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 05:35:09 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 T0459
--> 111 residues, sequence name: T0459
Database: T:\CBSU\blastdb\20080108\nr
-> 5 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 | 26 | 116 | 4 | 1 | 0 | 0 | 0 | 2 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 2.95 | 3.78 | 2.92 | 2.89 |
2 | 2.95 | 0.00 | 3.21 | 1.65 | 3.34 |
3 | 3.78 | 3.21 | 0.00 | 3.77 | 4.32 |
4 | 2.92 | 1.65 | 3.77 | 0.00 | 4.85 |
5 | 2.89 | 3.34 | 4.32 | 4.85 | 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 | 89.29 | 100.00 | 100.00 |
2 | 100.00 | 100.00 | 81.25 | 100.00 | 92.98 |
3 | 89.29 | 81.25 | 100.00 | 87.10 | 78.33 |
4 | 100.00 | 100.00 | 87.10 | 100.00 | 82.54 |
5 | 100.00 | 92.98 | 78.33 | 82.54 | 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: 53.42% helical, 12.33% extended, 34.25% loops/other (query: 51.35% 8.11% 40.54%)
SCOP classification: [All alpha proteins]/[DNA/RNA-binding 3-helical bundle]
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.
a.4.5.6.1_A a.4.5.6 102.85.83.1 GUESS -26.687 0 1 50.45% 19.64% OPTM -227.669 -149.300 0.758 0.799 0.529 0.714 0.929 8.960 -19.6 0.610 -6.000 40.5 -0.370 -22.000 -44.5 -0.450 0.750 21.0 0.090 1.310 -18.3 -0.640 1.530 36.4 -0.070 1.430 -14.6 6.150 11.160 10.5 6.940 4.950 -28.5 -30.000 10.000 -29.0 -30.000 17.000 -60.0 2.050 21.000 26.0 3.840 26.000 -56.0 0.610 2.000 48.0 0.470 -4.000 -29.0 5.000 -0.3 -0.138 -46.1 0.000 90.0 5.000 -0.3 5.000 5.0 0.18 0.87
alignment source: OPTM
HHHHHHHHHH- ------HHHHHHH-----HHHHHHHHHHHHH---EEE----EEEE
Query: 28 YTMLIISVLGN-----GSTRQNFNDIRSSIPGISSTILSRRIKDLIDSGLVERRSGQITTY 83
Sbjct: 12 AEEYIIESIWNNRFPPGTILPAERELSELIG-VTRTTLREVLQRLARDGWLTIQHGKPTKV 71
HHHHHHHHH------------HHHHHHHH-- -HHHHHHHHHHHHH---EEEE--EEEEE-
56 residues (50.45%) 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: 53.95% helical, 13.16% extended, 32.89% loops/other (query: 51.35% 8.11% 40.54%)
SCOP classification: [All alpha proteins]/[DNA/RNA-binding 3-helical bundle]
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.
1XMK_A a.4.5.19 102.85.83.2 GUESS -26.755 0 1 56.76% 18.75% OPTM -227.483 -117.680 0.683 0.835 0.629 0.776 0.951 7.620 -19.3 0.960 6.500 17.0 0.270 8.500 -54.5 0.770 3.070 17.3 -0.210 -1.430 -16.3 0.970 1.140 30.3 0.130 -1.810 -13.3 6.200 4.660 3.7 8.460 7.610 -33.8 -30.000 14.000 -40.0 -30.000 13.000 -59.0 0.960 18.000 36.0 0.520 8.000 -36.0 -0.020 4.000 44.0 1.280 1.000 -32.0 5.000 -1.7 -2.348 -34.9 0.000 -9.3e+061 5.000 -1.7 5.000 5.0 0.26 0.85
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHHHHHH-------HHHHHHH-----HHHHHHHHHHHHH---EEE----EEEEEE--HHHH
Query: 28 YTMLIISVLGNGSTRQNFNDIRSSIPGISSTILSRRIKDLIDSGLVERRSGQITTYALTEKGMN 91
Sbjct: 299 IKEKICDYLFNVS-DSSALNLAKNIGLTKARDINAVLIDMERQGDVYRQGTTPPIWHLTDKKRE 361
HHHHHHHHHH--- EEHHHHHHHH----HHHHHHHHHHHHH---EEEE-----EEEE-HHHH--
63 residues (56.76%) 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: 38.67% helical, 8.00% extended, 53.33% loops/other (query: 51.35% 8.11% 40.54%)
SCOP classification: [All alpha proteins]/[DNA/RNA-binding 3-helical bundle]
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.
a.4.5.11.1_B a.4.5.11 102.85.83.4 GUESS -26.989 0 1 61.26% 18.84% OPTM -270.420 -181.960 0.698 0.691 0.671 0.819 0.898 7.000 -17.0 0.550 -4.000 39.5 0.850 10.000 -54.0 -0.220 1.570 22.8 0.040 -1.040 -15.9 1.490 4.910 35.0 1.910 2.680 -14.7 5.530 10.930 9.3 6.470 6.010 -29.3 -30.000 16.000 -32.0 -30.000 11.000 -51.0 0.890 -11.000 52.0 1.510 2.000 -40.0 0.500 3.000 39.0 1.190 -2.000 -35.0 5.000 -0.5 4.536 -55.4 4.000 88.0 5.000 -0.5 5.000 5.0 0.35 0.74
alignment source: OPTM
---HHHHHHHHHH- ------HHHHHHH-----HHHHHHHHHHHHH---EEE----EEEEEE--HHHHHH
Query: 25 GKKYTMLIISVLGN--GSTRQNFNDIRSSIPGISSTILSRRIKDLIDSGLVERRSGQITTYALTEKGMNVR 93
Sbjct: 245 LEKRDREILEVLILRFGGGPVGLATLATALSEDPGTLEEVHEPYLIRQGLLKRTPR---GRVATELAYRHL 312
-HHHHHHHH-------------HHHH--------HHHH--HHHHHH---EEE---- EEE-HHHHHHH-
68 residues (61.26%) 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: 50.00% helical, 12.50% extended, 37.50% loops/other (query: 51.35% 8.11% 40.54%)
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.
2FU4_A not_found 79.79.79.33 GUESS -27.050 0 1 63.96% 22.54% OPTM -295.346 -137.580 0.792 0.774 0.443 0.818 0.925 11.180 -21.8 1.160 18.500 0.5 2.190 6.000 -72.5 -0.360 -1.140 15.3 -0.780 -0.940 -15.2 0.120 -2.760 27.0 -0.440 1.100 -12.6 5.510 8.570 2.1 6.780 7.860 -31.1 -30.000 -3.000 -27.0 -30.000 13.000 -58.0 0.070 -6.000 38.0 3.500 21.000 -58.0 -0.570 -4.000 40.0 1.220 -3.000 -35.0 5.000 -1.8 -0.341 -35.8 0.000 -9.3e+061 5.000 -1.8 5.000 5.0 0.59 0.89
alignment source: OPTM
-HHHHHHHH--- HHHHHHHHHH-- -----HHHHHHH- ----HHHHHHHHHHHHH---EEE-- --EEEEEE
Query: 16 PSESVLHLLGKK---YTMLIISVLGNG-STRQNFNDIRSSI----PGISSTILSRRIKDLIDSGLVERRS--GQITTYAL 85
Sbjct: 3 DNNTALKKAGLKVTLPRLKILEVLQEPDNHHVSAEDLYKRLIDMGEEIGLATVYRVLNQFDDAGIVTRHNFEGGKSVFEL 82
-HHHHHHH------HHHHHHHHHH---------HHHHHHHHHH------HHHHHHHHHHHHHH--EEEEE-----EEEEE
-
Query: 86 T 86
Sbjct: 83 T 83
-
71 residues (63.96%) 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: 57.53% helical, 10.96% extended, 31.51% loops/other (query: 51.35% 8.11% 40.54%)
SCOP classification: [All alpha proteins]/[DNA/RNA-binding 3-helical bundle]
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.
1LDD_A a.4.5.34 102.85.83.2 GUESS -27.083 0 1 56.76% 15.87% OPTM -259.329 -116.900 0.388 0.699 0.485 0.794 0.920 7.110 -17.9 -1.400 -20.000 49.5 -1.060 -2.000 -48.0 -0.130 -1.280 22.2 -1.060 -2.660 -13.9 -0.470 -0.860 37.8 0.320 0.320 -13.5 1.660 -4.490 18.5 4.220 -1.210 -26.1 -30.000 -10.000 -21.0 -30.000 6.000 -51.0 -1.260 -28.000 59.0 0.930 7.000 -43.0 -1.300 -9.000 52.0 1.940 -6.000 -34.0 5.000 -0.5 -2.292 -40.4 1.000 100.0 5.000 -0.5 5.000 5.0 0.29 0.82
alignment source: OPTM
HHH---HHHHHHHHHH------- HHHHHHH-- ---HHHHHHHHHHHHH---EEE----EEEEE
Query: 22 HLLGKKYTMLIISVLGNGSTRQN---FNDIRSSIP------GISSTILSRRIKDLIDSGLVERRSGQITTYA 84
Sbjct: 775 ELTLQRSLPFIEGMLTNLGAMKLHKIHSFLKITVPKDWGYNRITLQQLEGYLNTLADEGRLKYIANGSYEIV 846
HHHHHHHHHHHHHHHHH--EEHHHHHHHHHHH-----------HHHHHHHHHHHHH---EE-----EEEE-V
63 residues (56.76%) of query sequence aligned
DONE: Sat Aug 16 08:52:59 2008 EST