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:Sun Aug 10 10:59:54 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 T0410
--> 541 residues, sequence name: T0410
Database: T:\CBSU\blastdb\20080108\nr
PDB structure 1LOX with significant sequence identity (64.44%) has been detected:
pdb|1LOX|A Chain A, Rabbit Reticulocyte 15-Lipoxygenase
This structure may be a good candidate for homology modeling procedure
sequence_identity= 319/495 (64.44%) (length difference of 8.50%)
Query: 13 LGTENLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDE 72
L + +DFE +L G E+ALK +L+ W L+DF++IFW +S LA +VR WQ+D
Sbjct: 167 LEDKKIDFEASLAWGLAELALKNSLNILAPWKTLDDFNRIFWCGRSKLARRVRDSWQEDS 226
Query: 73 LFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELRAQLEKELQNGSLFEADFILLDGIPA 132
LF YQFLNGANPMLLRRS LP+RLV P GMEEL+AQLEKEL+ G+LFEADF LLD I A
Sbjct: 227 LFGYQFLNGANPMLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKA 286
Query: 133 NVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSW 192
NVI +QYLAAPLVMLK++P+GKL PMVIQ+ P S P LFLP+DPP+ WLLAK W
Sbjct: 287 NVILYCQQYLAAPLVMLKLQPDGKLMPMVIQLHLPKIGSSPPPLFLPTDPPMVWLLAKCW 346
Query: 193 VRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQ 252
VR+SDFQ+HE+ HLL HL+AEV VATMRCLP +HP+FK ++PH+RYT+EIN RAR
Sbjct: 347 VRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFKLIVPHLRYTLEINVRARNG 406
Query: 253 LISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALR 312
L+SD GIFD+ +STGGGGHVQLL++A A LTY S CPPDDLADRGLLG+ + YA DALR
Sbjct: 407 LVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALR 466
Query: 313 LWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLC 372
LWEII+RYV+GI+ L+Y+ D+ V+ D ELQ+WCREITE+GL AQ +GFP S QS +Q C
Sbjct: 467 LWEIISRYVQGIMGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQAC 526
Query: 373 HFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQ 432
HF+TMC+FTCT QH++I+ GQLDW+ WVPNAPCTMR+PPPTTK D T+ TVM +LP+++Q
Sbjct: 527 HFVTMCIFTCTGQHSSIHLGQLDWFTWVPNAPCTMRLPPPTTK-DATLETVMATLPNLKQ 585
Query: 433 ACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLD 492
+ LQM+I W L R QP MVPLG H+E+YFSGP+P+AVL +FR +L ++KEI RNE+LD
Sbjct: 586 SSLQMSIVWQLGRDQPIMVPLGQHQEEYFSGPEPRAVLEKFREELAIMDKEIEVRNEKLD 645
Query: 493 WPYEYLKPSCIENSV 507
PYEYL+PS +ENSV
Sbjct: 646 IPYEYLRPSIVENSV 660
PDB structure 2P0M with significant sequence identity (64.44%) has been detected:
pdb|2P0M|A Chain A, Revised Structure Of Rabbit Reticulocyte 15s-Lipoxygenase pdb|2P0M|B Chain B, Revised Structure Of Rabbit Reticulocyte 15s-Lipoxygenase
This structure may be a good candidate for homology modeling procedure
sequence_identity= 319/495 (64.44%) (length difference of 8.50%)
Query: 13 LGTENLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDE 72
L + +DFE +L G E+ALK +L+ W L+DF++IFW +S LA +VR WQ+D
Sbjct: 167 LEDKKIDFEASLAWGLAELALKNSLNILAPWKTLDDFNRIFWCGRSKLARRVRDSWQEDS 226
Query: 73 LFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELRAQLEKELQNGSLFEADFILLDGIPA 132
LF YQFLNGANPMLLRRS LP+RLV P GMEEL+AQLEKEL+ G+LFEADF LLD I A
Sbjct: 227 LFGYQFLNGANPMLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKA 286
Query: 133 NVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSW 192
NVI +QYLAAPLVMLK++P+GKL PMVIQ+ P S P LFLP+DPP+ WLLAK W
Sbjct: 287 NVILYCQQYLAAPLVMLKLQPDGKLMPMVIQLHLPKIGSSPPPLFLPTDPPMVWLLAKCW 346
Query: 193 VRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQ 252
VR+SDFQ+HE+ HLL HL+AEV VATMRCLP +HP+FK ++PH+RYT+EIN RAR
Sbjct: 347 VRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFKLIVPHLRYTLEINVRARNG 406
Query: 253 LISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALR 312
L+SD GIFD+ +STGGGGHVQLL++A A LTY S CPPDDLADRGLLG+ + YA DALR
Sbjct: 407 LVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALR 466
Query: 313 LWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLC 372
LWEII+RYV+GI+ L+Y+ D+ V+ D ELQ+WCREITE+GL AQ +GFP S QS +Q C
Sbjct: 467 LWEIISRYVQGIMGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQAC 526
Query: 373 HFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQ 432
HF+TMC+FTCT QH++I+ GQLDW+ WVPNAPCTMR+PPPTTK D T+ TVM +LP++ Q
Sbjct: 527 HFVTMCIFTCTGQHSSIHLGQLDWFTWVPNAPCTMRLPPPTTK-DATLETVMATLPNLHQ 585
Query: 433 ACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLD 492
+ LQM+I W L R QP MVPLG H+E+YFSGP+P+AVL +FR +L ++KEI RNE+LD
Sbjct: 586 SSLQMSIVWQLGRDQPIMVPLGQHQEEYFSGPEPRAVLEKFREELAIMDKEIEVRNEKLD 645
Query: 493 WPYEYLKPSCIENSV 507
PYEYL+PS +ENSV
Sbjct: 646 IPYEYLRPSIVENSV 660
-> 83 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 | 53 | 61 | 52 | 5 | 23 | 3 | 12 | 7 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 1.94 | 3.10 | 5.67 | 5.75 |
2 | 1.94 | 0.00 | 3.49 | 5.51 | 5.97 |
3 | 3.10 | 3.49 | 0.00 | 6.08 | 5.52 |
4 | 5.67 | 5.51 | 6.08 | 0.00 | 5.49 |
5 | 5.75 | 5.97 | 5.52 | 5.49 | 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 | 99.41 | 77.22 | 78.11 |
2 | 100.00 | 100.00 | 96.03 | 76.89 | 78.77 |
3 | 99.41 | 96.03 | 100.00 | 76.68 | 77.17 |
4 | 77.22 | 76.89 | 76.68 | 100.00 | 94.14 |
5 | 78.11 | 78.77 | 77.17 | 94.14 | 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 | 99.37 | 100.00 |
4 | 100.00 | 100.00 | 99.37 | 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: 34.01% helical, 4.81% extended, 61.18% loops/other (query: 46.40% 6.10% 47.50%)
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.
2P0M_A not_found 97.97.97.97 NONE -143.633 0 1 93.72% 63.31% OPTM -2241.814 -1933.040 22.361 0.721 0.953 0.931 0.995 220.790 -265.7 58.520 1944.000 -2025.0 105.070 2108.000 -2304.5 1.570 11.810 -100.7 8.770 47.560 -162.3 26.260 198.660 -233.8 59.010 365.770 -424.4 22.650 128.300 -270.7 63.980 254.480 -404.4 -30.000 64.000 -351.0 -30.000 115.000 -405.0 47.720 1564.000 -1464.0 169.470 1705.000 -1763.0 9.970 163.000 -346.0 23.740 263.000 -495.0 5.000 -999.0 -3.602 -5.0 0.000 -9.3e+061 5.000 -999.0 -0.959 -1.0 0.28 0.73
alignment source: OPTM
----------------- --HHHHHHHHHHHHHHHHHHHH---HHHHHHHHHHH-------HHHHHHHHH-HHH
Query: 1 MHHHHHHSSGVDLGTEN-------LDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDEL 73
Sbjct: 149 LILNVAGSKLTDLPVDERFLEDKKIDFEASLAWGLAELALKNSLNILAPWKTLDDFNRIFWCGRSKLARRVRDSWQEDSL 228
--EE---------------HHHHHHHHHHHHHHHHHHHHHHH------------HHHH------HHHHHHHH----HHHH
HHHHHH-----HHHHHH-----------HHH---HHHHHHHH---EEEE-----------------------EEEEEE--
Query: 74 FSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELRAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEP 153
Sbjct: 229 FGYQFLNGANPMLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKANVILYCQQYLAAPLVMLKLQP 308
HHHHHH-------EE---------------HHHHHHHHHHHH--EEEEE----------EE--EE------EEEEEEE--
---EEEEEEEE-----------EE------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH------HHH
Query: 154 NGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFK 233
Sbjct: 309 DGKLMPMVIQLHLPKIGSSPPPLFLPTDPPMVWLLAKCWVRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFK 388
-EEEEEEEE------------EE-----HHHHHHHHHHHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHH
HHHHHHHHHHHHHHHHHHH------EEEEE-----HHHHHHHHHHHH---------HHHHHH-----------HHHHHHH
Query: 234 FLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRL 313
Sbjct: 389 LIVPHLRYTLEINVRARNGLVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALRL 468
H------HHHHHHHH---------HHHHH------HHHHHHH------------HHHHHHHH--------HHHHHHHHHH
HHHHHHHHHHHHHH----HHHHH--HHHHHHHHHHHHH----------------HHHHHHHHHHHHHHH-HHH-------
Query: 314 WEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQ 393
Sbjct: 469 WEIISRYVQGIMGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQACHFVTMCIFTCTGQHSSIHLGQ 548
HHHHHHHHHHHHHH---HHHHH--HHHHHHHHHHH------------------HHHHHHHHHHHHHH--HHHHHHH--HH
----EE--------------------HHHHHHH---HHHHHHHHHHHHHH-------EE------HH---HHHHHHHHHH
Query: 394 LDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQF 473
Sbjct: 549 LDWFTWVPNAPCTMRLPPPTTK-DATLETVMATLPNLHQSSLQMSIVWQLGRDQPIMVPLGQHQEEYFSGPEPRAVLEKF 627
HH-------------------- --HHHHHHH---HHHHHHHHHHHHHH--------------------HHHHHHHHHHH
HHHHHHHHHHHHHH-------EEEE---------
Query: 474 RTDLEKLEKEITARNEQLDWPYEYLKPSCIENSV 507
Sbjct: 628 REELAIMDKEIEVRNEKLDIPYEYLRPSIVENSV 661
HHHHHHHHHHHHHHHH------------------
507 residues (93.72%) 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: 41.31% helical, 4.86% extended, 53.83% loops/other (query: 46.40% 6.10% 47.50%)
SCOP classification: [All alpha proteins]/[Lipoxigenase]
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.119.1.2.1_A a.119.1.2 76.8.8.1 NONE -143.899 0 1 91.50% 62.30% OPTM -2550.863 -1816.190 21.613 0.719 0.951 0.909 0.966 210.750 -256.5 56.830 1916.500 -1997.5 98.980 2044.000 -2250.0 -0.360 -14.750 -75.8 7.460 48.590 -166.7 19.060 152.840 -179.6 61.910 334.310 -401.1 20.030 118.520 -247.2 51.880 247.430 -387.1 -30.000 73.000 -352.0 -30.000 106.000 -401.0 48.900 1520.000 -1437.0 154.930 1638.000 -1698.0 9.150 163.000 -357.0 20.500 246.000 -491.0 5.000 -999.0 -3.424 -5.2 0.000 -9.3e+061 5.000 -999.0 -0.959 -1.0 0.50 0.87
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
--------- -----HHHHHHHHHHHHHHHHHHHH---HHHHHHHHHHH-------HHHHHHHHH-HHHHHHHHH-----
Query: 6 HHSSGVDLG-TENLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANP 84
Sbjct: 154 AGSKLTDLPVDERF-----LEDKKIDFELKNSLNILAPWKTLDDFNRIF--GRSKLARRVRDSWQEDSLFGYQFLNGANP 226
-------------- HHHHHHH--HHHH----------------- --HHHHHHHHH---HHHHHHHHHH-----
HHHHHH-----------HHH---HHHHHHHH---EEEE-----------------------EEEEEE-----EEEEEEEE
Query: 85 MLLRRSTSLPSRLVLPSGMEELRAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQI 164
Sbjct: 227 MLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKANVILYCQQYLAAPLVMLKLQPDGKLMPMVIQL 306
--EE--------------HHHHHHHHHHHH---EEEEE----------EE--EE------EEEEEE-----EEEEEEE--
-----------EE------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH------HHHHHHHHHHHHHH
Query: 165 QPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTME 244
Sbjct: 307 HLPKIGSSPPPLFLPTDPPMVWLLAKCWVRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFKLIVPHLRYTLE 386
----------EE-----HHHHHHHHHHHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHH------HHHH
HHHHHHHH------EEEEE-----HHHHHHHHHHHH---------HHHHHH-----------HHHHHHHHHHHHHHHHHH
Query: 245 INTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGI 324
Sbjct: 387 INVRARNGLVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALRLWEIISRYVQGI 466
HHHH---------HHHHH------HHHHHHHHHH---------HHHHHHH---------HHHHHHHHHHHHHHHHHHHHH
HHH----HHHHH--HHHHHHHHHHHHH----------------HHHHHHHHHHHHHHH-HHH-----------EE-----
Query: 325 VHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAP 404
Sbjct: 467 MGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQACHFVTMCIFTCTGQHSSIHLGQLDWFTWVPNAP 546
------HHHHH--HHHHHHHHHHH------------------HHHHHHHHHHHHHH--HHHHHHH--HHHH---------
---------------HHHHHHH---HHHHHHHHHHHHHH-------EE------HH---HHHHHHHHHHHHHHHHHHHHH
Query: 405 CTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEI 484
Sbjct: 547 CTMRLPPPTTK-DATLETVMATLPNLKQSSLQMSIVWQLG--QPIMVPLGQHQEEYFSGPEPRAVLEKFREELAIMDKEI 623
----------- --HHHHHHH---HHHHHHHHHHHHH--- ----------------HHHHHHHHHHHHHHHHHHHHHH
HHH-------EEEE-----------
Query: 485 TARNEQLDWPYEYLKPSCIENSVTS 509
Sbjct: 624 EVRNEKLDIPYEYLRPSIVENSVAI 648
HHHH--------------------I
495 residues (91.50%) 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: 32.19% helical, 3.29% extended, 64.52% loops/other (query: 46.40% 6.10% 47.50%)
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.
2FNQ_A not_found 97.97.97.97 NONE -144.134 0 1 93.90% 33.27% OPTM -2090.316 -1744.820 17.077 0.673 0.930 0.750 0.988 131.650 -182.6 12.450 440.500 -285.5 60.280 948.500 -1101.5 -0.300 -5.470 413.7 4.080 19.290 -136.5 0.150 -0.080 478.4 28.390 171.250 -226.3 -0.350 -1.620 203.0 36.390 159.630 -304.3 -30.000 4.000 -240.0 -30.000 106.000 -401.0 30.860 977.000 -653.0 163.730 1566.000 -1630.0 0.070 2.000 -109.0 21.790 182.000 -492.0 5.000 -1.0 -0.772 -7.2 0.000 -9.3e+061 5.000 -1.0 -0.387 -74.2 0.70 0.66
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---------------- --HHHHHHHHHHHHHHHHHHHH---HHHHHHHHHHH-------HHHHHHHHH-HHHHHHHH
Query: 2 HHHHHHSSGVDLGTEN---LDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQF 78
Sbjct: 528 KAKTHDDLPRDVQFTDEKSRSYQESRKAALVNLGIGSLFTMFENWDSYDDYHILYRNWILGGTPNMADRWHEDRWFGYQF 607
--------------HHHHHHHHHH--HHHH----HHHH---------------------------------HHHHHHHHH
H-----HHHHHH-----------HHH- --HHHHHHHH---EEEE-----------------------EEEEEE-----
Query: 79 LNGANPMLLRRSTSLPSRLVLPSGMEE--LRAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGK 156
Sbjct: 608 LNGANPVILTRCDALPSNFPVTNEHVNASLDRNLDEEIKDGHIYIVDFKVLVGAKS---YADIRYCAAPLALFYVNKLGH 684
H-------EE-----------HHHH-------HHHH-----EEEEE---------- ---------EEEEEE-----E
EEEEEEEE-----------EE---- --HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH------HHHHH
Query: 157 LQPMVIQIQPPNPSSPTPTLFLPSD-PPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFL 235
Sbjct: 685 LMPIAIQINQE--PGPENPIWTPHEENEHDWMMAKFWLGVAESNFHQLNTHLLRTHLTTESFALSTWRNLASAHPVFKLL 762
EEEEEE----- -----EE-------HHHHHHHHHHHHHHHHHHHH--------HHHHHHHHHHHHH-----HHHHHHH
HHHHHHHHHHHHHHHHH------EEEEE-----HHHHHHHHHHHH---------HHHHHH----- ------HHHHHH
Query: 236 IPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLG---LPGALYAHDALR 312
Sbjct: 763 QPHIYGVLAIDTIGRKELIGSGGIVDQSLSLGGGGHVTFMEKCFKEVNLQDYHLPNALKKRGVDDPSKLPGFYYRDDGLA 842
HHH--HHHHHHHHHHH-----------------HHHHHHHHHHH--------HHHHHHH------------HHHHHHHHH
HHHHHHHHHHHHHHH----HHHHH--HHHHHHHHHHHHH----- -----------HHHHHHHHHHHHHHH-HHH---
Query: 313 LWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQA---QDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAI 389
Sbjct: 843 LWEAIETFIGEIIAIFYKNDDDVKRDNEIQSWIYDVHKNGWRVNPGHQDHGVPASFESREQLKEVLTSLVFTFSCQHAAV 922
HHHHHHHHHHHHHHH---HHHHHH-HHHHHHHHHHHH--------------------HHHHHHHHHHHHHHH-HHHHHHH
--------EE--------------------HHHHHHH---HHHHHHHHHHHHHH-------EE------HH---HHHHHH
Query: 390 NQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAV 469
Sbjct: 923 NFSQKDHYGFTPNAPAVLRHPPPKKKGEATLQSILSTLPSKSQAAKAIATVYILTKFSEDERYLGNYSATAWEDKDALDA 1002
--HHHH---------------------------------HHHHHHHHHHHHHH--------------------HHHHHHH
HHHHHHHHHHHHHHHHHH-------EEEE-----------
Query: 470 LNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTS 509
Sbjct: 1003 INRFQDKLEDISKKIKQRNENLEVPYIYLLPERIPNGTAI 1042
HHHHHHHHHHHHHHHHHH---------------------I
508 residues (93.90%) 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: 44.22% helical, 6.90% extended, 48.88% loops/other (query: 46.40% 6.10% 47.50%)
SCOP classification: [All alpha proteins]/[Lipoxigenase]
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.
1FGQ_A a.119.1.1 76.8.8.7 NONE -144.216 0 1 88.35% 26.57% OPTM -1774.002 -1507.010 14.539 0.626 0.796 0.853 0.965 97.330 -140.8 13.260 473.500 -525.0 24.670 451.500 -619.0 3.240 27.150 -106.8 3.040 15.570 -117.1 7.590 78.770 -84.5 12.040 56.190 -111.5 10.810 70.910 -183.6 18.190 68.610 -201.5 -30.000 69.000 -349.0 -30.000 78.000 -366.0 51.020 1194.000 -1088.0 143.920 1150.000 -1209.0 9.730 135.000 -314.0 19.220 141.000 -391.0 5.000 -1.0 -0.657 -8.5 0.000 -9.3e+061 5.000 -1.0 0.544 -35.7 0.32 0.94
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
HHHHHH---HHHHHHHHHHH--- ----HHHHHHHHH-HHHHHHHHH-----HHHHHH-----------HHH-
Query: 34 KRVYTLLSSWNCLEDFDQIFWGQ--------KSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEE 105
Sbjct: 302 DVISTIIP----LPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYG 377
HHHHH--- -------EE-----EE----------------HHHHHHHHHH-------EE-----------HHHH--
--H HHHHHHH---EEEE--- --------------------EEEEEE-----EEEEEEEE-----
Query: 106 -----LRA--------QLEKELQNGSLFEADFI-LLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNP-- 169
Sbjct: 378 DQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAG 457
----------------HHHHHH---EEEEE-HHHHHHHHHHHH--------EEEEEEEE-----EEEEEEEEE-------
------EE------H HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH------HHHHHHHHHHHHHH
Query: 170 --SSPTPTLFLPSDPPL---AWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTME 244
Sbjct: 458 DLSAAVSQVVLPAKEGVESTIWLLAKAYVIVNDSCYHELMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMN 537
------EEE-----HHHHHHHHHHHHHHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHH------HHHH
HHHHHHHH------ EEEEE-----HHHHHHHHHHHH---------HHHHHH-- ---------H
Query: 245 INTRARTQLISDGG-----IFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRG------------LLGLPGALYA 307
Sbjct: 538 INALARQSLINANGIIETTFL------PSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYA 611
HHHHHHH------HHHHH--- ---HHHHHHHHH---------HHHHHHH---EEE-------EEE-----HHHH
HHHHHHHHHHHHHHHHHHHH----HHHHH--HHHHHHHHHHHHH----------------HHHHHHHHHHHHHHH-HHH-
Query: 308 HDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHA 387
Sbjct: 612 ADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHA 691
HHHHHHHHHHHHHHHH-------HHHHH--HHHHHHHHHHHH-----------------HHHHHHHHHHHHHHH-HHHHH
----------EE----------------- ---HHHHHHH---HHHHHHHHHHHHHH-------EE------ H
Query: 388 AINQGQLDWYAWVPNAPCTMRMPPPTTKE-------DVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKE-K 459
Sbjct: 692 AVNFGQYPYGGLIMNRPTASRRLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPH 771
HH--HHHHH-------------------HHHHHHHH-HHHHHHHH---HHHHHHHHHHHHHH------------------
H---HHHHHHHHHHHHHHHHHHHHHHHH--- ----EEEE-------------
Query: 460 YFSGPKPKAVLNQFRTDLEKLEKEITARNEQ----------LDWPYEYLKPSCIENSVTSDS 511
Sbjct: 772 WTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPS-SEEGLTFRG 832
---HHHHHHHHHHHHHHHHHHHHHHHHHH----HHHH--------------- ---------
478 residues (88.35%) 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: 38.16% helical, 5.85% extended, 55.99% loops/other (query: 46.40% 6.10% 47.50%)
SCOP classification: [All alpha proteins]/[Lipoxigenase]
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.119.1.1.1_A a.119.1.1 76.8.8.7 NONE -144.684 0 1 94.45% 25.64% OPTM -1964.941 -1450.150 14.570 0.598 0.857 0.718 0.964 98.670 -149.1 6.730 199.500 -125.5 25.670 442.500 -615.0 -0.930 -21.440 410.9 1.380 7.420 -121.5 -0.870 -9.110 479.2 8.310 32.460 -94.0 -0.170 -2.480 201.3 19.780 48.060 -201.2 -30.000 18.000 -266.0 -30.000 54.000 -374.0 36.920 1116.500 -796.5 157.010 1304.000 -1357.0 4.640 18.000 -102.0 22.140 194.000 -436.0 5.000 -1.0 -0.054 -8.8 73.000 807.0 5.000 -1.0 0.653 -35.2 0.76 0.83
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-------------------HHHHHHHHHHHHHHHHHHHH-- -HHHHHHHHHHH-------HHHHHHH
Query: 1 MHHHHHHSSGVDLGTENLDFEWTLKAGALEMALKRVYTLLS---SWNCLEDFDQIFWGQKSALAEKVRQC---------- 67
Sbjct: 238 FYVPRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKELY 317
-------------------HHHHHHH-HHHHHHHHHH----------HHHHH------EE--HHHHHHH----------E
HH-HHHHHHHHH-----HHHHHH-----------HHH- --H HHHH
Query: 68 ----------------------WQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEE-----LRA--------QLEK 112
Sbjct: 318 RTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDE 397
E----EEE----------------HHHHHHHHHH-------EE-----------HHHH------------------HHHH
HHH---EEEE--- --------------------EEEEEE-----EEEEEEEE----- ------EE------H
Query: 113 ELQNGSLFEADFI-LLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNP----SSPTPTLFLPSDPPL--- 184
Sbjct: 398 ALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVEST 477
HH---EEEEE-HHHHHHHHHHHH--------EEEEEEEE-----EEEEEEEEE-------------EEE-----HHHHHH
HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH------HHHHHHHHHHHHHHHHHHHHHH------EEEEE-
Query: 185 AWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAV 264
Sbjct: 478 IWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINALARQSLINANG-----I 552
HHHHHHHHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHH------HHHHHHHHHHH------H H
- ---HHHHHHHHHHHH---------HHHHHH-- ---------HHHHHHHHHHHHHHHHHHHHH-
Query: 265 S----TGGGGHVQLLRRAAAQLTYCSLCPPDDLADRG------------LLGLPGALYAHDALRLWEIIARYVEGIVHLF 328
Sbjct: 553 IETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLEIWAAIKTWVQEYVPLY 632
HHH------HHHHHHHHH---------HHHHHHH---EEE-------EEE-----HHHHHHHHHHHHHHHHHHHH-----
---HHHHH--HHHHHHHHHHHHH----------------HHHHHHHHHHHHHHH-HHH-----------EE---------
Query: 329 YQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMR 408
Sbjct: 633 YARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASR 712
--HHHHH--HHHHHHHHHHHH-----------------HHHHHHHHHHHHHHH-HHHHHHH--HHHHH------------
-------- ---HHHHHHH---HHHHHHHHHHHHHH-------EE------ HH---HHHHHHHHHHHHHHHHH
Query: 409 MPPPTTKE-------DVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKE-KYFSGPKPKAVLNQFRTDLEKL 480
Sbjct: 713 RLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQAFQKFGNKLKEI 792
-------HHHHHHHH-HHHHHHHH---HHHHHHHHHHHHHH---------------------HHHHHHHHHHHHHHHHHH
HHHHHHH--- ----EEEE-------------
Query: 481 EKEITARNEQ----------LDWPYEYLKPSCIENSVTSDS 511
Sbjct: 793 EEKLVRRNNDPSLQGNRLGPVQLPYTLLYPS-SEEGLTFRG 832
HHHHHHHH----HHHH--------------- ---------
511 residues (94.45%) of query sequence aligned
DONE: Sun Aug 10 22:15:15 2008 EST