From mailer@bialko.llnl.gov Tue Jul 16 19:05:39 2002 Date: Tue, 16 Jul 2002 19:05:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:38:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_499447_12204 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0148SS389_1 Current information on models submitted in prediction T0148SS389 MODEL_INDEX PIN CODE DATE E-mail T0148SS389_1 PIN_499447_12204 1549-8716-6404 07/16/02 18:38:25 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 T0148 MODEL_INDEX PIN CODE DATE E-mail T0148SS389_1 PIN_499447_12204 1549-8716-6404 07/16/02 18:38:25 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0148 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: 163 # Number of residues with nonzero confidence: 163 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0148 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0148.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0148.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0148.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 T0148.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0148 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 T0148.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 17 METHOD METHOD ============================================ METHOD Comments from T0148.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0148 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 T0148.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 17 METHOD METHOD ============================================ METHOD Comments from T0148.t2k.str.rdb METHOD ============================================ METHOD TARGET T0148 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 T0148.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 17 METHOD METHOD ============================================ MODEL 1 M C 0.97 P C 0.91 S C 0.80 F C 0.69 D C 0.60 I E 0.47 V C 0.49 S C 0.53 E C 0.64 I C 0.83 T C 0.86 L H 0.89 H H 0.95 E H 0.96 V H 0.96 R H 0.96 N H 0.96 A H 0.95 V H 0.96 E H 0.96 N H 0.95 A H 0.95 N H 0.91 R H 0.87 V H 0.77 L H 0.66 S H 0.48 T C 0.59 R C 0.56 Y C 0.52 D C 0.60 F C 0.72 R C 0.87 G C 0.92 V C 0.74 E E 0.53 A E 0.79 V E 0.91 I E 0.95 E E 0.95 L E 0.84 N C 0.59 E C 0.88 K C 0.90 N C 0.83 E E 0.58 T E 0.92 I E 0.96 K E 0.95 I E 0.92 T E 0.79 T C 0.55 E C 0.85 S C 0.82 D H 0.60 F H 0.74 Q H 0.81 L H 0.91 E H 0.92 Q H 0.94 L H 0.95 I H 0.97 E H 0.97 I H 0.97 L H 0.96 I H 0.96 G H 0.95 S H 0.96 C H 0.95 I H 0.94 K H 0.87 R C 0.54 G C 0.96 I C 0.94 E C 0.89 H H 0.63 S H 0.66 S H 0.68 L C 0.38 D C 0.55 I C 0.67 P C 0.76 A C 0.66 E C 0.54 S C 0.49 E C 0.50 H C 0.58 H C 0.75 G C 0.86 K C 0.77 L E 0.61 Y E 0.80 S E 0.87 K E 0.91 E E 0.90 I E 0.88 K E 0.89 L E 0.79 K E 0.50 Q C 0.65 G C 0.79 I C 0.74 E C 0.76 T H 0.87 E H 0.91 M H 0.94 A H 0.95 K H 0.96 K H 0.95 I H 0.97 T H 0.97 K H 0.97 L H 0.96 V H 0.94 K H 0.88 D H 0.74 S H 0.53 K C 0.90 I C 0.83 K C 0.53 V E 0.65 Q E 0.73 T E 0.76 Q E 0.75 I E 0.62 Q C 0.61 G C 0.85 E C 0.66 Q E 0.79 V E 0.88 R E 0.88 V E 0.81 T E 0.51 G C 0.73 K C 0.76 S C 0.72 R H 0.76 D H 0.86 D H 0.89 L H 0.97 Q H 0.98 A H 0.98 V H 0.98 I H 0.97 Q H 0.96 L H 0.93 V H 0.86 K H 0.66 S H 0.56 A C 0.57 E C 0.65 L C 0.79 G C 0.90 Q C 0.91 P C 0.82 F C 0.50 Q E 0.53 F E 0.56 N E 0.47 N C 0.51 F C 0.61 R C 0.78 D C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 03:34:39 2002 Date: Tue, 30 Jul 2002 03:34:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0148 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 03:07:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_194112_16922 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0148TS189_1 Current information on models submitted in prediction T0148TS189 MODEL_INDEX PIN CODE DATE E-mail T0148TS189_1 PIN_194112_16922 5035-2079-5263 07/30/02 03:07:14 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 T0148 MODEL_INDEX PIN CODE DATE E-mail T0148TS189_1 PIN_194112_16922 5035-2079-5263 07/30/02 03:07:14 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 TS PFRMAT TS TARGET T0148 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1ID0_A # Loading PARENT structure: 1id0 (chain: A) # Number of residues in PARENT structure: 146 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue V 15 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 16 # IMPORTANT NOTE! Not complete main chain atoms for residue N 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue A 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue R 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue A 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue T 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue I 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue L 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue H 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0148 # Total number of residues in target: 163 # Total number of residues in model: 78 # Total number of atoms in model: 78 # Number of atoms with 1.0 occupancy: 78 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 78 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0148 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1ID0_A ATOM 340 CA VAL 15 28.116 35.089 0.595 1.00 1.00 ATOM 341 CA ARG 16 27.365 31.658 -0.806 1.00 1.00 ATOM 342 CA ASN 17 30.311 31.619 -3.229 1.00 1.00 ATOM 343 CA ALA 18 32.773 32.800 -0.570 1.00 1.00 ATOM 344 CA VAL 19 31.666 30.134 1.835 1.00 1.00 ATOM 345 CA GLU 20 31.904 27.590 -1.000 1.00 1.00 ATOM 346 CA ASN 21 35.546 28.632 -1.557 1.00 1.00 ATOM 347 CA ALA 22 36.222 28.236 2.158 1.00 1.00 ATOM 348 CA ASN 23 34.506 24.870 2.444 1.00 1.00 ATOM 349 CA ARG 24 36.327 23.528 -0.611 1.00 1.00 ATOM 350 CA VAL 25 39.684 24.498 0.947 1.00 1.00 ATOM 351 CA LEU 26 38.691 23.011 4.326 1.00 1.00 ATOM 352 CA SER 27 37.367 19.785 2.813 1.00 1.00 ATOM 353 CA THR 28 40.931 19.216 1.609 1.00 1.00 ATOM 354 CA ARG 29 42.725 20.002 4.862 1.00 1.00 ATOM 355 CA TYR 30 40.319 17.668 6.661 1.00 1.00 ATOM 356 CA ASP 31 39.609 15.176 3.881 1.00 1.00 ATOM 357 CA PHE 32 40.913 12.376 6.064 1.00 1.00 ATOM 358 CA ARG 33 38.446 13.245 8.811 1.00 1.00 ATOM 359 CA GLY 34 35.447 13.101 6.486 1.00 1.00 ATOM 360 CA VAL 35 33.642 16.084 7.940 1.00 1.00 ATOM 361 CA GLU 36 30.216 16.634 6.426 1.00 1.00 ATOM 362 CA ALA 37 29.641 20.404 5.951 1.00 1.00 ATOM 363 CA VAL 38 26.073 21.390 5.034 1.00 1.00 ATOM 364 CA ILE 39 25.199 24.910 3.868 1.00 1.00 ATOM 365 CA GLU 40 21.879 26.742 3.966 1.00 1.00 ATOM 366 CA LEU 41 22.702 30.134 2.426 1.00 1.00 ATOM 367 CA ASN 42 20.052 31.802 0.291 1.00 1.00 ATOM 368 CA GLU 43 21.466 33.184 -3.001 1.00 1.00 ATOM 369 CA THR 47 20.601 36.802 -2.176 1.00 1.00 ATOM 370 CA ILE 48 22.683 36.850 1.006 1.00 1.00 ATOM 371 CA LYS 49 25.548 39.339 0.683 1.00 1.00 ATOM 372 CA ILE 50 28.264 40.925 2.782 1.00 1.00 ATOM 373 CA THR 51 28.981 44.645 2.494 1.00 1.00 ATOM 374 CA THR 52 32.588 45.419 3.295 1.00 1.00 ATOM 375 CA GLU 53 36.115 44.124 2.675 1.00 1.00 ATOM 376 CA SER 54 35.933 40.567 1.355 1.00 1.00 ATOM 377 CA ASP 55 39.101 39.530 3.187 1.00 1.00 ATOM 378 CA PHE 56 37.620 40.611 6.519 1.00 1.00 ATOM 379 CA GLN 57 34.609 38.324 6.023 1.00 1.00 ATOM 380 CA LEU 58 36.845 35.444 4.963 1.00 1.00 ATOM 381 CA GLU 59 39.348 35.817 7.802 1.00 1.00 ATOM 382 CA GLN 60 36.514 35.711 10.349 1.00 1.00 ATOM 383 CA LEU 61 34.629 32.859 8.717 1.00 1.00 ATOM 384 CA ILE 62 37.732 30.921 7.874 1.00 1.00 ATOM 385 CA GLU 63 38.694 30.835 11.546 1.00 1.00 ATOM 386 CA ILE 64 35.254 29.815 12.744 1.00 1.00 ATOM 387 CA LEU 65 34.773 27.167 10.044 1.00 1.00 ATOM 388 CA ILE 66 38.240 25.697 10.585 1.00 1.00 ATOM 389 CA GLY 67 37.448 25.344 14.301 1.00 1.00 ATOM 390 CA SER 68 34.149 23.601 13.527 1.00 1.00 ATOM 391 CA CYS 69 35.921 21.117 11.218 1.00 1.00 ATOM 392 CA ILE 70 38.693 20.621 13.764 1.00 1.00 ATOM 393 CA LYS 71 36.517 20.030 16.815 1.00 1.00 ATOM 394 CA GLY 73 33.454 18.342 15.363 1.00 1.00 ATOM 395 CA ILE 74 32.854 14.617 15.522 1.00 1.00 ATOM 396 CA SER 77 31.395 14.556 12.006 1.00 1.00 ATOM 397 CA SER 78 28.794 17.228 11.234 1.00 1.00 ATOM 398 CA LEU 79 29.102 20.961 10.687 1.00 1.00 ATOM 399 CA ASP 80 26.094 23.112 9.692 1.00 1.00 ATOM 400 CA ILE 81 26.325 26.652 8.340 1.00 1.00 ATOM 401 CA PRO 82 23.301 28.919 7.988 1.00 1.00 ATOM 402 CA ALA 83 22.772 32.581 7.304 1.00 1.00 ATOM 403 CA SER 85 20.229 35.333 7.382 1.00 1.00 ATOM 404 CA GLU 86 20.351 39.067 6.796 1.00 1.00 ATOM 405 CA HIS 87 18.367 42.064 7.846 1.00 1.00 ATOM 406 CA HIS 88 18.531 45.657 6.727 1.00 1.00 ATOM 407 CA GLY 89 21.765 46.451 8.591 1.00 1.00 ATOM 408 CA LYS 90 23.110 43.112 9.785 1.00 1.00 ATOM 409 CA LEU 91 24.378 39.820 8.413 1.00 1.00 ATOM 410 CA TYR 92 24.205 36.723 10.652 1.00 1.00 ATOM 411 CA SER 93 26.237 33.562 9.912 1.00 1.00 ATOM 412 CA LYS 94 25.718 30.624 12.279 1.00 1.00 ATOM 413 CA GLU 95 28.180 27.726 12.414 1.00 1.00 ATOM 414 CA ILE 96 27.202 24.663 14.433 1.00 1.00 ATOM 415 CA LYS 97 29.036 21.425 15.080 1.00 1.00 ATOM 416 CA LEU 98 28.565 18.185 16.948 1.00 1.00 ATOM 417 CA LYS 99 31.808 18.286 18.935 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 03:37:18 2002 Date: Tue, 30 Jul 2002 03:37:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0148 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 30 03:09:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_217226_16930 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0148TS189_2 Current information on models submitted in prediction T0148TS189 MODEL_INDEX PIN CODE DATE E-mail T0148TS189_2 PIN_217226_16930 5035-2079-5263 07/30/02 03:09:33 casp5@bialko.llnl.gov T0148TS189_1 PIN_194112_16922 5035-2079-5263 07/30/02 03:07:14 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 T0148 MODEL_INDEX PIN CODE DATE E-mail T0148TS189_1 PIN_194112_16922 5035-2079-5263 07/30/02 03:07:14 casp5@bialko.llnl.gov T0148TS189_2 PIN_217226_16930 5035-2079-5263 07/30/02 03:09:33 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0148 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1EFC_A # Loading PARENT structure: 1efc (chain: A) # Number of residues in PARENT structure: 386 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue L 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue V 15 # IMPORTANT NOTE! Not complete main chain atoms for residue R 16 # IMPORTANT NOTE! Not complete main chain atoms for residue N 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue A 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue R 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue F 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue A 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue F 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue I 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue L 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue R 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue E 84 # IMPORTANT NOTE! Not complete main chain atoms for residue S 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue H 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue I 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0148 # Total number of residues in target: 163 # Total number of residues in model: 96 # Total number of atoms in model: 96 # Number of atoms with 1.0 occupancy: 96 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 96 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0148 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1EFC_A ATOM 138 CA SER 8 36.287 40.601 31.994 1.00 1.00 ATOM 139 CA GLU 9 38.550 38.427 34.178 1.00 1.00 ATOM 140 CA ILE 10 41.382 40.938 34.583 1.00 1.00 ATOM 141 CA THR 11 41.041 44.426 36.016 1.00 1.00 ATOM 142 CA LEU 12 44.679 45.488 35.917 1.00 1.00 ATOM 143 CA HIS 13 45.435 47.799 32.969 1.00 1.00 ATOM 144 CA GLU 14 49.170 47.400 33.595 1.00 1.00 ATOM 145 CA VAL 15 48.786 43.672 32.942 1.00 1.00 ATOM 146 CA ARG 16 46.683 44.211 29.796 1.00 1.00 ATOM 147 CA ASN 17 49.338 46.588 28.478 1.00 1.00 ATOM 148 CA ALA 18 52.104 44.066 29.139 1.00 1.00 ATOM 149 CA VAL 19 50.219 41.248 27.396 1.00 1.00 ATOM 150 CA GLU 20 49.617 43.548 24.402 1.00 1.00 ATOM 151 CA ASN 21 53.344 44.402 24.239 1.00 1.00 ATOM 152 CA ALA 22 54.221 40.701 24.313 1.00 1.00 ATOM 153 CA ASN 23 51.818 39.923 21.463 1.00 1.00 ATOM 154 CA ARG 24 53.078 42.817 19.336 1.00 1.00 ATOM 155 CA VAL 25 56.636 41.554 19.881 1.00 1.00 ATOM 156 CA LEU 26 55.687 37.977 19.003 1.00 1.00 ATOM 157 CA SER 27 53.965 39.205 15.838 1.00 1.00 ATOM 158 CA THR 28 57.010 41.290 14.811 1.00 1.00 ATOM 159 CA ARG 29 59.308 38.321 15.405 1.00 1.00 ATOM 160 CA TYR 30 57.436 36.556 12.622 1.00 1.00 ATOM 161 CA ASP 31 57.543 39.626 10.451 1.00 1.00 ATOM 162 CA PHE 32 53.935 40.810 10.981 1.00 1.00 ATOM 163 CA ARG 33 53.622 44.585 11.619 1.00 1.00 ATOM 164 CA GLY 34 53.153 44.182 15.372 1.00 1.00 ATOM 165 CA VAL 35 53.389 47.873 16.226 1.00 1.00 ATOM 166 CA GLU 36 50.581 48.716 13.797 1.00 1.00 ATOM 167 CA ALA 37 48.373 45.712 14.536 1.00 1.00 ATOM 168 CA VAL 38 44.860 46.400 15.775 1.00 1.00 ATOM 169 CA ILE 39 44.301 44.875 19.217 1.00 1.00 ATOM 170 CA GLU 40 40.806 44.904 20.699 1.00 1.00 ATOM 171 CA LEU 41 40.398 44.302 24.438 1.00 1.00 ATOM 172 CA ASN 42 37.122 42.452 24.987 1.00 1.00 ATOM 173 CA GLU 43 35.165 39.550 26.415 1.00 1.00 ATOM 183 CA GLU 53 29.440 47.274 26.754 1.00 1.00 ATOM 184 CA SER 54 31.278 44.137 25.706 1.00 1.00 ATOM 185 CA ASP 55 29.233 43.758 22.535 1.00 1.00 ATOM 186 CA PHE 56 30.640 47.167 21.569 1.00 1.00 ATOM 187 CA GLN 57 34.143 45.574 21.459 1.00 1.00 ATOM 188 CA LEU 58 32.903 42.957 18.985 1.00 1.00 ATOM 189 CA GLU 59 31.690 45.812 16.792 1.00 1.00 ATOM 190 CA GLN 60 35.110 47.412 17.150 1.00 1.00 ATOM 191 CA LEU 61 36.704 44.141 15.980 1.00 1.00 ATOM 192 CA ILE 62 34.348 43.897 12.995 1.00 1.00 ATOM 193 CA GLU 63 35.334 47.488 12.173 1.00 1.00 ATOM 194 CA ILE 64 39.014 46.409 11.968 1.00 1.00 ATOM 195 CA LEU 65 38.103 43.408 9.780 1.00 1.00 ATOM 196 CA ILE 66 36.567 46.010 7.411 1.00 1.00 ATOM 197 CA GLY 67 39.255 48.708 7.623 1.00 1.00 ATOM 198 CA SER 68 42.510 46.800 8.183 1.00 1.00 ATOM 199 CA CYS 69 42.072 43.887 5.737 1.00 1.00 ATOM 200 CA ILE 70 42.156 45.302 2.219 1.00 1.00 ATOM 201 CA LYS 71 39.747 44.057 -0.392 1.00 1.00 ATOM 204 CA ARG 72 40.428 39.114 -7.659 1.00 1.00 ATOM 205 CA GLY 73 41.770 36.229 -9.728 1.00 1.00 ATOM 206 CA ILE 74 40.625 38.058 -12.826 1.00 1.00 ATOM 207 CA GLU 75 42.979 40.888 -11.932 1.00 1.00 ATOM 212 CA LEU 79 46.457 28.225 -16.890 1.00 1.00 ATOM 213 CA ASP 80 47.707 24.797 -15.700 1.00 1.00 ATOM 214 CA ILE 81 47.664 22.545 -18.759 1.00 1.00 ATOM 215 CA PRO 82 45.460 19.492 -18.226 1.00 1.00 ATOM 216 CA ALA 83 45.473 18.088 -21.772 1.00 1.00 ATOM 217 CA GLU 84 46.830 18.644 -25.259 1.00 1.00 ATOM 218 CA SER 85 45.417 17.911 -28.676 1.00 1.00 ATOM 219 CA GLU 86 46.806 18.094 -32.187 1.00 1.00 ATOM 220 CA HIS 87 43.946 19.693 -34.112 1.00 1.00 ATOM 221 CA HIS 88 42.472 20.406 -37.539 1.00 1.00 ATOM 222 CA GLY 89 44.824 22.542 -39.667 1.00 1.00 ATOM 223 CA LYS 90 48.206 22.383 -37.921 1.00 1.00 ATOM 224 CA LEU 91 47.381 23.599 -34.440 1.00 1.00 ATOM 225 CA TYR 92 47.927 22.245 -31.004 1.00 1.00 ATOM 226 CA SER 93 45.360 23.196 -28.410 1.00 1.00 ATOM 227 CA LYS 94 46.083 22.914 -24.667 1.00 1.00 ATOM 228 CA GLU 95 43.135 22.651 -22.264 1.00 1.00 ATOM 229 CA ILE 96 42.806 23.658 -18.628 1.00 1.00 ATOM 230 CA LYS 97 41.067 26.022 -16.278 1.00 1.00 ATOM 231 CA LEU 98 42.035 29.693 -16.271 1.00 1.00 ATOM 232 CA LYS 99 43.198 29.989 -12.688 1.00 1.00 ATOM 233 CA GLN 100 44.079 33.671 -13.004 1.00 1.00 ATOM 234 CA GLY 101 43.745 36.713 -15.283 1.00 1.00 ATOM 235 CA ILE 102 42.621 36.595 -18.887 1.00 1.00 ATOM 236 CA GLU 103 44.133 35.256 -22.087 1.00 1.00 ATOM 237 CA ILE 125 43.146 37.181 -25.235 1.00 1.00 ATOM 238 CA GLN 126 43.520 36.082 -28.802 1.00 1.00 ATOM 239 CA GLY 127 46.696 37.629 -30.206 1.00 1.00 ATOM 240 CA GLU 128 48.530 37.790 -26.868 1.00 1.00 ATOM 241 CA GLN 129 51.817 36.028 -26.123 1.00 1.00 ATOM 242 CA VAL 130 52.218 33.338 -23.507 1.00 1.00 ATOM 243 CA ARG 131 55.065 31.519 -21.839 1.00 1.00 ATOM 244 CA VAL 132 54.844 27.719 -21.487 1.00 1.00 ATOM 245 CA THR 133 56.649 27.320 -18.135 1.00 1.00 ATOM 246 CA GLY 134 57.827 24.202 -16.344 1.00 1.00 ATOM 247 CA LYS 135 59.477 20.833 -16.907 1.00 1.00 ATOM 248 CA SER 136 61.662 21.908 -19.812 1.00 1.00 TER END ################################ # # # END # # # ################################