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 02:14:40 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 T0458
--> 107 residues, sequence name: T0458
Database: T:\CBSU\blastdb\20080108\nr
-> 82 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 | 1 | 5 | 30 | 48 | 3 | 1 | 0 | 1 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 0.60 | 0.63 | 0.77 | 0.54 |
2 | 0.60 | 0.00 | 0.59 | 0.73 | 0.50 |
3 | 0.63 | 0.59 | 0.00 | 0.69 | 0.54 |
4 | 0.77 | 0.73 | 0.69 | 0.00 | 0.67 |
5 | 0.54 | 0.50 | 0.54 | 0.67 | 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 | 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 |
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: 35.06% helical, 31.17% extended, 33.77% loops/other (query: 25.23% 20.56% 54.21%)
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.
2OJL_A not_found 111.111.111.19 LOW -24.515 0 1 72.90% 55.13% OPTM -485.852 -295.710 5.467 0.944 0.951 0.977 0.977 25.640 -40.5 14.010 241.500 -217.0 25.240 263.500 -306.5 2.640 10.360 7.7 6.360 9.450 -29.8 11.880 39.640 -7.3 29.930 45.100 -58.0 12.980 26.700 -12.7 25.690 30.520 -57.8 -30.000 5.000 -32.0 -30.000 6.000 -61.0 18.820 299.000 -243.0 47.250 319.000 -350.0 -0.740 7.000 24.0 5.930 19.000 -54.0 5.000 -37.5 -7.757 -38.6 0.000 -9.3e+061 5.000 -42.5 0.940 -14.5 0.05 0.59
alignment source: OPTM
---EEEEEE-------HHHHHHHHHHHHH--HHH--EEEE-----EEEEEE--EEEEEE---- ---HHHHHHHHHHH-
Query: 11 HTHRVQIEYCTQCRWLPRAAWLAQELLTTFETELTELALKPGTGGVFVVRVDDEVVWDRREQG-FPEPTAVKRLVRDRV 88
Sbjct: 7 HPPRIAIQYCTQCQWLLRAAW-AQELLSTFGADLGEVALVPGTGGVFRIHYNGAPLWDREVDGGFPEAKVLKQRVRDHL 84
---EEEEEEE-----HHHHH- -HHHHHHH-----EEEEEEE----EEEEE--EEEEEHHHH-----HHHHHHHHHHH-
78 residues (72.90%) 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: 36.14% helical, 28.92% extended, 34.94% loops/other (query: 25.23% 20.56% 54.21%)
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.
2OKA_A not_found 111.111.111.19 LOW -24.550 0 1 77.57% 53.01% OPTM -497.976 -400.340 6.390 0.902 0.945 0.977 0.989 31.580 -46.2 16.790 280.500 -254.0 29.850 281.500 -324.5 4.760 11.290 -4.6 4.900 8.130 -28.9 19.890 57.520 -34.0 27.610 49.580 -65.3 20.590 34.930 -38.3 28.470 36.100 -65.5 -30.000 4.000 -44.0 -30.000 6.000 -68.0 24.140 358.000 -291.0 52.260 333.000 -366.0 1.300 18.000 1.0 9.070 26.000 -65.0 5.000 -41.7 -14.156 -34.3 0.000 -9.3e+061 5.000 -41.7 0.041 -14.5 0.02 0.61
alignment source: OPTM
---EEEEEE-------HHHHHHHHHHHHH--HHH--EEEE-----EEEEEE--EEEEEE--- ----HHHHHHHHHHH--
Query: 11 HTHRVQIEYCTQCRWLPRAAWLAQELLTTFETELTELALKPGTGGVFVVRVDDEVVWDRREQ-GFPEPTAVKRLVRDRVA 89
Sbjct: 4 AKPEIVITYCTQCQWLLRAAWLAQELLSTFADDLGKVCLEPGTGGVFRITCDGVQVWERKADGGFPEAKALKQRVRDRID 83
---EEEEEEE-----HHHHHHHHHHHHHH------EEEEEEE----EEEEE--EEEEEHHHH-----HHHHHHHHHHHH-
----
Query: 90 PEKS 93
Sbjct: 84 PQRD 87
----
83 residues (77.57%) 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: 36.14% helical, 28.92% extended, 34.94% loops/other (query: 25.23% 20.56% 54.21%)
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.
2OBK_A not_found 111.111.111.19 LOW -24.810 0 1 77.57% 49.40% OPTM -494.606 -398.650 5.854 0.898 0.964 0.978 0.990 29.250 -44.7 14.400 263.500 -228.0 29.770 255.500 -306.0 -0.200 4.630 15.6 5.680 8.800 -30.8 -0.380 4.100 32.9 29.260 48.240 -64.7 1.600 6.780 13.4 28.920 35.890 -65.3 -30.000 4.000 -44.0 -30.000 6.000 -68.0 21.140 360.000 -284.0 53.880 329.000 -362.0 1.610 14.000 -3.0 7.320 29.000 -65.0 5.000 -42.5 -11.752 -32.1 0.000 -9.3e+061 5.000 -47.3 0.230 -16.5 0.02 0.61
alignment source: OPTM
---EEEEEE-------HHHHHHHHHHHHH--HHH--EEEE-----EEEEEE--EEEEEE--- ----HHHHHHHHHHH--
Query: 11 HTHRVQIEYCTQCRWLPRAAWLAQELLTTFETELTELALKPGTGGVFVVRVDDEVVWDRREQ-GFPEPTAVKRLVRDRVA 89
Sbjct: 4 RKPEVIITYCTQCQWLLRAAWLAQELLSTFSDDLGKVSLEPATGGAFRITCDGVQIWERKADGGFPEAKVLKQRVRDQID 83
---EEEEEEE-----HHHHHHHHHHHHHH------EEEEEEE----EEEEE--EEEEEHHHH-----HHHHHHHHHHHH-
----
Query: 90 PEKS 93
Sbjct: 84 PERD 87
----
83 residues (77.57%) 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: 32.89% helical, 35.53% extended, 31.58% loops/other (query: 25.23% 20.56% 54.21%)
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.
2P0G_A not_found 111.111.111.19 LOW -24.873 0 1 71.96% 45.45% OPTM -529.730 -282.530 5.166 0.881 0.937 0.974 0.974 22.240 -37.8 10.160 174.500 -133.0 22.110 219.000 -263.0 0.860 0.910 18.7 4.530 6.930 -26.4 0.380 -3.140 38.0 20.910 38.700 -53.0 0.360 0.490 26.2 23.710 27.320 -54.4 -30.000 3.000 -30.0 -30.000 4.000 -58.0 16.590 281.000 -209.0 57.580 317.000 -349.0 -0.820 4.000 23.0 8.030 25.000 -61.0 5.000 -35.3 -7.401 -38.7 0.000 -9.3e+061 5.000 -42.5 -0.108 -14.0 -0.05 0.55
alignment source: OPTM
--EEEEEE-------HHHHHHHHHHHHH--HHH--EEEE-----EEEEEE--EEEEEE--- ----HHHHHHHHHHH-
Query: 12 THRVQIEYCTQCRWLPRAAWLAQELLTTFETELTELALKPGTGGVFVVRVDDEVVWDRREQ-GFPEPTAVKRLVRDRV 88
Sbjct: 3 KAQIEIYYCRQCNWL-RSAWLSQELLHTFSEEIEYVALHPDTGGRFEIFCNGVQIWERKQEGGFPEAKVLKQRVRDLI 79
-EEEEEEEE------ HHHHHHHHHHHH----EEEEEEEEE----EEEEE--EEEEEHHHH-----HHHHHHHHH---
77 residues (71.96%) 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: 33.33% helical, 28.57% extended, 38.10% loops/other (query: 25.23% 20.56% 54.21%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Thioredoxin fold]
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.
2FA8_A c.47.1.23 19.16.15.3 LOW -24.921 0 1 79.44% 47.06% OPTM -537.263 -354.100 6.051 0.879 0.948 0.981 0.981 27.860 -42.3 15.210 273.500 -242.5 27.450 272.500 -321.5 4.140 7.270 -1.1 5.300 7.480 -27.5 17.190 45.130 -25.3 27.110 45.410 -58.3 17.750 27.910 -33.6 23.600 30.730 -60.5 -30.000 5.000 -45.0 -30.000 6.000 -67.0 24.620 360.000 -302.0 52.240 336.000 -368.0 0.600 0.000 6.0 5.630 19.000 -53.0 5.000 -41.4 -8.432 -35.6 0.000 -9.3e+061 5.000 -45.2 1.279 -13.4 0.06 0.68
alignment source: OPTM
---EEEEEE-------HHHHHHHHHHHHH--HHH--EEEE-----EEEEEE--EEEEEE--- ----HHHHHHHHHHH--
Query: 11 HTHRVQIEYCTQCRWLPRAAWLAQELLTTFETELTELALKPGTGGVFVVRVDDEVVWDRREQ-GFPEPTAVKRLVRDRVA 89
Sbjct: 4 TKPRIAIRYCTQCNWLLRAGW-AQEILQTFASDIGEVSLIPSTGGLFEITVDGTIIWERKRDGGFPGPKELKQRIRDLID 82
---EEEEEEE-----HHHHH- -HHHHHHH-----EEEEEEE----EEEEE--EEEEEHHHH-----HHHHHHHHHHHH-
------
Query: 90 PEKSLG 95
Sbjct: 83 PERDLG 88
------
85 residues (79.44%) of query sequence aligned
DONE: Sat Aug 16 05:33:39 2008 EST