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 09 04:22:54 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 T0411
--> 139 residues, sequence name: T0411
Database: T:\CBSU\blastdb\20080108\nr
-> 8 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 | 44 | 30 | 5 | 3 | 0 | 0 | 0 | 1 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 4.39 | 4.99 | 6.20 | 4.67 |
2 | 4.39 | 0.00 | 5.46 | 6.41 | 5.41 |
3 | 4.99 | 5.46 | 0.00 | 4.23 | 4.34 |
4 | 6.20 | 6.41 | 4.23 | 0.00 | 6.08 |
5 | 4.67 | 5.41 | 4.34 | 6.08 | 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 | 42.74 | 43.97 | 43.12 | 43.59 |
2 | 42.74 | 100.00 | 41.38 | 37.61 | 39.50 |
3 | 43.97 | 41.38 | 100.00 | 50.00 | 43.10 |
4 | 43.12 | 37.61 | 50.00 | 100.00 | 41.28 |
5 | 43.59 | 39.50 | 43.10 | 41.28 | 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 | 98.17 | 100.00 |
2 | 100.00 | 100.00 | 100.00 | 93.58 | 100.00 |
3 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |
4 | 98.17 | 93.58 | 100.00 | 100.00 | 99.08 |
5 | 100.00 | 100.00 | 100.00 | 99.08 | 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: 35.07% helical, 12.69% extended, 52.24% loops/other (query: 36.69% 12.23% 51.08%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Rhodanese/Cell cycle control phosphatase]
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.
c.46.1.4.1_A c.46.1.4 22.15.15.2 NONE -35.455 0 1 84.17% 11.11% OPTM -332.212 -263.240 1.435 0.582 0.725 0.791 0.907 16.550 -31.4 1.620 39.500 -32.0 0.220 20.500 -66.0 0.660 -0.130 -13.5 1.010 1.280 -26.8 0.560 3.550 3.6 3.610 3.530 -24.1 3.570 8.060 -28.9 6.640 5.780 -39.0 -30.000 -1.000 -72.0 -30.000 5.000 -85.0 0.210 31.000 33.0 5.380 28.000 -69.0 1.700 20.000 -32.0 6.940 28.000 -72.0 5.000 -3.2 -11.967 -63.2 0.000 -9.3e+061 5.000 -3.2 0.813 -1.4 0.38 0.96
alignment source: OPTM
----HHHHHHHHH-----EEEEEE--HHHHHH------EE--- HHHHHH----HHHHHHH----------E
Query: 23 QSYSFEDMKRIVGKHDPNVVLVDVREPSEYSIVHIPASINVPY---------RSHPDAFALDPLEFEKQIGIPKPDSAKE 93
Sbjct: 181 GAITAKELYTMMTDKNISLIIMDARRMQDYQDSCILHSLSVPEEAISPGVTASWIEAHLPDDSKDTWKKRG-----NVEY 255
-EE-HHHHHHHHH-----EEEEE---HHHHHH------EE-----------HHHHHH---HHHHHHHH--- ---E
EEEEE-- -HHHHHHHHHHHH---- -EEE----HHHHHH--------
Query: 94 LIFYCAS--------GKRGGEAQKVASSHGYS-----NTSLYPGSMNDWVSHGGDKLDL 139
Sbjct: 256 VVLLDWFSSAKDLQIGTTLRSLKDALFKWESKTVLRNEPLVLEGGYENWLLCYPQYTTN 314
EEEE-------------HHHHHHHHHH------------EEE--HHHHHHHH-------
117 residues (84.17%) 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: 42.45% helical, 18.87% extended, 38.68% loops/other (query: 36.69% 12.23% 51.08%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Rhodanese/Cell cycle control phosphatase]
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.
1GMX_A c.46.1.3 22.15.15.3 NONE -35.488 0 1 75.54% 14.05% OPTM -289.031 -161.090 1.958 0.413 0.671 0.831 0.935 17.810 -33.6 2.410 49.500 -27.5 2.180 14.500 -85.0 3.120 4.700 9.3 2.520 3.220 -24.2 5.130 9.500 17.0 2.900 3.090 -19.0 10.380 20.610 -13.6 11.680 18.300 -41.9 -30.000 23.000 -60.0 -30.000 24.000 -78.0 7.110 132.000 -65.0 14.530 89.000 -125.0 1.100 22.000 5.0 2.660 12.000 -52.0 5.000 -13.0 -7.899 -61.7 6.000 173.0 5.000 -13.0 -0.553 -2.7 0.22 0.75
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
--------HHHHHHHHH-----EEEEEE--HHHHHH------EE---HHHHHH----HHHHHHH----------EEEEEE
Query: 19 VSNIQSYSFEDMKRIVGKHDPNVVLVDVREPSEYSIVHIPASINVPYRSHPDAFALDPLEFEKQIGIPKPDSAKELIFYC 98
Sbjct: 1 MDQFECINVADAHQKLQEKEA--VLVDIRDPQSFAMGHAVQAFHLT----NDT----LGAFMRDNDFDTP------VMVM 64
----EEE-HHHHHHHHH---- EEEE---HHHHHH-EE---EE-- HHH HHHHHHH------ EEE-
---HHHHHHHHHHHH-----EEE----HHHHHH--------
Query: 99 ASGKRGGEAQKVASSHGYSNTSLYPGSMNDWVSHGGDKLDL 139
Sbjct: 65 YHGNSSKGAAQYLLQQGYDVVYSIDGGFEAWQRQFPAEVAY 105
----HHHHHHHHHHHH----EEEE--HHHHHHHH----EE-
105 residues (75.54%) 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: 40.31% helical, 16.28% extended, 43.41% loops/other (query: 36.69% 12.23% 51.08%)
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.
2OUC_A not_found 23.23.23.23 NONE -35.630 0 1 83.45% 14.66% OPTM -261.842 -248.280 0.888 0.524 0.581 0.797 0.901 14.850 -29.1 0.010 15.000 -12.5 1.210 6.000 -78.5 -1.210 -4.520 -1.3 0.990 -1.170 -27.4 -1.370 -8.660 16.5 2.000 3.510 -22.0 2.840 11.370 -22.6 5.430 4.430 -36.2 -30.000 10.000 -73.0 -30.000 9.000 -79.0 -0.140 -9.000 50.0 4.980 32.000 -68.0 -0.930 8.000 -8.0 2.060 15.000 -52.0 5.000 -6.3 -4.794 -66.2 0.000 -9.3e+061 5.000 -6.0 5.000 -1.8 0.26 0.85
alignment source: OPTM
----HHHHHHHHH-----EEEEEE--HHHHHH------EE--- HHHHHH----HHHHHHH-------- --EE
Query: 23 QSYSFEDMKRIVGKHDPNVVLVDVREPSEYSIVHIPASINVPY--RSHPDAFALDPLEFEKQIGIPKPDS------AKEL 94
Sbjct: 148 KIIYPNDLAKKMTKP----VIIDCRPFMEYNKSHIQGAVHINCADKISRRRLQQGKITVLDLISCREGKDSFKRIFSKEI 223
-EE-HHHHHHHHH-- EEEE---HHHHHHEEE---EE-----HHHHHHHH-----HHHHHH------HHHHHHH--E
EEEE-- -HHHHHHHHHHHH-----EEE----HHHHHH-------
Query: 95 IFYCAS---------GKRGGEAQKVASSHGYSNTSLYPGSMNDWVSHGGDKLD 138
Sbjct: 224 IVYDENTNEPSRVMPSQPLHIVLESLKREGK-EPLVLKGGLSSFKQNHENLCD 275
EEE--------------HHHHHHHHHHH--- --EEE--HHHHH-------EE
116 residues (83.45%) 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: 27.34% helical, 11.51% extended, 61.15% loops/other (query: 36.69% 12.23% 51.08%)
SCOP classification: [Alpha and beta proteins (a/b)]/[Rhodanese/Cell cycle control phosphatase]
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.
1URH_A c.46.1.2 22.15.15.6 NONE -35.653 0 1 78.42% 21.10% OPTM -251.676 -174.090 1.331 0.527 0.504 0.407 0.949 13.930 -30.1 -0.610 -11.000 330.0 1.700 26.000 -94.5 -1.010 -1.900 750.2 0.170 0.890 -27.0 -1.490 -6.630 769.2 1.020 3.260 -19.6 2.410 2.970 409.9 6.350 8.930 -47.4 -30.000 4.000 -7.0 -30.000 8.000 -93.0 -0.250 -17.500 406.5 17.880 93.000 -148.0 3.400 21.000 168.0 3.260 20.000 -67.0 5.000 -16.2 -10.584 -67.8 -35.000 261.0 5.000 -17.4 0.204 -3.7 0.33 0.80
alignment source: OPTM
HHHHH-- ---EEEEEE-- HHHHHH------EE---HHHHHH-- --HHHHHHH----------
Query: 31 KRIVGKH--DPNVVLVDVRE----------PSEYSIVHIPASINVPYRSHPDAFA------LDPLEFEKQIGIPKPDSAK 92
Sbjct: 8 ADWLAEHIDDPEIQIIDARMASPGQEDRNVAQEYLNGHIPGAVFFDIEALSDHTSPLPHMLPRPETFAVAMRELGVNQDK 87
HHHH-------EEEEE------------HHHHHHH------EE-------------------HHHHHHHHHH-------E
EEEEEE-- -HHHHHHHHHHHH-----EEE----HHHHHH-- ------
Query: 93 ELIFYCAS-GKRGGEAQKVASSHGYSNTSLYPGSMNDWVSHG----GDKLDL 139
Sbjct: 88 HLIVYDEGNLFSAPRAWWMLRTFGVEKVSILGGGLAGWQRDDLLLEEGAVEL 139
EEEE-------HHHHHHHHHH-----EEEE--HHHHHHH-------------
109 residues (78.42%) 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: 42.28% helical, 16.26% extended, 41.46% loops/other (query: 36.69% 12.23% 51.08%)
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.
2J6P_A not_found 23.23.23.23 NONE -35.688 0 1 85.61% 20.17% OPTM -282.376 -154.960 1.438 0.529 0.551 0.728 0.876 14.560 -29.6 -1.460 -4.500 16.0 3.580 18.000 -99.5 0.270 -7.010 -12.8 0.960 1.390 -23.3 0.180 -3.020 3.4 0.330 -0.560 -13.9 1.440 -6.300 -19.4 8.340 7.980 -40.6 -30.000 -1.000 -56.0 -30.000 5.000 -76.0 1.080 38.000 13.0 15.630 96.000 -136.0 -0.720 -2.000 -12.0 2.640 10.000 -60.0 5.000 1.5 -14.080 -66.0 0.000 -9.3e+061 5.000 1.5 -1.108 0.3 0.18 0.81
alignment source: OPTM
------HHHHHHHHH---- -EEEEEE--HHHHHH------EE---HHHHHH----HHHHHHH----------EEEEEE
Query: 21 NIQSYSFEDMKRIVGKHDP--NVVLVDVREPSEYSIVHIPASINVPYRSHPDAFALDPLEFEKQIGIPKPDSAKELIFYC 98
Sbjct: 3 NYTYIKPEELVELLDNPDSLVKAAVIDCRD-SDRDCGFIVNSINMPT------ISCTEEMYEKLAKTLFEEKKELAVFHC 75
--EEE-HHHHHHHHH-HHHHH-EEEEE--- -----------EE--- ----HHHHHHHHHHHHH----EEEEE-
--- HHHHHHHHHHHH----- EEE----HHHHHH---- ----
Query: 99 ASG-----KRGGEAQKVASSHGYSN--TSLYPGSMNDWVSHGGD-KLDL 139
Sbjct: 76 AQSLVRAPKGANRFALAQKKLGYVLPAVYVLRGGWEAFYHMYGDVRPDL 124
-----HHHHHHHHHHHHHHHH-----EEEEE--HHHHHHHHH-------
119 residues (85.61%) of query sequence aligned
DONE: Sat Aug 09 06:34:07 2008 EST