25.918 39.100 97.875 1.00 1.00 ATOM 67 CA MET 972 25.737 38.831 101.659 1.00 1.00 ATOM 68 CA ALA 973 22.829 39.531 103.979 1.00 1.00 ATOM 69 CA GLN 974 19.298 38.497 104.852 1.00 1.00 ATOM 70 CA LYS 975 16.044 40.190 105.616 1.00 1.00 ATOM 71 CA LEU 976 15.140 39.145 109.153 1.00 1.00 ATOM 72 CA LYS 977 12.622 41.406 110.924 1.00 1.00 ATOM 73 CA GLY 978 13.704 43.547 113.912 1.00 1.00 ATOM 74 CA THR 979 17.457 43.393 113.209 1.00 1.00 ATOM 75 CA LEU 980 19.447 46.252 111.661 1.00 1.00 ATOM 106 CA SER 981 17.528 29.623 63.334 1.00 1.00 ATOM 107 CA PHE 982 15.762 31.689 66.021 1.00 1.00 ATOM 108 CA ILE 983 15.712 35.028 64.197 1.00 1.00 ATOM 109 CA ALA 984 13.848 33.254 61.390 1.00 1.00 ATOM 110 CA LYS 985 11.301 31.304 63.434 1.00 1.00 ATOM 111 CA ASN 986 10.730 34.579 65.348 1.00 1.00 ATOM 112 CA ASP 987 10.520 37.637 63.110 1.00 1.00 ATOM 113 CA GLU 988 12.358 40.732 61.931 1.00 1.00 ATOM 114 CA GLY 989 12.309 42.288 65.401 1.00 1.00 ATOM 115 CA ALA 990 14.614 39.587 66.660 1.00 1.00 ATOM 116 CA THR 991 18.202 40.627 67.202 1.00 1.00 ATOM 117 CA HIS 992 21.147 38.543 68.498 1.00 1.00 ATOM 118 CA GLU 993 23.404 39.108 71.488 1.00 1.00 ATOM 119 CA LYS 994 26.350 37.165 72.888 1.00 1.00 ATOM 120 CA LEU 995 27.983 37.537 76.302 1.00 1.00 ATOM 121 CA ASP 996 31.044 35.539 77.333 1.00 1.00 ATOM 122 CA PHE 997 32.408 34.555 80.738 1.00 1.00 ATOM 123 CA ARG 998 35.969 35.370 81.852 1.00 1.00 ATOM 124 CA LEU 999 37.965 32.533 83.433 1.00 1.00 ATOM 125 CA HIS 1000 38.466 34.131 86.863 1.00 1.00 ATOM 126 CA PHE 1001 34.872 33.548 88.008 1.00 1.00 ATOM 127 CA SER 1002 33.451 31.008 90.462 1.00 1.00 ATOM 128 CA CYS 1003 30.564 28.762 89.521 1.00 1.00 ATOM 129 CA SER 1004 27.109 29.078 91.035 1.00 1.00 ATOM 130 CA SER 1005 27.190 28.615 94.793 1.00 1.00 ATOM 131 CA TYR 1006 24.927 30.001 97.510 1.00 1.00 ATOM 132 CA LEU 1007 23.494 29.152 100.891 1.00 1.00 ATOM 133 CA ILE 1008 21.150 30.058 103.722 1.00 1.00 ATOM 134 CA THR 1009 22.090 29.527 107.330 1.00 1.00 ATOM 135 CA THR 1010 20.299 26.842 109.298 1.00 1.00 ATOM 136 CA PRO 1011 18.799 27.620 112.740 1.00 1.00 ATOM 137 CA CYS 1012 22.090 27.389 114.665 1.00 1.00 ATOM 138 CA TYR 1013 24.396 28.817 112.006 1.00 1.00 ATOM 139 CA SER 1014 25.725 32.256 112.914 1.00 1.00 ATOM 140 CA ASP 1015 26.366 33.534 109.380 1.00 1.00 ATOM 141 CA ALA 1016 23.833 35.188 107.084 1.00 1.00 ATOM 193 CA PHE 1017 46.453 5.314 106.206 1.00 1.00 ATOM 194 CA ALA 1018 46.801 6.004 109.904 1.00 1.00 ATOM 195 CA LYS 1019 48.228 4.013 112.791 1.00 1.00 ATOM 196 CA LEU 1020 46.590 4.756 116.159 1.00 1.00 ATOM 197 CA LEU 1021 48.684 3.514 119.082 1.00 1.00 ATOM 198 CA GLU 1022 46.832 2.541 122.228 1.00 1.00 ATOM 199 CA SER 1023 49.029 1.176 125.004 1.00 1.00 ATOM 200 CA GLY 1024 51.777 0.601 122.428 1.00 1.00 ATOM 201 CA ASP 1025 49.574 -1.678 120.321 1.00 1.00 ATOM 202 CA LEU 1026 48.680 -0.297 116.873 1.00 1.00 ATOM 203 CA SER 1027 45.163 -0.113 115.480 1.00 1.00 ATOM 204 CA MET 1028 45.787 0.390 111.759 1.00 1.00 ATOM 205 CA SER 1029 43.340 2.254 109.579 1.00 1.00 ATOM 206 CA SER 1030 43.407 2.677 105.829 1.00 1.00 ATOM 207 CA ILE 1031 40.777 4.330 103.653 1.00 1.00 ATOM 208 CA LYS 1032 40.824 4.531 99.870 1.00 1.00 ATOM 209 CA VAL 1033 38.737 5.627 96.919 1.00 1.00 ATOM 210 CA ASP 1034 38.931 4.506 93.293 1.00 1.00 ATOM 211 CA GLY 1035 39.540 8.046 91.904 1.00 1.00 ATOM 222 CA ILE 1036 34.726 3.968 100.182 1.00 1.00 ATOM 223 CA ARG 1037 36.932 1.102 101.275 1.00 1.00 ATOM 224 CA MET 1038 37.955 0.843 104.906 1.00 1.00 ATOM 225 CA SER 1039 40.666 -1.540 106.050 1.00 1.00 ATOM 226 CA PHE 1040 41.351 -1.918 109.781 1.00 1.00 ATOM 227 CA GLN 1041 44.040 -4.149 111.312 1.00 1.00 ATOM 228 CA ASN 1042 43.256 -4.143 115.054 1.00 1.00 ATOM 229 CA LEU 1043 46.276 -5.618 116.852 1.00 1.00 ATOM 230 CA LEU 1044 45.030 -3.787 119.918 1.00 1.00 ATOM 231 CA ALA 1045 43.360 -5.147 123.038 1.00 1.00 ATOM 232 CA LYS 1046 40.228 -3.102 122.485 1.00 1.00 ATOM 233 CA ILE 1047 37.355 -3.726 120.073 1.00 1.00 ATOM 234 CA CYS 1048 36.149 -1.337 117.377 1.00 1.00 ATOM 235 CA PHE 1049 32.434 -1.260 118.246 1.00 1.00 ATOM 236 CA HIS 1050 31.301 0.595 115.131 1.00 1.00 ATOM 237 CA HIS 1051 32.586 1.947 111.809 1.00 1.00 ATOM 238 CA HIS 1052 30.876 5.014 110.356 1.00 1.00 ATOM 239 CA PHE 1053 31.626 6.605 107.016 1.00 1.00 ATOM 240 CA SER 1054 30.268 9.900 105.743 1.00 1.00 ATOM 241 CA VAL 1055 30.658 12.576 103.087 1.00 1.00 ATOM 242 CA VAL 1056 31.165 16.032 104.547 1.00 1.00 ATOM 243 CA GLU 1057 30.751 19.299 102.671 1.00 1.00 ATOM 259 CA VAL 1059 25.559 15.052 102.924 1.00 1.00 ATOM 260 CA ASP 1060 25.734 11.255 102.938 1.00 1.00 ATOM 261 CA SER 1061 26.480 8.633 105.586 1.00 1.00 ATOM 262 CA CYS 1062 26.646 4.866 106.095 1.00 1.00 ATOM 263 CA ALA 1063 27.904 2.430 108.730 1.00 1.00 ATOM 264 CA SER 1064 29.077 -1.166 108.766 1.00 1.00 ATOM 265 CA MET 1065 27.548 -3.881 110.950 1.00 1.00 ATOM 266 CA TYR 1066 30.832 -5.701 111.490 1.00 1.00 ATOM 272 CA ARG 1068 41.782 -9.432 113.952 1.00 1.00 ATOM 273 CA SER 1069 41.398 -7.543 110.684 1.00 1.00 ATOM 274 CA ILE 1070 38.538 -6.402 108.483 1.00 1.00 ATOM 275 CA GLN 1071 38.249 -4.851 105.045 1.00 1.00 ATOM 276 CA GLY 1072 34.773 -3.630 104.286 1.00 1.00 ATOM 277 CA HIS 1073 33.689 -1.226 101.620 1.00 1.00 ATOM 278 CA HIS 1074 30.672 1.042 101.887 1.00 1.00 ATOM 279 CA VAL 1075 29.092 3.114 99.149 1.00 1.00 ATOM 280 CA CYS 1076 27.790 6.627 99.697 1.00 1.00 ATOM 281 CA LEU 1077 26.027 8.971 97.302 1.00 1.00 ATOM 282 CA LEU 1078 26.382 12.729 98.067 1.00 1.00 ATOM 326 CA VAL 1079 35.087 21.277 99.200 1.00 1.00 ATOM 327 CA LYS 1080 34.298 17.671 100.028 1.00 1.00 ATOM 328 CA LYS 1081 35.831 14.910 102.082 1.00 1.00 ATOM 329 CA GLY 1082 35.144 11.448 103.338 1.00 1.00 ATOM 330 CA GLU 1083 35.267 11.051 107.096 1.00 1.00 ATOM 331 CA ASN 1084 35.751 7.698 108.779 1.00 1.00 ATOM 332 CA SER 1085 34.710 7.377 112.416 1.00 1.00 ATOM 333 CA VAL 1086 35.887 4.387 114.441 1.00 1.00 ATOM 334 CA SER 1087 34.092 3.946 117.768 1.00 1.00 ATOM 335 CA VAL 1088 36.569 2.043 119.935 1.00 1.00 ATOM 336 CA ASP 1089 35.442 0.061 122.981 1.00 1.00 ATOM 337 CA GLY 1090 36.957 1.034 126.292 1.00 1.00 ATOM 338 CA LYS 1091 38.324 -1.719 128.505 1.00 1.00 ATOM 339 CA CYS 1092 37.227 -4.167 131.195 1.00 1.00 ATOM 340 CA SER 1093 35.484 -1.569 133.327 1.00 1.00 ATOM 341 CA ASP 1094 34.445 0.605 130.401 1.00 1.00 ATOM 342 CA SER 1095 32.140 3.504 131.130 1.00 1.00 ATOM 343 CA THR 1096 32.591 5.361 127.843 1.00 1.00 ATOM 344 CA LEU 1098 34.245 4.300 124.588 1.00 1.00 ATOM 345 CA SER 1099 36.812 6.440 122.725 1.00 1.00 ATOM 346 CA ASN 1100 36.553 7.536 119.093 1.00 1.00 ATOM 347 CA LEU 1101 39.084 8.181 116.360 1.00 1.00 ATOM 348 CA LEU 1102 38.157 10.102 113.209 1.00 1.00 ATOM 349 CA GLU 1103 40.049 10.570 109.989 1.00 1.00 ATOM 350 CA GLU 1104 39.487 12.276 106.618 1.00 1.00 ATOM 351 CA MET 1105 40.217 11.774 102.936 1.00 1.00 ATOM 352 CA LYS 1106 39.599 14.611 100.487 1.00 1.00 ATOM 353 CA ALA 1107 38.040 14.229 97.050 1.00 1.00 ATOM 354 CA THR 1108 36.539 16.563 94.438 1.00 1.00 ATOM 355 CA LEU 1109 32.934 16.524 93.310 1.00 1.00 ATOM 356 CA ALA 1110 31.552 18.023 90.091 1.00 1.00 ATOM 357 CA LYS 1111 29.486 17.275 87.009 1.00 1.00 ATOM 358 CA CYS 1112 30.607 14.864 84.222 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:06:22 2002 Date: Mon, 22 Jul 2002 09:06:16 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt99.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 08:38:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_496670_13058 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS007_2 Current information on models submitted in prediction T0134TS007 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_2 PIN_496670_13058 6269-7633-6117 07/22/02 08:38:09 casp5@bialko.llnl.gov T0134TS007_3 PIN_477441_13045 6269-7633-6117 07/22/02 08:35:15 casp5@bialko.llnl.gov T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS007_1 PIN_463680_13041 6269-7633-6117 07/22/02 08:34:25 casp5@bialko.llnl.gov T0134TS007_2 PIN_496670_13058 6269-7633-6117 07/22/02 08:38:09 casp5@bialko.llnl.gov T0134TS007_3 PIN_477441_13045 6269-7633-6117 07/22/02 08:35:15 casp5@bialko.llnl.gov T0134TS007_4 PIN_467162_13044 6269-7633-6117 07/22/02 08:35:02 casp5@bialko.llnl.gov T0134TS007_5 PIN_460660_13042 6269-7633-6117 07/22/02 08:34:37 casp5@bialko.llnl.gov T0134SS007_1 PIN_241053_10805 6269-7633-6117 06/15/02 15:12:45 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 T0134 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1B9K_A # Loading PARENT structure: 1b9k (chain: A) # Number of residues in PARENT structure: 237 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue E 886 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 887 # IMPORTANT NOTE! Not complete main chain atoms for residue S 888 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 889 # IMPORTANT NOTE! Not complete main chain atoms for residue V 890 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # IMPORTANT NOTE! Not complete main chain atoms for residue M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue S 899 # IMPORTANT NOTE! Not complete main chain atoms for residue L 900 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 901 # IMPORTANT NOTE! Not complete main chain atoms for residue E 902 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 905 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue S 917 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 32 # Total number of atoms in model: 32 # Number of atoms with 1.0 occupancy: 32 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 32 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1B9K_A ATOM 702 CA GLU 886 6.124 -17.970 14.168 1.00 1.00 ATOM 703 CA ASN 887 3.064 -15.976 15.321 1.00 1.00 ATOM 704 CA SER 888 -0.378 -14.739 14.303 1.00 1.00 ATOM 705 CA TYR 889 0.483 -11.005 13.913 1.00 1.00 ATOM 706 CA VAL 890 -1.438 -10.395 10.665 1.00 1.00 ATOM 707 CA LYS 891 -4.698 -11.608 12.197 1.00 1.00 ATOM 708 CA MET 892 -4.535 -8.772 14.744 1.00 1.00 ATOM 709 CA THR 893 -4.605 -5.760 12.399 1.00 1.00 ATOM 710 CA CYS 894 -8.435 -5.748 12.443 1.00 1.00 ATOM 711 CA ASP 895 -9.129 -7.544 15.744 1.00 1.00 ATOM 712 CA ILE 896 -7.708 -7.130 19.276 1.00 1.00 ATOM 713 CA ARG 897 -8.304 -10.425 21.081 1.00 1.00 ATOM 714 CA GLY 898 -7.059 -13.998 20.560 1.00 1.00 ATOM 715 CA SER 899 -4.114 -16.363 20.428 1.00 1.00 ATOM 716 CA LEU 900 -0.889 -14.707 19.282 1.00 1.00 ATOM 717 CA GLN 901 1.441 -17.751 19.498 1.00 1.00 ATOM 718 CA GLU 902 1.458 -21.405 20.612 1.00 1.00 ATOM 719 CA ASP 903 4.321 -23.973 20.716 1.00 1.00 ATOM 720 CA SER 904 4.345 -27.321 22.525 1.00 1.00 ATOM 721 CA GLN 905 4.977 -25.748 25.940 1.00 1.00 ATOM 722 CA VAL 906 3.351 -22.298 25.999 1.00 1.00 ATOM 723 CA THR 907 0.368 -20.446 24.590 1.00 1.00 ATOM 724 CA VAL 908 0.436 -16.592 24.433 1.00 1.00 ATOM 725 CA ALA 909 -2.965 -14.924 24.343 1.00 1.00 ATOM 726 CA ILE 910 -3.845 -11.263 24.026 1.00 1.00 ATOM 727 CA VAL 911 -6.638 -8.868 24.940 1.00 1.00 ATOM 728 CA LEU 912 -6.237 -5.158 24.004 1.00 1.00 ATOM 729 CA GLU 913 -8.207 -1.913 24.173 1.00 1.00 ATOM 730 CA ASN 914 -7.259 1.488 22.680 1.00 1.00 ATOM 731 CA ARG 915 -8.514 5.041 23.261 1.00 1.00 ATOM 732 CA SER 916 -7.130 8.341 21.996 1.00 1.00 ATOM 733 CA SER 917 -3.311 7.844 21.478 1.00 1.00 TER END ################################ # # # END # # # ################################