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:Tue Aug 12 08:05:31 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 T0427
--> 422 residues, sequence name: T0427
Database: T:\CBSU\blastdb\20080108\nr
-> 8 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 | 32 | 77 | 6 | 2 | 0 | 0 | 0 | 1 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 1.16 | 2.24 | 3.07 | 3.12 |
2 | 1.16 | 0.00 | 0.96 | 2.76 | 2.84 |
3 | 2.24 | 0.96 | 0.00 | 2.98 | 3.02 |
4 | 3.07 | 2.76 | 2.98 | 0.00 | 0.83 |
5 | 3.12 | 2.84 | 3.02 | 0.83 | 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 | 100.00 | 100.00 | 55.05 | 54.81 |
2 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |
3 | 100.00 | 100.00 | 100.00 | 100.00 | 99.52 |
4 | 55.05 | 100.00 | 100.00 | 100.00 | 100.00 |
5 | 54.81 | 100.00 | 99.52 | 100.00 | 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 | 100.00 | 100.00 | 100.00 | 100.00 |
2 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |
3 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |
4 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |
5 | 100.00 | 100.00 | 100.00 | 100.00 | 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: 42.28% helical, 18.05% extended, 39.67% loops/other (query: 46.45% 15.64% 37.91%)
SCOP classification: [Alpha and beta proteins (a+b)]/[LuxS/MPP-like metallohydrolase]
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.
1SQB_A d.185.1.1 50.23.23.23 NONE -111.149 0 1 96.92% 15.87% OPTM -1510.232 -649.440 7.133 0.464 0.832 0.927 0.940 86.630 -129.8 4.040 97.000 -151.0 4.980 77.000 -195.0 2.440 10.030 -67.4 1.030 7.090 -84.1 3.620 24.940 -34.1 3.040 10.520 -55.9 11.950 99.300 -133.8 19.060 55.430 -149.5 -30.000 188.000 -321.0 -30.000 143.000 -335.0 11.090 298.000 -257.0 26.630 255.000 -319.0 12.260 166.000 -271.0 21.050 132.000 -313.0 5.000 -38.7 0.325 -17.7 0.000 -9.3e+061 5.000 -38.7 0.322 -1.5 0.72 0.87
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
EEE-----EEEEEE--- -EEEEEEEEEE--------- HHHHHHHHHHH-------HHHHHHHHHH-------EEE---
Query: 2 SVQLVKGVNLHVIPTEK-YKTVRLLVRFNTRLNHETIT-KRTLLSSLMETNSLNYPNQVKLSERLAELYGASFGIGVSKK 79
Sbjct: 16 VSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGN-ALEKEVESM-GAHLNAYSTRE 93
EE-----EEEEEE----EEEEEEEE-------------HHHHHHHH-----------H HHHHHHH-- -EEEEEE----
---EEEEEEEEE--------HHHHHHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHH
Query: 80 GNQHWFNISMNIVNDHYLQDSQVLAEAVDFLKEIIFAPNIQAGQFEAETFQREKENLKAYLESIVEDKQTYASLALQSVY 159
Sbjct: 94 H----TAYYIKALSKD-------LPKAVELLADIVQNCSL-----EDSQIEKERDVILQELQENDTSMRDVVFNYLHATA 157
E EEEEEEE---H HHHHHHHHHHHH----- HHHHHHHHHHHHHHHHHHH--HHHHHHHHHHHHH-
H-------------HHHHHHH-HHHHHHHHHHH-----EEEEEE----HHHHHHHHHHH--- -----------------
Query: 160 FNQSEDQKIPSFGTVAALAEETAASLAAYYQKMLAEDQVDIFVLGDVNEAELVPLFKQLPFT-PREEGKAAIFYNQPIRN 238
Sbjct: 158 FQGT-PLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRF 236
---- --------HHHHHH--HHHHHHHHHHH-----EEEEEEE---HHHHHHHHHHH----------------------
---EEEE-- ----EEEEEEEE---- ---HHHHHHHHHHHHH---- HHHHHHHHHHH--- EEEEE----
Query: 239 VIEERTERE-VLAQSKLNLAYNTDIY-YGDSYYFALQVFNGIFGGFP---------HSKLFMNVREKEHL-AYYASSSID 306
Sbjct: 237 TGSQICHREDGLPLAHVAIAVEGPGWAHPD--NVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICY 314
-EEEE--------EEEEEEEEE-------H HHHHHHHHHH-EEE-----------HHHHHHHH-----EEEEEEEEE-
----EEEEEEE--HHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH------HH
Query: 307 TFRGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTMLTAE 386
Sbjct: 315 ADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLCTSAT-ESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLA 393
-EEEEEEEEEE----HHHHHHHHHHHHHHHHHH--H HHHHHHHHHHHHHHHHH---HHHHHHHHHHHHHH------HHH
HHHHHHHH--HHHHHHHHHHHH----EEEEE
Query: 387 EWIARINAVTIPEIQEVAKRLELQAIFFLEG 417
Sbjct: 394 EWESRIAEVDARVVREVCSKYFYDQCPAVAG 424
HHHHHH---HHHHHHHHHHH------EEEE-
409 residues (96.92%) 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: 47.40% helical, 21.35% extended, 31.25% loops/other (query: 46.45% 15.64% 37.91%)
SCOP classification: [Alpha and beta proteins (a+b)]/[LuxS/MPP-like metallohydrolase]
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.
d.185.1.1.6_A d.185.1.1 50.23.23.23 NONE -111.232 0 1 43.13% 18.13% OPTM -644.152 -385.240 0.957 0.582 0.625 0.825 0.962 24.490 -55.1 -0.330 -41.500 420.5 2.090 24.000 -107.0 -0.380 0.760 167.6 -0.870 -6.290 -38.4 -1.270 -6.270 248.0 2.000 9.220 -28.1 9.790 33.070 155.9 15.270 17.800 -75.5 -30.000 -2.000 27.0 -30.000 44.000 -162.0 -0.380 -2.000 406.0 14.250 104.000 -169.0 -2.570 1.000 360.0 4.700 21.000 -120.0 5.000 -16.4 -0.069 -22.1 -114.000 470.0 5.000 -16.4 -0.347 -1.9 0.25 0.87
alignment source: OPTM
------EEEE-- ----EEEEEEEE-------HHHHHHHHHHHHH---- HHHHHHHHHHH--- EEEEE--
Query: 236 IRNVIEERTERE-VLAQSKLNLAYNTDIYYGDSYYFALQVFNGIFGGFP---------HSKLFMNVREKEHL-AYYASSS 304
Sbjct: 234 CRFTGSQICHREDGLPLAHVAIAVEGPGW-AHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNI 312
------EEEEE------EEEEEEEEE--- ---HHHHHHHHHHHH-EEE-----------HHHHHHHHH----EEEEEEE
------EEEEEEE--HHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH------
Query: 305 IDTFRGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTMLT 384
Sbjct: 313 CYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLCTSAT-ESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIP 391
EE--EEEEEEEEEE----HHHHHHHHHHHHHHHHHH-- HHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHHH------
HHHHHHHHHH--HHHHHHHHHHHH----EEEEE
Query: 385 AEEWIARINAVTIPEIQEVAKRLELQAIFFLEG 417
Sbjct: 392 LAEWESRIAEVDARVVREVCSKYFYDQCPAVAG 424
--HHHHHHHH--HHHHHHHHHHHH-----EEEE
182 residues (43.13%) 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: 42.52% helical, 17.29% extended, 40.19% loops/other (query: 46.45% 15.64% 37.91%)
SCOP classification: [Alpha and beta proteins (a+b)]/[LuxS/MPP-like metallohydrolase]
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.
1BCC_A d.185.1.1 50.23.23.23 NONE -111.342 0 1 97.16% 15.83% OPTM -1472.068 -1084.640 6.992 0.463 0.879 0.931 0.943 81.580 -127.8 4.210 137.000 -176.5 6.040 98.500 -223.0 0.010 -1.120 -49.2 -0.850 0.600 -92.2 2.110 19.300 -19.8 1.040 7.760 -64.3 11.930 99.670 -131.9 19.720 53.260 -156.2 -30.000 184.000 -318.0 -30.000 131.000 -332.0 10.320 288.000 -247.0 22.100 251.000 -313.0 12.450 161.000 -284.0 21.040 149.000 -330.0 5.000 -41.7 0.165 -16.6 0.000 -9.3e+061 5.000 -41.7 0.322 -1.8 0.72 0.89
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
EEE-----EEEEEE--- -EEEEEEEEEE---------HHHHHHHHHHH-------HHHHHHHHHH-------EEE----
Query: 2 SVQLVKGVNLHVIPTEK-YKTVRLLVRFNTRLNHETITKRTLLSSLMETNSLNYPNQVKLSERLAELYGASFGIGVSKKG 80
Sbjct: 16 VSQLDNGVRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFLEHLAFKGTKNRPQNALEKEVESM-GAHLNAYSSREH 94
EE-----EEEEEE-----EEEEEEE-------------HHHHHHHHH--------HHHHHHHHH--- -EEEEEE----E
--EEEEEEEEE--------HHHHHHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH
Query: 81 NQHWFNISMNIVNDHYLQDSQVLAEAVDFLKEIIFAPNIQAGQFEAETFQREKENLKAYLESIVEDKQTYASLALQSVYF 160
Sbjct: 95 ----TAYYIKALSKD-------VPKAVELLADIVQNCSLE-----DSQIEKERDVIVRELQENDTSMREVVFNYLHATAF 158
EEEEEE----H HHHHHHHHHHHHH----H HHHHHHHHHHHHHHHHHH--HHHHHHHHHHHHH--
-------------HHHHHHH-HHHHHHHHHHH-----EEEEEE----HHHHHHHHHHH-- -------------------
Query: 161 NQSEDQKIPSFGTVAALAEETAASLAAYYQKMLAEDQVDIFVLGDVNEAELVPLFKQLPF-TPREEGKAAIFYNQPIRNV 239
Sbjct: 159 QGT-GLAQSVEGPSENIRKLSRADLTEYLSTHYTAPRMVLAAAGGVEHQQLLELAQKHFGGVPFTYDDDAVPTLSKCRFT 237
--- --------HHHHHH--HHHHHHHHHHH-----EEEEEEE---HHHHHHHHHHH-------HHHH------------
--EEEE-- ----EEEEEEEE-------HHHHHHHHHHHHH---- HHHHHHHHHHH--- EEEEE------
Query: 240 IEERTERE-VLAQSKLNLAYNTDIYYGDSYYFALQVFNGIFGGFP---------HSKLFMNVREKEHL-AYYASSSIDTF 308
Sbjct: 238 GSQIRHREDGLPLAHVAIAVEGPG-WAHPDLVALQVANAIIGHYDRTYGGGLHSSSPLASIAVTNKLCQSFQTFSICYSE 316
-EEEEE------EEEEEEEEE--- ------HHHHHHHHH-EEE-----------HHHHHHHH-----EEEEEEEE----
--EEEEEEE--HHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH------HHHH
Query: 309 RGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTMLTAEEW 388
Sbjct: 317 TGLFGFYFVCDRMSIDDMMFVLQGQWMRLCTS-ISESEVLRGKNFLRNALVSHLDGTTPVCEDIGRELLTYGRRIPLEEW 395
EEEEEEEEE----HHHHHHHHHHHHHHHHH-- -HHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHH-----HHHHH
HHHHHH--HHHHHHHHHHHH----EEEEE-
Query: 389 IARINAVTIPEIQEVAKRLELQAIFFLEGE 418
Sbjct: 396 EERLAEVDARMVREVCSKYIYDQCPAVAGP 425
HHHH---HHHHHHHHHHH-------EEEEE
410 residues (97.16%) 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: 42.04% helical, 19.00% extended, 38.95% loops/other (query: 46.45% 15.64% 37.91%)
SCOP classification: [Alpha and beta proteins (a+b)]/[LuxS/MPP-like metallohydrolase]
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.
1HR7_B d.185.1.1 50.23.23.23 NONE -111.371 0 1 98.82% 16.31% OPTM -1682.305 -1019.510 7.515 0.512 0.863 0.920 0.931 87.190 -128.7 5.660 140.000 -233.0 7.170 109.500 -277.0 0.170 -10.250 -56.3 1.930 3.930 -98.1 2.990 16.800 -29.1 6.770 28.900 -80.9 13.140 101.430 -136.9 22.290 62.930 -159.8 -30.000 183.000 -329.0 -30.000 138.000 -334.0 11.360 273.000 -250.0 28.070 252.000 -324.0 12.420 197.000 -298.0 16.620 130.000 -320.0 5.000 -51.1 -0.167 -13.9 0.000 -9.3e+061 5.000 -51.1 -0.149 -5.2 0.72 0.84
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
EEE-----EEEEEE---- EEEEEEEEEE---------HHHHHHHHHHH-------HHHHHHHHHH-------EEE---
Query: 2 SVQLVKGVNLHVIPTEKY--KTVRLLVRFNTRLNHETITKRTLLSSLMETNSLNYPNQVKLSERLAELYGASFGIGVSKK 79
Sbjct: 28 TSKLPNGLTIATEYIPNTSSATVGIFVDAGSRAENVKNNGTAHFLQHLAFKGTQNRPQQGIELEIENIGS-HLNAYTSRE 106
EE-----EEEEEE-----EEEEEEEEE------------HHHHHHHH---------HHHHHHHHHHH--E EEEEE---E
---EEEEEEEEE--------HHHHHHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHH
Query: 80 GNQHWFNISMNIVNDHYLQDSQVLAEAVDFLKEIIFAPNIQAGQFEAETFQREKENLKAYLESIVEDKQTYASLALQSVY 159
Sbjct: 107 ----NTVYYAKSLQED-------IPKAVDILSDILTKSVL-----DNSAIERERDVIIRESEEVDKMYDEVVFDHLHEIT 170
EEEEEEEE---H HHHHHHHHHHHH----- HHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH-
H-------------HHHHHHH-HHHHHHHHHHH-----EEEEEE----HHHHHHHHHHH--- -----------------
Query: 160 FNQSEDQKIPSFGTVAALAEETAASLAAYYQKMLAEDQVDIFVLGDVNEAELVPLFKQLPFT-PREEGKAAIFYNQPIRN 238
Sbjct: 171 YKD-QPLGRTILGPIKNIKSITRTDLKDYITKNYKGDRMVLAGAGAVDHEKLVQYAQKYFGHVPKSESPVPLGSPRGPLP 249
--- ---------HHHHHH--HHHHHHHHHHH-----EEEEEEE---HHHHHHHHHHHH---------------------
-- -EEEE------EEEEEEEE-------HHHHHHHHHHHHH---- HHHHHHHHHHH---E EEEE
Query: 239 VI---EERTEREVLAQSKLNLAYNTDIYYGDSYYFALQVFNGIFGGFP---------HSKLFMNVREKEHLA----YYAS 302
Sbjct: 250 VFCRGERFIKENTLPTTHIAIALEG-VSWSAPDYFVALATQAIVGNWDRAIGTGTNSPSPLAVAASQNGSLANSYMSFST 328
---EEEEE------EEEEEEEEE-- ------HHHHHHHHHHH-EEE-----------HHHHHHH-------EEEEEEEE
--------EEEEEEE--HHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH----
Query: 303 SSIDTFRGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTM 382
Sbjct: 329 SYADSGLWGMYIVTDSNEHNVRLIVNEILKEWKRIKSGKISDAEVNRAKAQLKAALLLSLDGSTAIVEDIGRQVVTTGKR 408
----EEEEEEEEEE-----HHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHH----
--HHHHHHHHHH--HHHHHHHHHHHH- ---EEEEE-
Query: 383 LTAEEWIARINAVTIPEIQEVAKRLEL-QAIFFLEGE 418
Sbjct: 409 LSPEEVFEQVDKITKDDIIMWANYRLQNKPVSMVALG 445
-HHHHHHHHH---HHHHHHHHHHH-----EEEEEE-G
417 residues (98.82%) 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: 41.22% helical, 19.20% extended, 39.58% loops/other (query: 46.45% 15.64% 37.91%)
SCOP classification: [Alpha and beta proteins (a+b)]/[LuxS/MPP-like metallohydrolase]
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.
1HR6_B d.185.1.1 50.23.23.23 NONE -111.433 0 1 99.53% 16.90% OPTM -1608.234 -890.710 7.077 0.494 0.898 0.894 0.933 88.690 -132.9 4.170 119.000 -192.5 7.000 105.000 -265.0 0.920 12.780 -58.3 0.210 3.170 -75.2 0.430 15.260 -9.7 3.850 9.330 -55.3 8.530 74.970 -104.3 22.780 63.470 -154.2 -30.000 166.000 -322.0 -30.000 133.000 -336.0 11.480 244.500 -235.5 18.920 233.000 -322.0 11.780 170.000 -301.0 16.340 132.000 -340.0 5.000 -51.0 -0.407 -13.8 32.000 640.0 5.000 -51.0 -0.125 -5.2 0.72 0.82
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
EEE-----EEEEEE---- EEEEEEEEEE---------HHHHHHHHHHH-------HHHHHHHHHH-------EEE---
Query: 2 SVQLVKGVNLHVIPTEKY--KTVRLLVRFNTRLNHETITKRTLLSSLMETNSLNYPNQVKLSERLAELYGASFGIGVSKK 79
Sbjct: 28 TSKLPNGLTIATEYIPNTSSATVGIFVDAGSRAENVKNNGTAHFLEHLAFKGTQNRPQQGIELEIENI-GSHLNAYTSRE 106
EE-----EEEEEE-----EEEEEEEEE------------HHHHHHHH---------HHHHHHHHHH-- -EEEEEE---E
---EEEEEEEEE--------HHHHHHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHH
Query: 80 GNQHWFNISMNIVNDHYLQDSQVLAEAVDFLKEIIFAPNIQAGQFEAETFQREKENLKAYLESIVEDKQTYASLALQSVY 159
Sbjct: 107 ----NTVYYAKSLQED-------IPKAVDILSDILTKSVL-----DNSAIERERDVIIRESEEVDKMYDEVVFDHLHEIT 170
EEEEEEEE---H HHHHHHHHHHHH----- HHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH-
H-------------HHHHHHH-HHHHHHHHHHH-----EEEEEE----HHHHHHHHHHH--- -----------------
Query: 160 FNQSEDQKIPSFGTVAALAEETAASLAAYYQKMLAEDQVDIFVLGDVNEAELVPLFKQLPFT-PREEGKAAIFYNQPIRN 238
Sbjct: 171 YKD-QPLGRTILGPIKNIKSITRTDLKDYITKNYKGDRMVLAGAGAVDHEKLVQYAQKYFGHVPKSESPVPLGSPRGPLP 249
--- ---------HHHHHH--HHHHHHHHHHH-----EEEEEEE---HHHHHHHHHHHH---------------------
-- -EEEE------EEEEEEEE-------HHHHHHHHHHHHH---- HHHHHHHHHHH---E EEEE
Query: 239 VI---EERTEREVLAQSKLNLAYNTDIYYGDSYYFALQVFNGIFGGFP---------HSKLFMNVREKEHLA----YYAS 302
Sbjct: 250 VFCRGERFIKENTLPTTHIAIALEG-VSWSAPDYFVALATQAIVGNWDRAIGTGTNSPSPLAVAASQNGSLANSYMSFST 328
---EEEEEE-----EEEEEEEEE-- ------HHHHHHHHHHH-EEE-----------HHHHHHH-------EEEEEEEE
--------EEEEEEE--HHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHH----
Query: 303 SSIDTFRGFMTVQTGIDGKNRNQVLRLISTELENIRLGKIRELEIEQTKAMLKNQYILALDNAGAWLEKEYLNELMPQTM 382
Sbjct: 329 SYADSGLWGMYIVTDSNEHNVRLIVNEILKEWKRIKSGKISDAEVNRAKAQLKAALLLSLDGSTAIVEDIGRQVVTTGKR 408
----EEEEEEEEEE-----HHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHH----
--HHHHHHHHHH--HHHHHHHHHHHH--- -EEEEE----
Query: 383 LTAEEWIARINAVTIPEIQEVAKRLELQA--IFFLEGETEN 421
Sbjct: 409 LSPEEVFEQVDKITKDDIIMWANYRLQNKPVSMVALGNTST 449
-HHHHHHHHH---HHHHHHHHHHH-----EEEEEEE-----
420 residues (99.53%) of query sequence aligned
DONE: Tue Aug 12 18:12:24 2008 EST