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 16 04:07:57 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 T0438
--> 439 residues, sequence name: T0438
Database: T:\CBSU\blastdb\20080108\nr
-> 119 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 | 13 | 74 | 113 | 6 | 0 | 0 | 0 | 1 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 4.15 | 4.92 | 6.24 | 6.56 |
2 | 4.15 | 0.00 | 4.17 | 7.48 | 6.62 |
3 | 4.92 | 4.17 | 0.00 | 7.65 | 7.11 |
4 | 6.24 | 7.48 | 7.65 | 0.00 | 4.64 |
5 | 6.56 | 6.62 | 7.11 | 4.64 | 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 | 43.40 | 40.19 | 24.51 | 16.98 |
2 | 43.40 | 100.00 | 47.43 | 19.47 | 17.21 |
3 | 40.19 | 47.43 | 100.00 | 19.47 | 19.63 |
4 | 24.51 | 19.47 | 19.47 | 100.00 | 50.48 |
5 | 16.98 | 17.21 | 19.63 | 50.48 | 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 | 99.51 | 97.88 |
2 | 100.00 | 100.00 | 100.00 | 56.73 | 98.14 |
3 | 100.00 | 100.00 | 100.00 | 57.21 | 96.26 |
4 | 99.51 | 56.73 | 57.21 | 100.00 | 100.00 |
5 | 97.88 | 98.14 | 96.26 | 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: 25.30% helical, 17.90% extended, 56.80% loops/other (query: 34.17% 21.64% 44.19%)
SCOP classification:
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.
2OAS_A not_found 81.81.81.81 NONE -116.081 0 1 94.99% 40.57% OPTM -1824.406 -1595.950 18.154 0.666 0.838 0.982 0.991 126.670 -159.9 37.610 1071.500 -1105.5 66.020 1044.000 -1160.5 2.260 28.280 -53.3 4.130 13.860 -86.8 19.420 142.850 -113.5 31.060 128.660 -162.6 27.770 134.580 -198.7 41.830 139.330 -229.8 -30.000 85.000 -312.0 -30.000 88.000 -319.0 53.220 1411.000 -1306.0 156.310 1285.000 -1356.0 18.150 195.000 -397.0 23.840 189.000 -420.0 5.000 -1.0 -2.239 -9.2 0.000 -9.3e+061 5.000 -1.0 -0.125 -83.7 0.15 0.75
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---HHHHHHHH-----EEEE------HHHHHHHHHHHHH-----EEEEEEE----HH--HHHHHH-E--EE----HHHHH
Query: 11 VCSADEAVVDSLKPGTKVVFGHAAAAPVRFSQAMYRQREKLENITVFHMLYFGDAPHLAPEMRSHVHPTLNFLEGNSRPA 90
Sbjct: 5 VCQSALEAVSLIRSGETLWTHSGA-TPKVLLDALAKHALTLDNITLLQLHTEGAESLSHPSLLGHLRHRCFFGGVPTRPL 83
---HHHHH-------EEEE----- -HHHHHHHHHH------EEEEE-----------------EEEEE-------HHHH
HH---EEE--HHHHHHHHHHHH----EEEEEEEE--------EE------HHHHHHHH--EEEEEE------------E-
Query: 91 SRDRRVDFIPCHFHEVPELFRQGFFPLDVAVVQVSTPNEEGYCSFGVSCDYTKAAAECAPVVVAEVNKQMPFIGGENLIH 170
Sbjct: 84 LQSGDADYVPIFLSEVPKLFRSGEQKIDTAIIQVSPPDKHG-CSLGISVEATLAACQVAGKIIAHINPQ-PRTHGDGFIH 161
H----EE-------HHHHHH-------EEEEEE-------- --------HHHHHHH--EEEEEE---- ----------
---EEEEEEE-------------HHHHHHHHHHHHHH----EEE-----HHHHHHHHH-------EEEHHHH-HHHHHHH
Query: 171 ISKLTHIIEVDEPIAEVLPPAGSDLELRIGQNCASLIKDGDTLQLGIGGIPDAVLRALEGHKDLGIHTEMFTDGVMRMIR 250
Sbjct: 162 IDRFAAVYEQSASLPIHSFATGDAVSLAIGQHVAELVRDGDCLQ-GIGAIPDAVLSCLTGHKDLGVHTELFSDGILQLVE 240
----EEEE--------------HHHHHHHHHHHHH-----EE-- --HHHHHHHH--------EE---EE-HHHHHHHH-
---------------EEE-----HHHHHHHH-----EEE--------HHHHHH---EEEEE-HHHEEH---EEEE-----
Query: 251 KGIINGKKKTLHPEKVVTSLIFGSKELYDFVNNNPVIECYPVDYINNPDVIGKNDRMVSINSCLEMDLMGQAASESIGYE 330
Sbjct: 241 KGVINNTKKRFYPGKLVTGFALGSQKLYDYVDDNPAV-IFDIEQVNDTSIIRKNPN-VAINSALQVDLTGQVCADSIGTK 318
--------------EE--EE---HHHHHHH-----EE --HHHH--HHHH------ -EE---EEE----EE--EE--EE
EE-----HHHHHHHHHH-----EEEEEE---------EEEEEE----EEEE----EEEEEEEEEEEEE----HHHHHHHH
Query: 331 QFSGSGGQVDFLRGAKRSKGGISIMAFPSTAKKGTESRIVPILKEGACVTTGRNEVDYVVTEYGVARLRGATLRQRAEAL 410
Sbjct: 319 IYSGVGGQ-DFIRGAGLSEGGRSVIALPSTAAGGRISRIASVLSPGAGVVTTRAHVHYIVTEYGAANLKGRSLRERAQAL 397
-------- HHHHHHH------EEE---EE----EE-EE--------EEE------EEEE--EEEE-----HHHHHHHHH
HHH----HHHHHHHHHHHHHH---
Query: 411 TAIAHPDFRPALEEEIRRRFELEH 434
Sbjct: 398 INIAHPDFREQLSRDAFEVWGLNL 421
----HHHHHHHHHHHHH------L
417 residues (94.99%) 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: 27.33% helical, 15.40% extended, 57.27% loops/other (query: 34.17% 21.64% 44.19%)
SCOP classification:
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.
2NVV_A not_found 81.81.81.81 NONE -116.950 0 1 97.95% 23.26% OPTM -1271.966 -1225.340 10.238 0.543 0.680 0.823 0.925 73.320 -108.4 9.260 257.000 -296.0 16.970 270.000 -420.0 1.320 6.100 -9.1 -0.080 0.900 -77.1 1.060 11.900 54.0 0.530 4.420 -44.9 7.460 36.820 -58.8 11.130 17.740 -107.5 -30.000 50.000 -250.0 -30.000 51.000 -270.0 36.080 980.000 -852.0 111.910 920.000 -969.0 5.560 44.000 -267.0 8.880 69.000 -309.0 5.000 -88.7 -0.541 -11.2 0.000 -9.3e+061 5.000 -88.7 0.633 -19.7 0.14 0.74
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
H---HHHHHHHH-----EEEE------ HHHHHHHHHHHHH-----EEEEEEE----HH--HHHHHH-E--EE--
Query: 10 RVCSADEAVVDSLKPGTKVVFGHAAAA------PVRFSQAMYRQREKLENITVFHMLYFGDAPHLAPEMRSHVHPTLNFL 83
Sbjct: 4 RFITAEEAAEF-VHHNDNVGFSGFTPAGNPKVVPAAIAKRAIAAHEKGNPFKIGFTGASTGARLDGVLAQADAVKFRTPY 82
---HHHHH--- -----EEE-----------HHHHHHHHHHHHH-------------------HHHHHH-----EE----
-- HHHHHHH---EEE--HHHHHHHHHHHH--- -EEEEEEEE--------EE------HHHHHHHH--EEEEEE----
Query: 84 EG--NSRPASRDRRVDFIPCHFHEVPELFRQGFF-PLDVAVVQVSTPNEEGYCSFGVSCDYTKAAAECAPVVVAEVNKQM 160
Sbjct: 83 QSNKDLRNLINNGSTSYFDLHLSTLAQDLRYGFYGKVDVAIIEVADVTEDGKILPTTGVGILPTICRLADRIIVELNDKH 162
--HHHHHHHH----EE-------HHHHHH--------EEEEEE-EE----EEE-------HHHHHHH--EEEEEEE----
- --- ----E--- -EEEEEEE-------------HHHHHHHHHHHHHH-
Query: 161 P-FIG------------------------GENLIHIS--KLTHIIEVDEPIAEVLPPAGSDLELRIGQNCASLIK----- 208
Sbjct: 163 PKEIGHDLCEPLDPPARRELPVYTPSDRIGKPYVQVDPAKIVGVVRTSEPNDESDFAPLDPVTQAIGDNVAAFLVSEKAG 242
--------------------------------EE-----EEEEEEE-------------HHHHHHHHHHHHHHHH-----
---EEE-----HHHHHHHHH------- EEEHHHH-HHHHHHH---------------EEE-----HHHHHHHH--
Query: 209 ----DGDTLQLGIGGIPDAVLRALEGHKDLG-IHTEMFTDGVMRMIRKGIINGKKKTLHPEKVVTSLIFGSKELYDFVNN 283
Sbjct: 243 RIPKDFLPLQSGVGNVANAVLGALGDNPDIPAFNYTEVIQDAVIALKKGRIKF--------ASGCSLSVSRSVIQDIYAN 314
-------EEE---HHHHHHHHHHHH-----------EE-HHHHH--------E EE-EE---HHHHHHHH--H
---EEE--------HHHHHH---EEEEE-HHHEEH---EEEE-----EE-----HHHHHHHHHH-----EEEEEE-
Query: 284 ----NPVIECYPVDYINNPDVIGKNDRMVSINSCLEMDLMGQAASESIGYEQFSGSGGQVDFLRGAKRSKGGISIMAFPS 359
Sbjct: 315 LDFFKDKILLRPQEYSNNPEIVRRLG-VITINTALEADIFGNINSTHVSGTR-NGIGGSGDFTRNS-----YVSIFTTPS 387
HHH---EEE--HHHH--HHHHHHH-- EEEEE--EEE----EE--------- ----HHHHHHH-- -EEEE----
--------EEEEEE----EEEE----EEEEEEEEEEEEE----HHHHHHHHHHH- ---HHHHHHHHHHHHHH-------
Query: 360 TAKKGTESRIVPILKEGACVTTGRNEVDYVVTEYGVARLRGATLRQRAEALTAIA-HPDFRPALEEEIRRRFELEHHHHH 438
Sbjct: 388 V-KDGKISSFVPVAHHD----HSEHSVKVIISEWGVADLRGKNPRERAHEIIDKCVHPDYRPLLRQYLE--LGVKGQTPQ 460
- ------EE------- ------EEEE--EEEE-----HHHHHHHHHHH------HHHHHHH--- ---------
-
Query: 439 H 439
Sbjct: 461 N 461
-
430 residues (97.95%) 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: 26.35% helical, 15.33% extended, 58.32% loops/other (query: 34.17% 21.64% 44.19%)
SCOP classification: [Alpha and beta proteins (a/b)]/[NagB/RpiA/CoA transferase-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.
2G39_A c.124.1.2 157.14.14.7 NONE -117.328 0 1 97.49% 24.07% OPTM -1101.441 -1145.400 9.531 0.478 0.615 0.809 0.907 67.720 -97.5 9.030 323.000 -300.5 13.580 224.000 -367.5 0.560 8.920 -1.8 1.600 7.150 -85.3 0.800 12.780 56.3 3.040 14.850 -51.4 5.320 21.450 -43.7 10.020 27.420 -114.3 -30.000 59.000 -250.0 -30.000 63.000 -269.0 34.530 952.000 -797.0 110.910 838.000 -886.0 5.560 14.000 -251.0 6.890 44.000 -300.0 5.000 -97.4 0.234 -10.5 0.000 -9.3e+061 5.000 -97.7 -0.420 -18.0 0.12 0.72
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
--HHHHHHHH-----E EEE------HHHHHHHHHHHHH-----EEEEEEE----HH--HHHHHH -E--EE---- HHH
Query: 12 CSADEAVVDSLKPGTK-VVFGHAAAAPVRFSQAMYRQREKLENITVFHMLYFGDAPHLAPEMRSH-VHPTLNFLEG-NSR 88
Sbjct: 15 VSAAEAADL-IQDGTVGSGFTRAGEAK-AVPQALARAKERPLRISLTGASLGND---LDKQLTEAGVLARRPFQVDSTLR 89
-HHHHH--- ----------------H HHHHH---------EE---------H HHHHHH---EEE------HHHHH
HHHH---EEE--HHHHHHHHHHHH----EEEEEEEE--------EE------HHHHHHHH--EEEEEE--
Query: 89 PASRDRRVDFIPCHFHEVPELFRQGFFPLDVAVVQVSTPNEEGYCSFGVSCDYTKAAAECAPVVVAEVNK---------- 158
Sbjct: 90 KAINAGEVFIDQHLSETVEQLRNHQLKLPDIAVIEAAAITEQGHIVPTTSVGNSASFAIFAKQVIVEINLAHSTNLEGLH 169
HHH------------HHHHHH--------EEEEEE-EE-----EE-------HHHHHHH--EEEEEEE------------
------ ----E--- -EEEEEEE-------------HHHHHHHHHHHHHH- --
Query: 159 ------------QMPFIG-----GENLIHIS--KLTHIIEVDEPIAEVLPPAGSDLELRIGQNCASLIK---------DG 210
Sbjct: 170 DIYIPTYRPTRTPIPLTRVDDRIGSTAIPIPPEKIVAIVINDQPDSPSTVLPPDGETQAIANHLIDFFKREVDAGRSNSL 249
---------------------------------EEEEEEE-------------HHHHHHHHHHHHHHHHHHH--------
-EEE-----HHHHHHHHH----- --EEEHHHH-HHHHHHH---------------EEE-----HHHHHHHH---
Query: 211 DTLQLGIGGIPDAVLRALEGHKD----LGIHTEMFTDGVMRMIRKGIINGKKKTLHPEKVVTSLIFGSKELYDFVNNN-- 284
Sbjct: 250 GPLQAGIGSIANAVCGLIESPFENLTYSEVLQD----STFDLIDAGKLRF--------ASGSSITLSPRRNADVFGNLER 317
-EEE---HHHHH----------------EE-HH HHHHHH------E EE-EE---HHHHHHHHH-----
--EEE--------HHHHHH---EEEEE-HHHEEH---EEEE-----EE-----HHHHHHHHHH-----EEEEEE----
Query: 285 --PVIECYPVDYINNPDVIGKNDRMVSINSCLEMDLMGQAASESIGYEQFSGSGGQVDFLRGAKRSKGGISIMAFPSTAK 362
Sbjct: 318 YKDKLVLRPQEISNHPEVVRRLG-IIGINTALEFDIYGNVNSTHVGGTK-NGIGGSGDFARNA-----HLAIFVTKSIAK 390
---EEE--HHHH--HHHHHHH-- EEEEE--EEE----EE--------- ----HHHHHHH-- EEEEE---EE--
-----EEEEEE----EEEE----EEEEEEEEEEEEE----HHHHHHHHHHH- ---HHHHHHHHHHHHHH--------
Query: 363 KGTESRIVPILKEGACVTTGRNEVDYVVTEYGVARLRGATLRQRAEALTAIA-HPDFRPALEEEIRRRFELEHHHHHH 439
Sbjct: 391 GGNISSVVPVSHVD----HTEHDVDILVTEQGLADLRGLAPRERARVIIENCVHPSYQAPLLDYFEAACAKGGHTPHL 464
--EE-EE------- ------EEEE--EEEE-----HHHHHHHHHHH------HHHHHHHHHHHHH---------
428 residues (97.49%) 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: 21.68% helical, 17.26% extended, 61.05% loops/other (query: 34.17% 21.64% 44.19%)
SCOP classification:
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.
2HJ0_A not_found 81.81.81.81 NONE -117.688 0 1 94.76% 18.99% OPTM -927.445 -987.270 3.489 0.507 0.591 0.844 0.891 43.830 -74.8 1.870 -31.000 -103.0 2.130 -16.000 -171.5 1.170 2.260 -60.2 1.540 2.930 -84.1 1.420 1.890 -9.9 0.790 2.470 -43.0 2.700 14.500 -69.6 10.560 20.450 -110.0 -30.000 53.000 -226.0 -30.000 59.000 -260.0 6.210 71.000 -39.0 13.970 116.000 -175.0 3.060 12.000 -214.0 9.070 68.000 -286.0 5.000 -14.4 -0.990 -10.1 0.000 -9.3e+061 5.000 -14.4 0.591 -3.2 0.15 0.66
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----EEEE--- ---HHHHHHHHHHHHH-----EEEEEEE----HH--HHHHHH-E--EE- ---HHHHHHH- -
Query: 23 KPGTKVVFGHA---AAAPVRFSQAMYRQREKLENITVFHMLYFGDAPHLAPEMRSHVHPTLNF--LEGNSRPASRD---R 94
Sbjct: 61 KDGTISFHHHFREGDYVNV-----LDEIAKGIKDISIAPSSIANVHEPLIDHIKNGVVTNITSSGLRDKVGAAISEGIEN 135
---EEE------------H HHHH-----EEEEE---------HHHHHH---EEEEEE---HHHHHHHHH------
-EEE--HHHHHHHHHHHH----EEEEEEEE--------EE-- --- -HHHHHHHH--EEEEEE------------E
Query: 95 RVDFIPCHFHEVPELFRQGFFPLDVAVVQVSTPNEEGYCSFG---VSC--DYTKAAAECAPVVVAEVNKQMPFIGGENLI 169
Sbjct: 136 PVIIRS--HGGRARAIATDDIHIDVAFLGAPSSDAYGNANGTRGKTTCGSLGYAIDAKYADQVVIVTDTLVPYPNTPISI 213
EEE--H HHHHHHHHH------EEEEEE-EE-----EE---------------HHHH--EEEEEE--------------
----EEEEEEE----- --------HHHHHHHHHHHHHH- ---EEE-----HHHHHHHHH-----
Query: 170 HISKLTHIIEVDEPIA------EVLPPAGSDLELRIGQNCASLIK------DGDTLQLGIGGIPDAVLRALEGHKD---- 233
Sbjct: 214 PQTDVDYIVVVDAIGDPEGIAKGATRYTKNPKELLIAEYAAKVITSSPYYKEGFSFQTGTGGASLAVTRFREQIKDDIKA 293
-----EEEE-------HHHH---------HHHHHHHHHHHHHHH---------EEE----HHHHH-------------EE
--EEEHHHH-HHHHHHH---------------EEE-----HHHHHHHH-----EEE-------- HHHHHH---E
Query: 234 ---LGIHTEMFTDGVMRMIRKGIINGKKKTLHPEKVVTSLIFGSKELYDFVNNNPVIECYPVDYINN---PDVIGKNDRM 307
Sbjct: 294 NFALGGITNAV-----ELLEEGLV---------DKILDVQDFDHPSAVSLDRNAEKHYEIDANYASPLSKGSVINQLD-- 357
EE--EE----H HHH---EE EEEE-EE--HHHHHHHHH----EEE-------------------E
EEEE-HHHEEH---EEEE-----EE-----HHHHHHHHHH-----EEEEEE---------EEEEEE----EEEE----EE
Query: 308 VSINSCLEMDLMGQAASESIGYEQFSGSGGQVDFLRGAKRSKGGISIMAFPSTAKKGTESRIVPILKEGACVTTGRNEVD 387
Sbjct: 358 ICVLSALEVDTNFNVNVTGSDGVIRGASGGHCDTAFAAK------SLVISPLVRGR-----IPTFVDKVNTVITPGTSVD 426
EEE---EE-----EE--------------HHHHHHH--- EEE---EE--E E-----------------E
EEEEEEEEEEE----HHHHHHHHHHH----H HHHHHHHHHHHHH-------
Query: 388 YVVTEYGVARLRGATLRQRAEALTAIAHPDF-RPALEEEIRRRFELEHHHHH 438
Sbjct: 427 VVVTEVGIAINPNR--PDLIEYFKDLKVPQLTIEELKEKAYAIVGNPQPIQY 476
EE----EEE----H HHHHH-------EE-HHHHHHHHHHHH-------EE
416 residues (94.76%) 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: 25.16% helical, 17.76% extended, 57.08% loops/other (query: 34.17% 21.64% 44.19%)
SCOP classification: [Alpha and beta proteins (a/b)]/[NagB/RpiA/CoA transferase-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.
1XR4_A c.124.1.2 157.14.14.7 NONE -117.945 0 1 100.00% 22.10% OPTM -1123.030 -1113.540 6.128 0.471 0.553 0.797 0.894 52.730 -88.7 5.650 161.000 -190.5 8.390 178.000 -306.0 0.440 6.360 -6.7 3.550 15.240 -82.2 1.090 10.900 50.1 2.950 11.410 -46.3 5.850 21.240 -37.7 13.220 30.800 -119.3 -30.000 38.000 -230.0 -30.000 52.000 -276.0 16.070 457.500 -338.5 50.410 397.000 -448.0 5.410 49.000 -213.0 6.460 62.000 -288.0 5.000 -21.4 -0.762 -9.8 -9.000 622.0 5.000 -21.4 0.643 -7.2 0.67 0.74
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
--- HHHHHHH-- -HHHHHHHH -----EEEE----- -HHHHHHHHHHHHH-----EEEEEEE----H
Query: 1 MQW----QELYRQRVC-SADEAVVDS-LKPGTKVVFGHAAA--------APVRFSQAMYRQREKLENITVFHMLYFGDAP 66
Sbjct: 29 SPWLASETEKRRRKICDSLEEAIRRSGLKNGT-ISFHHAFRGGDKVVNVAKL---------AEGFRDLTLASSSLIDAHW 98
-------HHHH--EE--HHHHHHH-------E EE----------------- -----EEEEE---------
H--HHHHHH-E--EE- --- HHHHHHH--- EEE--HHHHHHHHHHHH----EEEEEEEE--------EE--
Query: 67 HLAPEMRSHVHPTLNF--LEG-NSRPASRDRR--VDFIPCHFHEVPELFRQGFFPLDVAVVQVSTPNEEGYCSFG----- 136
Sbjct: 99 PLIEHIKNGVVRQIYTSGLRGKLGEEISAGLENPVQIHS--HGGRVKLIQSGELNIDVAFLGVPCCDEFGNANGFSGKSR 176
HHHHHH---EEEEEE----HHHHHHHHH-----EEE--H HHHHHHHH-------EEEEEE-EEE----EE--------
----HHHHHHHH--EEEEEE------------E----EEEEEEE---- ---------HHHHHHHHHHHHHH-
Query: 137 -VSCDYTKAAAECAPVVVAEVNKQMPFIGGENLIHISKLTHIIEVDEPI------AEVLPPAGSDLELRIGQNCASLIK- 208
Sbjct: 177 CGSLGYAQVDAQYAKCVVLLTEEWVEFPNYPASIAQDQVDLIVQVDEVGDPEKITAGAIRLSSNPRELLIARQAANVIEH 256
-----HHHHHHH--EEEEEE--EE---------------EEEE------HHHHH---------HHHHHHHHHHHHHHH--
---EEE-----HHHHHHHHH----- --EEEHHHH-HHHHHHH---------------EEE-----HHHH
Query: 209 -----DGDTLQLGIGGIPDAVLRALEGHKD------LGIHTEMFTDGVMRMIRKGIINGKKKTLHPEKVVTSLIFGSKEL 277
Sbjct: 257 SGYFCDGFSLQTGTGGASLAVTRFLEDKRRHNITASFGLGGITGT---VDLHEKGLIKA---------LLDTQSFDGDAA 324
------EEE-----HHHHHHHHHHHH-------EEEEEEEE---- HHHH------E EEEEE--HHHHH
HHHH-----EEE--------HHHHHH---EEEEE-HHHEEH---EEEE-----EE-----HHHHHHHHHH-----EEEEE
Query: 278 YDFVNNNPVIECYPVDYINNPDVIGKNDRMVSINSCLEMDLMGQAASESIGYEQFSGSGGQVDFLRGAKRSKGGISIMAF 357
Sbjct: 325 RSLAQNPHHIEISTNQYANPASKGAACERLNVVLSALEIDVNFNVNVTGSNGVLRGASGGHSDTAAGAD-------LTII 397
HHHH---EEE--HHHH--------------------EE-----EE--------------HHHHHHH--- -EEE
E---------EEEEEE---- EEEE----EEEEEEEEEEEEE----HHHHHHHHHHH----HHHHHHHHHHHHHH-----
Query: 358 PSTAKKGTESRIVPILKEGA-CVTTGRNEVDYVVTEYGVARLRGATLRQRAEALTAIAHPDFRPALEEEIRRRFELEHHH 436
Sbjct: 398 TAPLVRGR----IPCVVEKVLTTVTPGASVDVLVTDHGIAVNPAR--QDLLDNLRAAGVALTIEQLQQRAEQLTGKPQPI 471
---EE--E E-----------------EEEE--EEEE----H HHHHHHHH------HHHHHHHHHHHH-------
---
Query: 437 HHH 439
Sbjct: 472 EFT 474
EEE
439 residues (100.00%) of query sequence aligned
DONE: Sat Aug 16 13:50:31 2008 EST