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:Wed Aug 06 18:06:11 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 = 200 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 T0388
--> 174 residues, sequence name: T0388
Database: T:\CBSU\blastdb\20080108\nr
-> 130 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 | 100 | 104 | 16 | 3 | 7 | 6 | 5 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 1.12 | 0.86 | 1.14 | 2.72 |
2 | 1.12 | 0.00 | 1.02 | 1.44 | 2.87 |
3 | 0.86 | 1.02 | 0.00 | 0.85 | 2.90 |
4 | 1.14 | 1.44 | 0.85 | 0.00 | 2.91 |
5 | 2.72 | 2.87 | 2.90 | 2.91 | 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: 29.87% helical, 18.83% extended, 51.30% loops/other (query: 31.03% 21.26% 47.70%)
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.
2P31_A not_found 25.25.25.25 NONE -43.231 0 1 89.08% 56.13% OPTM -774.991 -651.720 10.120 0.680 0.963 0.999 0.999 61.320 -86.6 25.350 592.500 -566.5 48.270 584.000 -653.0 -0.150 14.440 4.6 6.550 24.390 -51.1 10.780 86.670 -42.2 42.500 107.850 -126.1 18.840 74.050 -74.1 37.580 81.330 -123.4 -30.000 32.000 -112.0 -30.000 32.000 -124.0 27.790 675.000 -584.0 85.820 616.000 -656.0 7.940 71.000 -116.0 15.470 90.000 -162.0 5.000 -73.0 -10.256 -16.6 0.000 -9.3e+061 5.000 -77.0 -0.347 -57.3 0.21 0.93
alignment source: OPTM
---EEEEEE------E-HHH----EEEEEE--------HHHHHHHHHHHHHH----EEEEE-------------HHHHHH
Query: 10 NSFYAFEVKDAKGRTVSLEKYKGKVSLVVNVASDCQLTDRNYLGLKELHKEFGPSHFSVLAFPCNQFGESEPRPSKEVES 89
Sbjct: 23 QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIES 102
------EEE-----EEE-------EEEEEEE------HHHHHHHHHHHHHHH----EEEEEEE-----------HHHHHH
HHH--------EEEEEEE------HHHHHHHH-------E-EEEEEE-----EEEEE-----HHHHHHHHHHHHH
Query: 90 FARKNYGVTFPIFHKIKILGSEGEPAFRFLVDSSKKEPRWNFWKYLVNPEGQVVKFWRPEEPIEVIRPDIAALVR 164
Sbjct: 103 FARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR 177
HHHHHH------------------HHHHHHHHHH---------EEEE-----EEEEE-----HHHHHHHHH----
155 residues (89.08%) 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: 27.50% helical, 18.13% extended, 54.38% loops/other (query: 31.03% 21.26% 47.70%)
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.
2P5Q_A not_found 25.25.25.25 NONE -43.691 0 1 89.08% 40.65% OPTM -684.937 -587.230 7.984 0.615 0.899 0.960 0.997 45.330 -72.3 17.020 370.500 -359.0 29.960 353.000 -411.0 4.250 17.500 -28.8 3.770 14.390 -52.0 12.770 66.960 -54.7 20.890 65.300 -91.5 16.330 44.060 -73.2 30.000 56.540 -104.9 -30.000 21.000 -111.0 -30.000 19.000 -121.0 21.870 527.500 -440.0 67.880 446.000 -487.0 8.380 71.000 -112.0 16.880 86.000 -159.0 5.000 -73.2 -3.677 -20.4 0.000 -9.3e+061 5.000 -73.4 0.204 -31.1 0.25 0.87
alignment source: OPTM
---EEEEEE------E-HHH----EEEEEE--------HHHHHHHHHHHHHH----EEEEE-------------HHHHHH
Query: 10 NSFYAFEVKDAKGRTVSLEKYKGKVSLVVNVASDCQLTDRNYLGLKELHKEFGPSHFSVLAFPCNQFGESEPRPSKEVES 89
Sbjct: 10 ESVHDFTVKDAKENDVDLSIFKGKVLLIVNVASKCGMTNSNYAEMNQLYEKYKDQGLEILAFPCNQFGEEEPGTNDQITD 89
------EEE-----EEE-------EEEEEEE------HHHHHHHHHHHHHHH----EEEEEEE-----------HHHHHH
HHH--------EEEEEEE------HHHHHHH H-------E-EEEEEE-----EEEEE-----HHHHHHHHHHHHH
Query: 90 FARKNYGVTFPIFHKIKILGSEGEPAFRFLV----DSSKKEPRWNFWKYLVNPEGQVVKFWRPEEPIEVIRPDIAALVR 164
Sbjct: 90 FVCTRFKSEFPIFDKIDVNGENASPLYRFLKLGKWGIFGDDIQWNFAKFLVNKDGQVVDRYYPTTSPLSLERDIKQLLE 168
HHHHH-------------------HHHHHHH-HHHH-----------EEEE-----EEEEE---------HHHHHHH--
155 residues (89.08%) 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: 21.34% helical, 18.90% extended, 59.76% loops/other (query: 31.03% 21.26% 47.70%)
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.
2OBI_A not_found 25.25.25.25 NONE -43.820 0 1 89.08% 38.71% OPTM -650.306 -443.970 8.184 0.612 0.875 0.927 0.986 47.900 -70.5 17.060 338.000 -356.0 31.860 330.500 -400.0 4.740 19.690 -37.0 4.760 14.370 -46.1 17.900 71.400 -66.0 27.580 66.750 -84.7 19.200 52.960 -86.3 25.580 54.050 -100.4 -30.000 28.000 -116.0 -30.000 22.000 -119.0 23.020 546.000 -477.0 76.100 468.000 -507.0 8.280 62.000 -111.0 13.970 77.000 -145.0 5.000 -69.0 -3.729 -26.8 0.000 -9.3e+061 5.000 -69.0 -0.745 -29.7 0.26 0.76
alignment source: OPTM
------EEEEEE------E-HHH----EEEEEE--------HHHHHHHHHHHHHH----EEEEE-------------HHH
Query: 7 SMINSFYAFEVKDAKGRTVSLEKYKGKVSLVVNVASDCQLTDRNYLGLKELHKEFGPSHFSVLAFPCNQFGESEPRPSKE 86
Sbjct: 9 RCARSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQCGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGKQEPGSNEE 88
--------EEE-----EEE-------EEEEEEE------HHHHHHHHHHHHHHH----EEEEEEE-----------HHHH
HHHHHH--------EEEEEEE------HHHHHHHH--- ----E-EEEEEE-----EEEEE-----HHHHHHHHH
Query: 87 VESFARKNYGVTFPIFHKIKILGSEGEPAFRFLVDSSK------KEPRWNFWKYLVNPEGQVVKFWRPEEPIEVIRPDIA 160
Sbjct: 89 IKEFAAG-YNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEPLVIEKDLP 167
HHHHH-- ----EE------------HHHHHHH------------------EEEE-----EEEEE------HHHH-----
H
Query: 161 A 161
Sbjct: 168 H 168
-
155 residues (89.08%) 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: 20.59% helical, 18.24% extended, 61.18% loops/other (query: 31.03% 21.26% 47.70%)
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.
2GS3_A not_found 25.25.25.25 NONE -44.057 0 1 93.10% 41.36% OPTM -605.918 -577.880 8.666 0.618 0.868 0.931 0.983 47.270 -69.5 19.380 379.000 -382.0 35.170 356.500 -428.0 3.700 10.560 -36.8 3.610 6.450 -44.7 14.570 64.820 -61.4 26.020 62.660 -82.2 16.280 44.420 -83.0 24.300 53.050 -99.3 -30.000 14.000 -108.0 -30.000 25.000 -120.0 27.410 612.000 -543.0 89.340 537.000 -580.0 6.870 32.000 -106.0 13.220 53.000 -144.0 5.000 -70.7 -3.047 -25.8 0.000 -9.3e+061 5.000 -71.2 -0.678 -31.4 0.74 0.73
alignment source: OPTM
----HH-- ----EEEEEE------E-HHH----EEEEEE--------HHHHHHHHHHHHHH----EEEEE--------
Query: 1 ENLYFQSM--INSFYAFEVKDAKGRTVSLEKYKGKVSLVVNVASDCQLTDRNYLGLKELHKEFGPSHFSVLAFPCNQFGE 78
Sbjct: 28 ENLYFQSMRCARSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQGGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGK 107
----------------EEE-----EEE-------EEEEEEE------HHHHHHHHHHHHHHH----EEEEEEE-------
-----HHHHHHHHH--------EEEEEEE------HHHHHHHH------ -E-EEEEEE-----EEEEE-----H
Query: 79 SEPRPSKEVESFARKNYGVTFPIFHKIKILGSEGEPAFRFLVDSSKKEP------RWNFWKYLVNPEGQVVKFWRPEEPI 152
Sbjct: 108 QEPGSNEEIKEFAAG-YNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEP 186
----HHHHHHHHHH- ----EE------------HHHHHH-------------------EEEE-----EEEEE-------
HHHHHHHHHH
Query: 153 EVIRPDIAAL 162
Sbjct: 187 LVIEKDLPHY 196
-----HHHH-
162 residues (93.10%) 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: 20.81% helical, 17.92% extended, 61.27% loops/other (query: 31.03% 21.26% 47.70%)
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.
2I3Y_A not_found 25.25.25.25 NONE -44.100 0 1 87.36% 35.53% OPTM -586.218 -448.600 5.025 0.590 0.838 0.848 0.970 34.040 -59.1 9.780 211.000 -221.5 14.260 159.000 -263.0 1.640 11.570 -30.9 1.130 5.120 -42.3 4.220 31.440 -28.1 6.620 21.860 -45.2 6.920 13.350 -54.3 12.380 9.120 -66.2 -30.000 -3.000 -96.0 -30.000 -5.000 -107.0 16.660 360.000 -289.0 48.730 308.000 -360.0 4.300 42.000 -78.0 10.060 40.000 -105.0 5.000 -42.2 -4.464 -49.3 0.000 -9.3e+061 5.000 -42.2 0.447 -18.5 0.15 0.73
alignment source: OPTM
------EEEEEE------E-HHH----EEEEEE--------HHHHHHHHHHHHHH----EEEEE-------------HHH
Query: 7 SMINSFYAFEVKDAKGRTVSLEKYKGKVSLVVNVASDCQLTDRNYLGLKELHKEFGPSHFSVLAFPCNQFGESEPRPSKE 86
Sbjct: 38 GTIYDYEAIALN--KNEYVSFKQYVGKHILFVNVATYCGLT-AQYPELNALQEELKPYGLVVLGFPCNQFGKQEPGDNKE 114
-----EEE---- --EEE-------EEEEEEE-------- -HHHHHHHHHHH----EEEEEEE-----------HHHH
HHHHHH- -------EEEEEEE------HHHHHHHH------ -E-EEEEEE-----E
Query: 87 VESFARK-----NYGVTFPIFHKIKILGSEGEPAFRFLVDSSKKEP-------------------RWNFWKYLVNPEGQV 142
Sbjct: 115 ILPGLKYVRPGGGFVPSFQLFEKGDVNGEKEQKVFSFLKHSCPHPSEILGTFKSISWDPVKVHDIRWNFEKFLVGPDGIP 194
HHHHHH-----------EE------------HHHHHHHHH-----------------------------EEEE-----EE
EEEE-----HHHHHHH
Query: 143 VKFWRPEEPIEVIRPD 158
Sbjct: 195 VMRWSHRATVSSVKTD 210
EEE-----HHHHHH-D
152 residues (87.36%) of query sequence aligned
DONE: Wed Aug 06 22:43:57 2008 EST