LOOPP parallel driver v5.0 (06/13/08 15:45 EDT) with LOOPP v3.0 (compiled Jul 11 2008 17:20:20)
[NEWSABLE] [HSHFL] [ENE] [NEWALICHOICE]
This is HTML output, the other options are plain text, CASP AL and CASP TS formats.
If an error occured during execution it is logged in plain text version only,
there is no need to look for an error if this file ends with 'DONE' statement.
STARTING:Sat Aug 09 18:36:34 2008 EST
INPUT:
sim_min = 40.0% minimum sequence identity (%)
sim_max = 80.0% maximum sequence identity (%)
len_dif = 20.0% maximum length difference (% of query sequence length)
between query and homolog
nmax = 1 maximum number of homologous sequences (including query sequence)
maxout = 5 maximum number of outputted matches
strict = 0 all alignments will be accepted from LOOPP results
for homologs; they will be translated to query sequence
alignments using BLAST results
casp = 5 maximum number of outputted matches in CASP format
align = 'g' only corresponding global alignments will be reported
maxdiff = 50.0% only alignments differing no more than 50.0% from the query
sequence will be reported, or when reject=0, corresponding local
alignments will be reported
reject = 1 alignments shorter more than 50.0% from the query sequence
will be rejected
seccut = 0.00 structures with sec. str. score below seccut will be rejected
secdb = 1 type of secondary structure description: 1 - DSSB, 0 - phi/psi map
tasktb = 11111111111111111111 type of initial calculations
pdbcut = 60.0% pdb sequence identity threshold (%)
pdbstop = 0 stop if PDB structure with similarity above pdbcut found
domains = 0 query sequence will be decomposed into putative domains if =1
maxall = 300 maximum number of models evaluated in the second stage
refstr = 0 if equal to 1 rmsd distances between all hits and a reference structure
will be reported
maxpdb = 5 number of top PDB hits added to the second stage scoring
maxdyn = 5 number of dynamic domain entries from database added to the second stage scoring
beautify = 0 use pdb beautifier
rmsdtables = 1 compute rmsd tables between hits
local LOOPP/BLAST database will be used
input file T0419
--> 496 residues, sequence name: T0419
Database: T:\CBSU\blastdb\20080108\nr
-> 39 homolog sequences with sequence identity from 40.0% to 80.0% satisfying length constraints found
-> 0 representatives will be used in search (nmax=1 including query sequence)
Histogram of all homolog sequences found by BLAST (e-value cutoff 0.01, length constr.) by sequence identity:
| 00%-10% | 10%-20% | 20%-30% | 30%-40% | 40%-50% | 50%-60% | 60%-70% | 70%-80% | 80%-90% | 90%-100% |
| 0 | 0 | 0 | 8 | 19 | 7 | 2 | 11 | 1 | 4 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 27.66 | 27.39 | 20.35 | 22.46 |
2 | 27.66 | 0.00 | 29.12 | 24.40 | 27.49 |
3 | 27.39 | 29.12 | 0.00 | 26.89 | 27.33 |
4 | 20.35 | 24.40 | 26.89 | 0.00 | 23.31 |
5 | 22.46 | 27.49 | 27.33 | 23.31 | 0.00 |
Similarity table for hits: percentage of chain fitting below 3Å RMSD (Cells are shaded according to similarity starting at 30%)
1 | 2 | 3 | 4 | 5 | |
1 | 100.00 | 5.74 | 5.74 | 8.90 | 5.10 |
2 | 5.74 | 100.00 | 4.82 | 6.60 | 5.30 |
3 | 5.74 | 4.82 | 100.00 | 5.96 | 6.95 |
4 | 8.90 | 6.60 | 5.96 | 100.00 | 5.71 |
5 | 5.10 | 5.30 | 6.95 | 5.71 | 100.00 |
Similarity table for hits: percentage of chain fitting below 6Å RMSD (Cells are shaded according to similarity starting at 50%)
1 | 2 | 3 | 4 | 5 | |
1 | 100.00 | 10.38 | 8.37 | 12.56 | 11.25 |
2 | 10.38 | 100.00 | 10.84 | 11.08 | 9.05 |
3 | 8.37 | 10.84 | 100.00 | 10.62 | 10.07 |
4 | 12.56 | 11.08 | 10.62 | 100.00 | 20.09 |
5 | 11.25 | 9.05 | 10.07 | 20.09 | 100.00 |
ALIGNMENTS
--> hit 1 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 43.65% helical, 14.87% extended, 41.49% loops/other (query: 49.80% 12.50% 37.70%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Aminoacid dehydrogenase-like, N-terminal domain]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1V9L_A c.58.1.1 236.10.10.4 NONE -133.939 0 1 84.07% 12.68% OPTM -1278.433 -996.200 1.561 0.335 0.247 0.761 0.859 15.600 -63.8 0.960 34.000 -4.5 0.380 -18.500 -130.5 0.900 3.490 14.4 0.420 5.140 -69.2 1.170 3.690 83.2 0.230 2.510 -36.6 7.580 13.800 -16.7 5.040 -11.050 -84.1 -30.000 37.000 -206.0 -30.000 -2.000 -227.0 0.780 -1.000 133.0 -0.170 -4.000 -50.0 -0.980 3.000 -79.0 0.800 -12.000 -182.0 5.000 -1.4 0.247 -15.7 60.000 550.0 5.000 -1.3 0.041 -1.1 0.19 0.83
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHHHHHHHHHHH----EEEEE--------HHHHHHHHH-----EEEEEE-----HHHHH---HHHHHHH------E
Query: 22 ELREALLEAQFELKQQARFPVIILINGIEGAGKGETVKLLNEWMDPRLIEVQSFLRPSDEELERPPQWRFWRRLPPKGRT 101
Sbjct: 5 GFLEYVLNYVKKGVELGGFP-------------EDFYKILSRPRRVLIVNIPVRLDGG----------------GFEVFE 55
HHHHHHHHHHHHHHH----H HHHHHHH---EEEEEEEEEE----- EEEEEE
EEEE---HHHHHHHHH-- ---HHHHHHHHHHHHHHHHHHHH---EEEEEEEE--HHHHHHHHHHH-----
Query: 102 GIFFGNWYSQMLYARVEG----------HIKEAKLDQAIDAAERFERMLCDEGALLFKFWFHLSKKQLKERLKALEKDPQ 171
Sbjct: 56 GYRVQHCDV-------LGPYKGGVRFHPEVT-LADDVALAILMTLKNSLAGLPYGGAKGAVRV--------------DPK 113
EEEEEE--- --EEEEEE------H HHHHHHHHHHHHHHHH------EEEEEE--- ---
------HHHHHHHHHHHHHHHHHHHHHHHH------EEEEE---HHHHHHHHHHHHHHHHHHHHH---------------
Query: 172 HSWKLSPLDWKQSEVYDRFVHYGERVLRRTSRDYAPWYVVEGADERYRALTVGRILLEGLQAALATKERAKRQPHAAPLV 251
Sbjct: 114 ---KLS------QRELEELSRGYARAIAPLIGDVVDIPAPDVGTN----AQIMAWMVDEYSKIKGY--------NVPGVF 172
--H HHHHHHHHHHHHHH--------EEEE------H HHHHHHHHHHHHHH--- ------
-------------------HHHHHHHHHHHHHHHHHHHHHHHH----EEEEE---------HHHHHHHH-----EEEEE-
Query: 252 SSLDNRGLLDSLDLGQYLDKDAYKEQLAAEQARLAGLIRDKRFRQHSLVAVFEGNDAAGKGGAIRRVTDALDPRQYHIVP 331
Sbjct: 173 TSKPPE--LWGNPVREY-------ATGFGVAVATREMAKKLWGGIEGKTVAIQGMG--NVGRWTAYWLEKMGAKVIAVSD 241
------ --------H HHHHHHHHHHHHHHHHH------EEEEE---H HHHHHHHHHH----EEEEEE--
- ----HHHHH HHHHHHHHHH- ----EEEEE-- ---- -EEEEE-
Query: 332 I--------AAPTEEERA-----QPYLWRFWRHI-------------PARRQFTIFDR-------SWYG----RVLVERI 374
Sbjct: 242 INGVAYRKEGLNVELIQKNKGLTGPALVELFTTKDNAEFVKNPDAIFKLDVDIFVPAAIENVIRGDNAGLVKARLVVEGA 321
--EEE-------HHHHH-----HHHHHHHHHH-------------------EEEE------------------EEE----
-----HHHHHHHHHHHHHHHHHHHH---EEEEEEEE--HHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHHH
Query: 375 EGFCAPADWLRAYGEINDFEEQLSEYGIIVVKFWLAIDKQTQMERFKEREKTPYKRYKITEEDWRNRDKWDQYVDAVGDM 454
Sbjct: 322 NGPTTP-----------EAERILYERGVVVVPDILANAGGVIMSYLEWVENLQW--YIWDEEETRKR-LENIMVNNVERV 387
----HH HHHHHH----EEE-HHHH--HHHHHHHHHHHHHH--- ---HHHHHHHH HHHHHHHHHHHH
HHH-------EEEEE----HHHHHHHHHHHHHH-------
Query: 455 VDRTSTEIAPWTLVEANDKRFARVKVLRTINDAIEAAYKK 494
Sbjct: 388 YKRWQREK-GW-----TMRDAAIVTALERIYNAMKIRGWI 421
HHH----- -- HHHHHHHHHHHHHHHHHHH----I
417 residues (84.07%) of query sequence aligned
--> hit 2 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 44.83% helical, 16.01% extended, 39.16% loops/other (query: 49.80% 12.50% 37.70%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Periplasmic binding protein-like II]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1EU8_A c.94.1.1 236.6.6.6 NONE -134.197 0 1 81.85% 6.84% OPTM -1070.020 -927.230 1.640 0.408 0.310 0.760 0.841 13.860 -65.0 2.790 70.000 -32.0 1.370 46.000 -155.0 0.710 -5.890 14.4 0.720 5.550 -67.8 0.690 3.640 80.3 0.700 5.250 -32.3 9.890 7.850 -16.1 8.270 -0.490 -90.9 -30.000 36.000 -206.0 -30.000 13.000 -230.0 0.030 22.000 112.0 -0.250 2.000 -53.0 1.890 34.000 -97.0 2.970 30.000 -204.0 5.000 0.7 -1.423 -14.1 -16.000 715.0 5.000 0.7 -0.208 -0.1 0.24 0.83
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----EEEEE-------- HHHHHHHHH-----EEEEEE-----HHHHH---HHHHHHH------ EEEEE---HHHH
Query: 38 ARFPVIILINGIEGAGK--GETVKLLNEWMDPRLIEVQSFLRPSDEELERPPQWRFWRRLPPKGR---TGIFFGNWYSQM 112
Sbjct: 3 EEGKIVFAVGGAPNEIEYWKGVIAEFEKKYPGVTVELKRQATDTEQRRL-----DLVNALRGKSSDPDVFLMDVAWLGQF 77
--EEEEEE---HHHHHHHHHHHHHHHHH----EEEEEE----HHHHHHH HHHHH------EEEEEEE---HHHHH
HHHHH-----HHHHHHHHHHH HHHHHHHHH-- -EEEEEEEE--HHHHHHHHHHH-----------H
Query: 113 LYARVEGHIKEAKLDQAIDAA--------ERFERMLCDEG------ALLFKFWFHLSKKQLKERLKALEKDPQHSWKLSP 178
Sbjct: 78 IASGWLEPL-----DDYVQKDNYDLSVFFQSVINLADKQGGKLYALPVYIDAGLLYYRKDLLEKYG-YSKPPET------ 145
HH------H HHHHHH--------HHHHHHH-EE--EE--EEEEEEE-EEEEEHHHHHH--- ------H
HHHHHHHHHHHHHHHHHHHHHHH------EEEEE---HHHHHHHHHHHHHHHHHHHHH----------------------
Query: 179 LDWKQSEVYDRFVHYGERVLRRTSRDYAPWYVVEGADERYRALTVGRILLEGLQAALATKERAKRQPHAAPLVSSLDNRG 258
Sbjct: 146 --------WQELVEMAQKIQSGERETNPNFWGFVWQGKQYEGLVCDFVEYVYS---------------NGGSLGEFKDGK 202
HHHHHHHHHHHHHH-------EEEE------HHHHHHHHHHHH-- ----EEEE--EE
------------HHHHHHHHHHHHHHHHHHHHHHHH----EEEEE--------- HHHHHHHH-----EEEEE------
Query: 259 LLDSLDLGQYLDKDAYKEQLAAEQARLAGLIRDKRFRQHSLVAVFEGNDAAGKG--GAIRRVTDALDPRQYHIVPIAAPT 336
Sbjct: 203 WVPTLNK--------------PENVEALQFMVDLIHKYK-----ISPPNTYTEMTEEPVRLMFQQGNAAFERNWP----- 258
EE----H HHHHHHHHHHHHHH---- ----------HHHHHHHHH---EEEEEE--H
HHHHHHHHHHHHHHH -----EEEEE------- EEEEE------HHHHHHHHHHH HHHHHHHHH-
Query: 337 EEERAQPYLWRFWRH--IPARRQFTIFDRSWYGR-----------VLVERIEGFCAPADWLRAYGEI---NDFEEQLSEY 400
Sbjct: 259 -------YAWGLHNADDSPVKGKVGVAPLPHFPGHKSAATLGGWHIGISKYSD--NKALAWEFVKFVESYSVQKGFAMNL 329
HHHHH----------EEEE-------------EEEEEEEE------ HHHHHHHHHHH--HHHHHHHHHH--
--EEEEEEEE--HHHH HHHHHHHH----------HHHHHHHHHHHHHHHHHHHHHHH-------EEEEE----HH
Query: 401 GIIVVKFWLAIDKQTQ-----MERFKEREKTPYKRYKITEEDWRNRDKWDQYVDAVGDMVDRTSTEIAPWTLVEANDKRF 475
Sbjct: 330 GWNPGRVDVYDDPAVVSKSPHLKELRAVFENAVPRPIVP----YYPQLSEIIQKYVNSALAGK------------ISPQE 393
-----------HHHHHH--HHHH-HHHHH---------- HHHHHHHHHHHHHHHHH--- -HHHH
HHHHHHHHHHHH---
Query: 476 ARVKVLRTINDAIEA 490
Sbjct: 394 ALDKAQKEAEELVKQ 408
HHHHHHHHHHHH--Q
406 residues (81.85%) of query sequence aligned
--> hit 3 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 59.36% helical, 3.88% extended, 36.76% loops/other (query: 49.80% 12.50% 37.70%)
SCOP classification: [All alpha proteins]/[L-aspartase-like]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1TJ7_A a.127.1.1 25.4.4.4 NONE -999.000 0 1 84.27% 11.72% OPTM -1065.913 -736.460 1.766 0.384 0.283 0.662 0.713 -2.180 -56.0 0.950 34.000 -100.0 0.490 -5.500 -169.0 1.800 10.540 -32.2 0.460 -1.820 -76.4 1.930 20.010 20.5 -0.560 -4.490 -45.5 3.540 15.640 -65.0 3.040 -5.810 -104.3 -30.000 8.000 -246.0 -30.000 -13.000 -254.0 0.890 56.000 18.0 -0.080 -16.000 -67.0 -0.150 -23.000 -108.0 2.920 0.000 -205.0 5.000 -1.4 -2.170 -10.0 8.000 807.0 5.000 -1.4 -1.432 -0.9 0.23 0.64
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----HHHHH---HHHHHHH------EEEEE---HHHHHHHHH- ----HHHHHHHHHHHHHHHHHHHH---EE
Query: 76 LRPSDEELERPPQWRFWRRLPPKGRTGIFFGNWYSQMLYARVE--------GHIKEAKLDQAIDAAERFERMLCDEGALL 147
Sbjct: 10 QAADQRFKQFNDSLRFDYRL-------------AEQDIVGSVAWSKALVTVGVLTAEEQAQLEEALNVLLEDVRARPQ-- 74
---HHHHHHH--HHHH---H HHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHHHH----
EEEEEE-- HHHHHHHHHHH--------- --HHHHHHHHHHHHHHHHHHHHHHHH- -----E
Query: 148 FKFWFHLS-----------KKQLKERLKALEKDPQHSWK-----LSPLDWKQSEVYDRFVHYGERVLRRTS---RDYAPW 208
Sbjct: 75 -----QILESDAEDIHSWVEGKLIDKVGQLGKKLHTGRSRNDQVATDLKLWCKDTVSELLTANRQLQSALVETAQNNQDA 149
--------HHHHHHHHHHHHH------------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH-----E
EEEE--- HHHHHHHHHHHHHHHHHHHHH--------- ------------------------
Query: 209 YVVEGAD--------ERYRALTVGRILLEGLQAALATKERAKRQP----HAAPLVSSLDNRGLLDSLDLGQYL------- 269
Sbjct: 150 VMPGYTHLQRAQPVTFAHWCLAYVEMLARDESRLQDALKRLDVSPLGCGALAGTAYEIDREQLAGWLGFASATRNSLDSV 229
EEEEE--EEEEEEEHHHHHHHHHHHHHHHHHHHHHHHHHH------------------HHHHHHHH--------HHHHHH
-HHHHHHHHHHHH HHHHHHHHHHHH----EEEEE--------- HHHHHHHH-----EEEEE-----
Query: 270 -DKDAYKEQLAAEQ---ARLAGLIRDKRFRQHSLVAVFEGNDAAGKG----------GAIRRVTDALDPRQYHIVPIAAP 335
Sbjct: 230 SDRDHVLELLSAAAIGMVHLSRFAEDLIFFNTGEAGFVELSDRVTSGSSLMPQKKNPDALELIRGK-------------- 295
--HHHHHHHHHHHHHHHHHHHHHHHHHHH-------EE------------------HHHHHHHH-H
-HHHHHHHHHHHHHHH-----EEEEE-------EEEEE----- -HHHHHHHHHHHHHHHHHHHH- --EEEEEEEE--
Query: 336 TEEERAQPYLWRFWRHIPARRQFTIFDRSWYGRVLVERIEGFC-APADWLRAYGEINDFEEQLSEY--GIIVVKFWLAID 412
Sbjct: 296 --CGRVQGALTGMMMTLKG------LPLAYN--------KDMQEDKEGLFDALDTWLDCLHMAALVLDGI-------QVK 352
HHHHHHHHHHHHHH--- ------ ----HHHHHHHHHHHHHHHHHHHHHHH---E E-H
HHHHHHHHHHHH----------HHHHHH HHHHHHHHHHHHHHHHH------- EEEEE----HHHHHHHHH
Query: 413 KQTQMERFKEREKTPYKRYKITEEDWRN----RDKWDQYVDAVGDMVDRTSTEIAP------WTLVEANDKRFARVKVLR 482
Sbjct: 353 R----PRCQEAAQQGYANATELADYLVAKGVPFREAHHIVGEAVVEAIRQGKPLEDLPLSELQKFSQVIDEDVYPILSLQ 428
H HHHHHH------HHHHHHHHHH----HHHHHHHHHHHHHHHHHH--------HHHH----------HHHH--HHH
HHHHH------
Query: 483 TINDAIEAAYK 493
Sbjct: 429 SCLDKRAAKGG 439
HHH--------
418 residues (84.27%) of query sequence aligned
--> hit 4 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 43.24% helical, 11.75% extended, 45.01% loops/other (query: 49.80% 12.50% 37.70%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Chelatase-like]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1MIO_B c.92.2.3 236.5.5.2 NONE -999.000 0 1 81.85% 10.50% OPTM -990.822 -727.000 1.756 0.382 0.226 0.686 0.714 0.150 -61.1 -0.340 -1.500 14.5 -0.770 -4.500 -90.0 0.520 3.740 -23.4 -0.800 -2.220 -65.2 0.500 0.610 40.1 -0.830 -3.460 -29.9 9.150 12.480 -72.9 6.700 -0.100 -94.3 -30.000 -13.000 -247.0 -30.000 -6.000 -264.0 -0.240 -19.000 108.0 -0.040 1.000 -52.0 2.790 9.000 -174.0 2.580 3.000 -215.0 5.000 -0.5 0.202 -16.2 -106.000 551.0 5.000 -0.5 0.544 -0.1 0.24 0.85
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHHHHHHHHH----EEEEE---- ---- HHHHHHHHH-----EEEEEE-----HHHHH---HHHHHHH-
Query: 24 REALLEAQFELKQQARFPVIILINGIE------GAGK--GETVKLLNEWMDPRLIEVQSFLRPSDEELERPPQWRFWRRL 95
Sbjct: 46 QGCCSYHRTVLSRHFKEPAMASTSSFTEGASVFGGGSNIKTAVKNIFSLYNPDIIAVHTTC---LSETLGDDLPTYISQM 122
HHHHHHHHHHHHHH------EE------HHHH--HHHHHHHHHHHHHH----EEEEEE-HH HHHH---HHHHHHHHH
-----EEEEE---HHHHHHHHH-----HHHHHHHHHHHHHHHHHHHH-- -EEEEEEEE--H HHHHHHH
Query: 96 -----PPKGRTGIFFGNWYSQMLYARVEGHIKEAKLDQAIDAAERFERMLCDEG----ALLFKFWFHLSK---KQLKERL 163
Sbjct: 123 EDAGSIPEGKLVIHTNT----------PSYVG-SHVTGFANMVQGIVNYLSENTGAKNGKINVIPGFVGPADMREIKRLF 191
H--------EEEEE--- ----- HHHHHHHHHHHHHHHH----------EEEE-----HHHHHHHHHHHH
HHH-- ---------H HHHHHHHH HHHHHHHHHHHHHHH------EEEEE---H
Query: 164 KALEK--------------DPQHSWKLSP-----LDWKQSEV--------YDRFVHYGERVLRRTSRDYAPWYVVEGADE 216
Sbjct: 192 EAMDIPYIMFPDTSGVLDGPTTGEYKMYPEGGTKIEDLKDTGNSDLTLSLGSYASDLGAKTLEKKCK--VPFKTLRTP-- 267
HH---EEE-------------------------HHHHH------EEEEE-HHHHHHHHHHHHHH--- -EEEE----
HHHHHHHHHHHHHHHHHHHH----------------------------------HHHHHHHHHHHHHHHHHHHHH HHH-
Query: 217 RYRALTVGRILLEGLQAALATKERAKRQPHAAPLVSSLDNRGLLDSLDLGQYLDKDAYKEQLAAEQARLAGLIRD-KRFR 295
Sbjct: 268 --IGVSATDEFIMALSEATG-----KEVP------------------------------ASIEEERGQLIDLMIDAQQYL 310
HHHHHHHHHHHHHHHH-- ---H HHHHHHHHHHHHHHH-HHHH-
---EEEEE---------HHHHHHHH-----EEEEE------HHHHHHHHHHHHHHH-----EEEEE-------EEEEE--
Query: 296 QHSLVAVFEGNDAAGKGGAIRRVTDALDPRQYHIVPIAAPTEEERAQPYLWRFWRHIPARRQFTIFDRSWYGRVLVERIE 375
Sbjct: 311 QGKKVALLGDP---DEIIALSKFIIELGAIPKYVVTGTPG---MKFQKEIDAMLAEAGIEGSKVKVEG------------ 372
--EEEEEE-HH HHHHHHHHHH----EEEEEEE----H HHHHHHHHHHH-------EEEE---
----HHHHHHHHHHHHHHHHHHHH---EEEEEEEE--HHHHHHHHHHHH------- ---HHHHHHH
Query: 376 GFCAPADWLRAYGEINDFEEQLSEYGIIVVKFWLAIDKQTQMERFKEREKTPYKRY--------------KITEEDWRNR 441
Sbjct: 373 -------------DFFDVHQWIKNEGVDLLISNTYG------KFIAREENIPFVRFGFPIMDRYGHYYNPKVGYK--GAI 431
HHHHHHHHHH----EEEE----H HHHHHH---EEE-------------------HH HHH
HHHHHHHHHHHHHHHH----
Query: 442 DKWDQYVDAVGDMVDRTSTE 461
Sbjct: 432 RLVEEITNVILDKIERECTE 451
HHHHHHHHHHHHHHHH----
406 residues (81.85%) of query sequence aligned
--> hit 5 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]
secondary structure: 39.69% helical, 7.12% extended, 53.18% loops/other (query: 49.80% 12.50% 37.70%)
SCOP classification: [Alpha and beta proteins (a/b)]/[TIM beta/alpha-barrel]
name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str.
(%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp.
1D8W_A c.1.15.2 236.79.7.1 NONE -999.000 0 1 79.23% 11.92% OPTM -1130.007 -999.030 1.728 0.435 0.281 0.748 0.903 18.280 -62.2 -0.290 -25.000 10.5 0.640 13.500 -158.5 1.680 8.220 21.6 -0.160 -1.940 -59.1 3.500 19.440 77.5 -0.730 -0.010 -27.6 10.730 15.230 -14.8 7.490 10.380 -98.1 -30.000 47.000 -219.0 -30.000 9.000 -232.0 0.460 12.000 111.0 -0.160 -9.000 -55.0 2.050 25.000 -64.0 3.520 5.000 -191.0 5.000 0.3 -0.299 -12.3 23.000 560.0 5.000 0.3 -0.194 0.5 0.16 0.69
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHHHHHHHHHH HHHHHHHH----EEEEE---- ---- HHHHHHHHH- ----EEEEEE---
Query: 15 TYEKAVIELREALLE----AQFELKQQARFPVIILINGIE--------GAGK--GETVKLLNEW---MDPRLIEVQSFLR 77
Sbjct: 12 QLEQAWELAKQRFAAVGIDVEEALRQLDRLPVSHCWQGDDVSGFENYPGKARNASELRADLEQARLIPGPKRLNLHAIYL 91
HHHHHHHHHHHHHH----HHHHHHHH--------------------------HHHHHHHHHH--------EEEEE-----
--HHHHH---HHHHHHH------EEEEE---HHHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EEEEEEEE--HH
Query: 78 PSDEELERPPQWRFWRRLPPKGRTGIFFGNWYSQMLYARVEGHIKEAKLDQAIDAAERFERMLCDEGALLFKFWFHLSKK 157
Sbjct: 92 ESD---------------TPVS------------------RDQIKPEHFKNWVEWAKANQ--------LGLDFNPSCFSH 130
--- ---- --------HHHHHHHHH--- EEEEE-------
HHHHHHHHH-----------HHHHHHHHHHHHHHHHHHHHHHHH------EEEEE---HHHHHHHHHHHHHHHHHHHHH-
Query: 158 QLKERLKALEKDPQHSWKLSPLDWKQSEVYDRFVHYGERVLRRTSRDYAPWYVVEGADERYRALTVGRILLEGLQAALAT 237
Sbjct: 131 ------PLSADGFTLSHADDSIRQFWIDHCKASRRVSAYFGEQLGTPSVNIWIPDGKDITVDRLAPRQRLLAALDEVI-- 202
------------HHHHHHHHHHHHHHHHHHHHHHHHH-------------------HHHHHHHHHHHHHH--
---------------------------------HHHHHHHHHHHHHHHHHHHHHHHH----EEEEE---------HHHHH
Query: 238 KERAKRQPHAAPLVSSLDNRGLLDSLDLGQYLDKDAYKEQLAAEQARLAGLIRDKRFRQHSLVAVFEGNDAAGKGGAIRR 317
Sbjct: 203 SEKLNPAHHIDAVESKLFGIG-AESYTVGSNE---------------FYGYATSRQ----TALCLDAGHFHPTEV-ISDK 261
----------EEE-------- ---------- --HHHHH-- EEEEE---------H HHHH
HHH-----EEEEE----- -HHHHHHHHHHHHHHH-----EEEEE-------EEEEE------HHHHHHHHHH
Query: 318 VTDALDPRQYHIVPIAAP--------TEEERAQPYLWRFWRHIPARRQFTIFDRSWYGRVLVERIEGFCAPADWLRAYGE 389
Sbjct: 262 ISAALYVPQLLLHVSRPVRWDSDHVVLLDDETQAIASEIVRHDLFDRVHIGLDFFDA---------SINRIAAWVIGTRN 332
HH------EEEEE---------------HHHHHHHHHHHH------EEEEE------ --HHHHHHHHHH--
HHHHHHHHHH---EEEEEEEE--HHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHHHHHH-------EEEEE
Query: 390 INDFEEQLSEYGIIVVKFWLAIDKQTQMERFKEREKTPYKRYKITEEDWRNRDKWDQYVDAVGDMVDRTSTEIAPWTLVE 469
Sbjct: 333 KKALLRALLEP----------------TAELRKLEAPG----DYTARLALLEEQKSLPWQAVWEYCQRHDT--------P 384
HHHHHHH---H HHHHHHH---- HHHHHHHHHHH----HHHHH--------- -
----HHHHHHHHHHHHHH-----
Query: 470 ANDKRFARVKVLRTINDAIEAAY 492
Sbjct: 385 AGSE---WLESVRAYEKEILSRR 404
---H HHHHHHHHHH-----R
393 residues (79.23%) of query sequence aligned
DONE: Sun Aug 10 06:45:54 2008 EST