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 01:59:42 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 T0437
--> 99 residues, sequence name: T0437
Database: T:\CBSU\blastdb\20080108\nr
-> 16 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 | 3 | 37 | 15 | 1 | 0 | 0 | 0 | 7 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 7.89 | 7.28 | 9.25 | 6.53 |
2 | 7.89 | 0.00 | 7.09 | 2.96 | 4.76 |
3 | 7.28 | 7.09 | 0.00 | 8.39 | 7.00 |
4 | 9.25 | 2.96 | 8.39 | 0.00 | 5.91 |
5 | 6.53 | 4.76 | 7.00 | 5.91 | 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 | 33.90 | 28.57 | 32.79 | 36.54 |
2 | 33.90 | 100.00 | 36.67 | 100.00 | 75.00 |
3 | 28.57 | 36.67 | 100.00 | 37.50 | 40.38 |
4 | 32.79 | 100.00 | 37.50 | 100.00 | 70.00 |
5 | 36.54 | 75.00 | 40.38 | 70.00 | 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 | 61.02 | 53.97 | 60.66 | 78.85 |
2 | 61.02 | 100.00 | 83.33 | 100.00 | 100.00 |
3 | 53.97 | 83.33 | 100.00 | 78.13 | 90.38 |
4 | 60.66 | 100.00 | 78.13 | 100.00 | 100.00 |
5 | 78.85 | 100.00 | 90.38 | 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: 17.81% helical, 45.21% extended, 36.99% loops/other (query: 32.32% 37.37% 30.30%)
SCOP classification: [Alpha and beta proteins (a+b)]/[Dodecin subunit-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.
d.230.1.1.3_B d.230.1.1 94.3.2.2 LOW -24.249 0 1 63.64% 7.94% OPTM -235.442 -88.730 0.787 0.596 0.579 0.699 0.829 2.580 -16.8 0.810 9.000 14.0 0.570 -2.500 -47.0 -0.470 -3.190 6.1 -1.200 -0.070 -15.2 -0.610 -4.320 19.8 -0.300 0.100 -11.4 2.160 -3.090 5.2 5.500 -0.350 -21.3 -30.000 7.000 -25.0 -30.000 -3.000 -43.0 1.890 33.000 19.0 1.440 13.000 -40.0 2.250 24.000 -1.0 5.100 12.000 -45.0 5.000 0.3 -2.814 -64.5 0.000 -9.3e+061 5.000 0.3 5.000 5.0 -0.08 0.55
alignment source: OPTM
-----EEEEEEE---HHHHHHHHHHHHHHHHHHH------ EEEEEEEE-- --EEEEEEEEEEE
Query: 22 DNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGA-----SVAYKIKDLE--------GQVELDAAFTFSC 84
Sbjct: 1 MFYHISLEHEILLHPRYFGPNLLNTVKQKLFTEVEGTCTGKYGFVIAVTTIDNIGAGVIQPGRGFVLYPVKYKAIV 76
--EEEEEEEEEEE--------HHHHHHHHHHHHH---EE---EEEEEEEEEEEE-----------EEEEEEEEEEE
63 residues (63.64%) 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: 22.73% helical, 50.00% extended, 27.27% loops/other (query: 32.32% 37.37% 30.30%)
SCOP classification: [Alpha and beta proteins (a+b)]/[Dodecin subunit-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.
1MOG_A d.230.2.1 94.3.1.1 LOW -24.396 0 1 60.61% 8.33% OPTM -154.786 -75.010 0.804 0.481 0.294 0.857 0.951 0.770 -18.5 0.760 6.000 25.0 2.440 4.500 -70.0 0.670 0.630 17.6 -0.690 0.020 -15.3 0.470 -2.380 32.6 -0.260 0.040 -12.5 2.430 1.060 20.5 8.210 2.020 -26.1 -30.000 6.000 -23.0 -30.000 2.000 -48.0 1.330 16.000 36.0 2.370 -3.000 -47.0 1.350 10.000 28.0 4.840 8.000 -44.0 5.000 -0.5 0.661 -30.3 -23.000 120.0 5.000 -0.5 -0.796 0.6 -0.07 0.56
alignment source: OPTM
-EEEEEEE---HHHHHHHHHHHHHHHHHHH------EEEEEEEE--- -EEEEEEEEEEEE
Query: 26 CTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEG--QVELDAAFTFSCQ 85
Sbjct: 2 VFKKVLLTGTSEESFTAAADDAIDRAEDTLDNVVWAEVVDQGVEIGAVEERTYQTEVQVAFE 63
-EEEEEEEEEE---HHHHHHHHHHHHHHH---EEEEEEEEEEEE-------EEEEEEEEEEE
60 residues (60.61%) 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: 38.55% helical, 20.48% extended, 40.96% loops/other (query: 32.32% 37.37% 30.30%)
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.
2JZ5_A not_found 50.50.50.4 LOW -24.494 0 1 74.75% 33.33% OPTM -299.750 -186.290 1.826 0.486 0.559 0.792 0.921 6.980 -25.1 4.250 47.000 -88.5 8.570 87.000 -156.5 -0.400 1.250 -8.0 -1.840 -3.960 -14.9 0.230 -1.110 -1.6 3.910 11.410 -23.5 1.870 9.500 -10.6 12.700 8.330 -37.2 -30.000 15.000 -42.0 -30.000 5.000 -56.0 5.440 59.000 -72.0 10.470 96.000 -144.0 -0.440 0.000 21.0 1.280 2.000 -35.0 5.000 -9.3 -1.087 -31.6 0.000 -9.3e+061 5.000 -9.3 5.000 -7.2 -0.26 0.54
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-----EEEEEEE---HHHHHHHHHHHHHHHHHHH------EEEEEEEE----E EEEEEEEEEEEEEHHHHHHHHHHH-
Query: 22 DNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQV-ELDAAFTFSCQAEMIIFELSLRSLA 99
Sbjct: 9 KEGDEVADVTIFAETKDALESELAKYIELAKSVCAG-----VEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLA 82
----EEEEEEE---HHHHHHHHHHHHHHHHHH---- EEE---------EEEEEEE---HHHHHHHHHHHHHH--
74 residues (74.75%) 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: 22.73% helical, 57.58% extended, 19.70% loops/other (query: 32.32% 37.37% 30.30%)
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.
2CZ8_A not_found 50.50.50.4 LOW -24.672 0 1 64.65% 7.81% OPTM -188.471 -92.460 0.689 0.377 0.258 0.863 0.899 1.950 -19.6 1.370 32.000 18.0 -0.650 -4.000 -40.0 2.060 8.000 11.9 -1.990 -1.510 -11.8 2.130 9.030 25.5 -1.260 0.960 -9.4 5.390 2.010 12.7 9.080 3.060 -26.8 -30.000 10.000 -26.0 -30.000 6.000 -51.0 0.520 -3.000 46.0 -0.740 -3.000 -29.0 2.400 17.000 29.0 3.650 1.000 -33.0 5.000 0.1 3.100 -41.9 0.000 -9.3e+061 5.000 0.1 5.000 0.7 -0.03 0.40
alignment source: OPTM
---EEEEEEE---HHHHHHHHHHHHHHHHHHH------EEEEEEEE----EEEEEEEEEEEEEE
Query: 24 DNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAE 87
Sbjct: 2 GKVYKKVELVGTSEEGLEAAIQAALARARKTLRHLDWFEVKEIRGTIGEAGVKEYQVVLEVGFR 65
---EEEEEEEEEE---HHHHHHHHHHHHHHH---EEEEEEEEEEEEEE--EEEEEEEEEEEEEE
64 residues (64.65%) 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: 22.86% helical, 44.29% extended, 32.86% loops/other (query: 32.32% 37.37% 30.30%)
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.
2JXT_A not_found 50.50.50.4 LOW -24.802 0 1 64.65% 14.93% OPTM -212.150 -71.750 0.862 0.553 0.235 0.696 0.878 0.090 -20.2 2.810 40.000 -31.0 0.370 13.000 -50.5 -0.740 -3.050 -3.1 -0.560 0.170 -17.2 -0.220 0.220 6.0 0.450 -0.220 -14.3 5.880 3.460 -15.8 7.520 2.570 -27.4 -30.000 0.000 -42.0 -30.000 3.000 -54.0 1.970 34.000 -3.0 0.450 8.000 -37.0 0.730 -5.000 22.0 3.730 -2.000 -40.0 5.000 5.0 0.607 -45.6 0.000 -9.3e+061 5.000 5.0 5.000 5.0 0.28 0.67
alignment source: OPTM
-------EEEEEEEE-----EEEEEEE---HHHHHHHHHHHHHHHHHHH------EEEEEEEE----
Query: 7 KCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQ 73
Sbjct: 2 KMKTKIFRVKGKFLMG-DKLQPFTKELNAIRE--EEIYERLYSEFGSKHRVPRSKVKIEEIEEISPE 65
---EEEEEEEEEEE-- EEEEEEEEEEE--HH HHHHHHHHHHHHH-------EEEEEEEEE----
64 residues (64.65%) of query sequence aligned
DONE: Sat Aug 16 04:06:34 2008 EST