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:Thu Aug 14 00:22:10 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 T0450
--> 561 residues, sequence name: T0450
Database: T:\CBSU\blastdb\20080108\nr
-> 47 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 | 135 | 4 | 28 | 15 | 0 | 0 | 1 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 6.29 | 2.75 | 8.26 | 7.03 |
2 | 6.29 | 0.00 | 7.51 | 8.70 | 7.22 |
3 | 2.75 | 7.51 | 0.00 | 8.68 | 7.32 |
4 | 8.26 | 8.70 | 8.68 | 0.00 | 6.75 |
5 | 7.03 | 7.22 | 7.32 | 6.75 | 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 | 62.98 | 100.00 | 24.94 | 13.58 |
2 | 62.98 | 100.00 | 62.38 | 20.56 | 20.00 |
3 | 100.00 | 62.38 | 100.00 | 24.94 | 13.58 |
4 | 24.94 | 20.56 | 24.94 | 100.00 | 18.80 |
5 | 13.58 | 20.00 | 13.58 | 18.80 | 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 | 99.62 | 100.00 | 97.48 | 71.80 |
2 | 99.62 | 100.00 | 98.11 | 96.19 | 70.26 |
3 | 100.00 | 98.11 | 100.00 | 96.22 | 86.95 |
4 | 97.48 | 96.19 | 96.22 | 100.00 | 87.21 |
5 | 71.80 | 70.26 | 86.95 | 87.21 | 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: 37.21% helical, 19.78% extended, 43.01% loops/other (query: 41.00% 17.65% 41.35%)
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.
2RGO_A not_found 27.27.27.27 NONE -148.617 0 1 96.43% 43.07% OPTM -2135.670 -1812.030 23.264 0.638 0.884 0.954 0.982 198.610 -253.8 43.640 1411.000 -1498.5 61.680 1367.000 -1538.5 5.910 45.900 -88.5 5.810 28.640 -97.8 30.460 251.890 -234.1 64.480 223.360 -252.1 35.270 230.940 -325.5 58.060 242.360 -345.8 -30.000 196.000 -455.0 -30.000 199.000 -464.0 67.460 1912.000 -1726.0 178.400 1707.000 -1760.0 18.670 257.000 -498.0 28.990 234.000 -533.0 5.000 -1.0 -2.887 -6.8 0.000 -9.3e+061 5.000 -1.0 0.380 -1.0 0.82 0.88
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----HHHHHHHHHH----EEEEEE---HHHHHHHHHHHH----EEEEE------------HHHH---HHHH----HHHHH
Query: 1 MFSAKKRDKCIGEMSEKQLDLLVIGGGITGAGIALDAQVRGIQTGLVEMNDFASGTSSRSTKLVHGGLRYLKQFEIKLVA 80
Sbjct: 1 MFSNKTRQDSIQKMQQEELDLLIIGGGITGAGVAVQAAASGIKTGLIEMQDFAEGTSSRSTKLVHGGIRYLKTFDVEVVA 80
---HHHHHHHHHHHHH--EEEEEE---HHHHHHHHHHH-----EEEEE--------------EE-----------HHHHH
HHHHHHHHHHHH--HH-----EEEEE--- --HHHHHHHHHHHHHHHHH------ --EE--HHHHHHHH--------
Query: 81 EVGKERAIVYENAPHVTTPEWMLLPIFKD---GTFGKFSTSLGLKVYDYLADVRKDE-RRYMLNEKQTLEKEPLLRKENL 156
Sbjct: 81 DTVGERAVVQGIAPHIPKPDPMLLPIYEDEGATTFNMFSVKVAMDLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGL 160
HHHHHHHHHHHH-----EE--EEEEEE---------HHHHHHHHHHHHHH----------EEE-HHHHHHH--------E
-EEEEEE-----HHHHHHHHHHHHHH---EEEE--EEEEEEE----EEEEEEEE-----EEEEEEEEEEEE----HHHHH
Query: 157 KGGGIYVEYRTDDARLTLEIMKEAVARGAVALNYMKVESFIYDQGKVVGVVAKDRLTDTTHTIYAKKVVNAAGPWVDTLR 236
Sbjct: 161 KGAGVYLDFRNNDARLVIDNIKKAAEDGAYLVSKMKAVGFLYEGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVR 240
EEEEEE--EE--HHHHHHHHHHHHHH---EEEE-EEEEEEEE----EEEEEEEE----EEEEEEEEEEEE-----HHHHH
HH--- ------EE--EEEEEE----------EEE-- -----EEEEE----EEEEE----------------HHHHHHH
Query: 237 EKDRS-KHGKYLKLSKGVHLVVDQSRFPLRQAVYFDT-ESDGRMIFAIPREGKTYIGTTDTFYDKDIASPRMTVEDRDYI 314
Sbjct: 241 NLNFTRPVSPKMRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRMVFAIPRENKTYFGTTDTDYQGDFTDPKVTQEDVDYL 320
--------------EEEEEEEEE---------EEEE-------EEEEEEE--EEEEE---EE-----------HHHHHHH
HHHHHHHH---------EEEEEEEEEEE------ ----EE--EEEEE----EEEEE---HHHHHHHHHHHHHHHHHH
Query: 315 LAAANYMFPSLNLTADDVESSWAGLRPLIHEEGK---KASEISRKDEIFFSDSGLISIAGGKLTGYRKMAERTVDAVAQG 391
Sbjct: 321 LDVINHRYPEANITLADIEASWAGLRPLLIGNSGSDYNGGTISRGSSLEREPDGLLTLSGGKITDYRKMAEGALRLIRQL 400
HHHHHHH------------EEEEEEE-------------------EEEEE-----EEEEE-----HHHHHHHHHHHHHHH
H- ----------------------HHHHHHHHHHH-------HHHHHHHHHHH--HHHHHHHHHH----------
Query: 392 LN-----VNEPCTTAAIRLSGGLAEGAQGFPRFLDEASRKGAKLGFDADEVRRLAKLYGSNVDHVLNYAYEGKEEAEHYG 466
Sbjct: 401 LKEEYGIETKEIDSKKYQISGGNFDPTK-LEETVTELAKEGVAAGLEEEDATYIADFYGTNARRIFELAKEAP----YPG 475
HHHHH----------------------- HHHHHHHHHHHHH-----HHHHHHHHHHH---HHHHHHHHH--- ---
--HHHHHHHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHH
Query: 467 LPALLLGQLQYGVEQEMVATPLDFFVRRTGALFFNISLVHQWKEAVLRWMAEEFSWTEEEKTRFQNELETELKMA 541
Sbjct: 476 LSLAESARLRYGLEEEMVLAPGDYLIRRTNHLLFERDQLDEIKQPVIDAIAEYFGWTEEEKAQQTKRLEALIAES 550
--HHHHHHHHHHHHH-----HHHHHH----HHHH----HHHHHHHHHHHHHHHH---HHHHHHHHHHHHHHHHHH
541 residues (96.43%) 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: 28.92% helical, 22.49% extended, 48.59% loops/other (query: 41.00% 17.65% 41.35%)
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.
2QCU_A not_found 27.27.27.27 NONE -149.512 0 1 88.95% 29.11% OPTM -1992.820 -1397.610 17.692 0.559 0.675 0.923 0.978 118.590 -170.2 19.090 627.500 -644.0 37.390 681.000 -830.5 -0.180 -0.490 4.9 -0.220 3.580 -96.2 4.230 48.050 32.6 14.670 67.880 -121.9 20.200 90.440 -118.3 42.790 135.480 -248.9 -30.000 131.000 -353.0 -30.000 141.000 -397.0 44.580 1543.000 -1314.0 189.020 1441.000 -1498.0 9.470 129.000 -312.0 20.620 163.000 -446.0 5.000 -1.0 -0.862 -9.1 0.000 -9.3e+061 5.000 -1.0 -0.523 -45.7 0.18 0.66
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-EEEEEE---HHHHHHHHHHHH----EEEEE------------HHHH---HHHH----HHHHHHHHHHHHHHHHH--HH-
Query: 18 QLDLLVIGGGITGAGIALDAQVRGIQTGLVEMNDFASGTSSRSTKLVHGGLRYLKQFEIKLVAEVGKERAIVYENAPHVT 97
Sbjct: 3 TKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIA 82
---EEEE---HHHHHHHHHHHH----EEEE---------------EE-----------HHHHHHHHHHHHHHHHH----E
----EEEEE-----HHHHHHHHHHHHHHHHH--- -----EE--HHHHHHHH---------EEEEEE-----HHHHHHH
Query: 98 TPEWMLLPIFKDGTFGKFSTSLGLKVYDYLADVR--KDERRYMLNEKQTLEKEPLLRKENLKGGGIYVEYRTDDARLTLE 175
Sbjct: 83 FPMRFRLPHRPH-LRPAWMIRIGLFMYDHLGKRTSLPGSTGLRFGAN------SVLKPE-IKRGFEYSDCWVDDARLVLA 154
EEEEEEEE---- ---HHHHHHHHHHHH-----------EEEE---- ------ --EEEEEEEEEE-HHHHHHH
HHHHHHH---EEEE--EEEEEEE----EEEEEEEE-----EEEEEEEEEEEE----HHHHHHH-------- -EE--EEE
Query: 176 IMKEAVARGAVALNYMKVESFIYDQGKVVGVVAKDRLTDTTHTIYAKKVVNAAGPWVDTLREKDRSKHGKY-LKLSKGVH 254
Sbjct: 155 NAQMVVRKGGEVLTRTRATSARRENG-LWIVEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSH 233
HHHHHHH---EEE--EEEEEEEEE-- EEEEEEEE-----EEEEEE--EEE-----HHHHHHHH-----------EEEEE
EEE----------EEE-------EEEEE-- --EEEEE----------------HHHHHHHHHHHHHHH---------EE
Query: 255 LVVDQSRFPLRQAVYFDTESDGRMIFAIPR-EGKTYIGTTDTFYDKDIASPRMTVEDRDYILAAANYMFPSLNLTADDVE 333
Sbjct: 234 IVVPRV--HTQKQAYILQNEDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKK-QLSRDDIV 310
EEEE-- -----EEEEE-----EEEEEEE---EEEEE---EE-----------HHHHHHHHHHHHHH--- --------
EEEEEEEEE----------EE--EEEEE---- EEEEE---HHHHHHHHHHHHHHHHHHH-----------------
Query: 334 SSWAGLRPLIHEEGKKASEISRKDEIFFSDSG----LISIAGGKLTGYRKMAERTVDAVAQGLNVNEPCTTAAIRLSGGL 409
Sbjct: 311 WTYSGVRPLCDDESDSPQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHALEKLTPYYQGIGPAWTKESVLPGGA 390
EEEEEEE-----------------EEEEEEE--EEEEEEEE------HHHHHHHHHHHH---------------------
------HHHHHHHHHHH-------HHHHHHHHHHH--HHHHHHHHHH------------HHHHHHHHHHHHHH----HHH
Query: 410 AEGAQGFPRFLDEASRKGAKLGFDADEVRRLAKLYGSNVDHVLNYAYEGKEEAEHYGLPALLLGQLQYGVEQEMVATPLD 489
Sbjct: 391 IEGDRD--DYAARLRRRYP--FLTESLARHYARTYGSNSELLLGNAGTVSDLGEDFGHE-FYEAELKYLVDHEWVRRADD 465
------ -HHHHHHHH-- ---HHHHHHHHHH----HHHHH---------------- --HHHHHHHHHH-----HHH
HHHHHHHHHH--HHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHH-----
Query: 490 FFVRRTGALFFNISLVHQWKEAVLRWMAEEFSWTEEEKTRFQNELETELKMAVDPLF 546
Sbjct: 466 ALWRRTKQ---------------------GMWLNADQQSRVSQWLVEYTQQRLSLAS 501
HHH----- -----HHHHHHHHHHHHHHHH-------
499 residues (88.95%) 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: 36.40% helical, 17.26% extended, 46.34% loops/other (query: 41.00% 17.65% 41.35%)
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.
2RGH_A not_found 27.27.27.27 NONE -149.611 0 1 95.19% 38.62% OPTM -2047.329 -1649.410 21.716 0.609 0.846 0.958 0.985 172.490 -226.4 39.820 1278.500 -1367.0 56.110 1231.500 -1403.0 1.920 16.350 -46.1 0.620 6.650 -72.9 18.690 158.660 -125.3 36.910 138.600 -168.7 34.730 173.960 -258.1 52.850 180.340 -290.3 -30.000 154.000 -426.0 -30.000 161.000 -439.0 62.110 1768.000 -1570.0 221.730 1545.000 -1600.0 17.450 269.000 -465.0 23.000 233.000 -499.0 5.000 -1.0 -2.577 -7.3 0.000 -9.3e+061 5.000 -1.0 0.114 -1.0 0.79 0.90
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----HHHHHHHHHH----EEEEEE---HHHHHHHHHHHH----EEEEE------------HHHH---HHHH----HHHHH
Query: 1 MFSAKKRDKCIGEMSEKQLDLLVIGGGITGAGIALDAQVRGIQTGLVEMNDFASGTSSRSTKLVHGGLRYLKQFEIKLVA 80
Sbjct: 3 CFSNKTRQDSIQK-QQEELDLLIIGGGITGAGVAVQAAASGIKTGLIEQ-DFAEGTSSRSTKLVHGGIRYLKTFDVEVVA 80
---HHHHHHHHH- ------EEEE---HHHHHHHHHHHH----EEEE-- ------------EE-----------HHHHH
HHHHHHHHHHHH--HH-----EEEEE-----HHHHHHHHHHH HHHHHH------ --EE--HHHHHHHH---------E
Query: 81 EVGKERAIVYENAPHVTTPEWMLLPIFKDGTFGKFSTSLGLK-VYDYLADVRKDE-RRYMLNEKQTLEKEPLLRKENLKG 158
Sbjct: 81 DTVGERAVVQGIAPHIPKPDP-LLPIYEDEGATTFNFSVKVADLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGLKG 159
HHHHHHHHHHHH-----EE-- -EEEE----------HHHH--HHHHHH---------EEE-HHHHHHH--------EEE
EEEEE-----HHHHHHHHHHHHHH---EEEE--EEEEEEE----EEEEEEEE-----EEEEEEEEEEEE----HHHHHHH
Query: 159 GGIYVEYRTDDARLTLEIMKEAVARGAVALNYMKVESFIYDQGKVVGVVAKDRLTDTTHTIYAKKVVNAAGPWVDTLREK 238
Sbjct: 160 AGVYLDFRNNDARLVIDNIKKAAEDGAYLVSK-KAVGFLYEGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVRNL 238
EEE---EE--HHHHHHHHHHHHHH---EEE-- -EEEEEEE--EEEEEEEE------EEEEE---EEE-----HHHHH--
---------EE--EEEEEE----------EEE-------EEEEE----EEEEE----------------HHHHHHHHHHH
Query: 239 DRSKHGKYLKLSKGVHLVVDQSRFPLRQAVYFDTESDGRMIFAIPREGKTYIGTTDTFYDKDIASPRMTVEDRDYILAAA 318
Sbjct: 239 NFTRPVSPKRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRVFAIPRENKTYFGTTDTDYQGDFTDPKVTQEDVDYLLDVI 318
-----------EEEEEEEEE---------EE----------EEEEE--EEEE----EE-----------HHHHHHHHHHH
HHHH---------EEEEEEEEEEE----------EE--EEEEE----EEEEE---HHHH HHHHHHHHHHHHHHH---
Query: 319 NYMFPSLNLTADDVESSWAGLRPLIHEEGKKASEISRKDEIFFSDSGLISIAGGKLTGY---RKMAERTVDAVAQGLNVN 395
Sbjct: 319 NHRYPEANITLADIEASWAGLRPLLI-----------GSSLEREPDGLLTLSGGKITDYRKAEGALRLIRQLLKEEYGIE 387
HHH------------EEEEEEE---- -EEEEE-----EEEEE---------HHHHHHHHHHHHHHH---
--------------------HHHHHHHHHHH-------HHHHHHHHHHH--HHHHHHHHHH------------HHHHHH
Query: 396 -EPCTTAAIRLSGGLAEGAQGFPRFLDEASRKGAKLGFDADEVRRLAKLYGSNVDHVLNYAYEGKEEAEHYGLPALLLGQ 474
Sbjct: 388 TKEIDSKKYQISGGNFDPTK-LEETVTELAKEGVAAGLEEEDATYIADFYGTNARRIFELAKEAP----YPGLSLAESAR 462
-------------------- HHHHHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH--- -----HHHHHH
HHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHH--------
Query: 475 LQYGVEQEMVATPLDFFVRRTGALFFNISLVHQWKEAVLRWMAEEFSWTEEEKTRFQNELETELKMAVDPLFQVE 549
Sbjct: 463 LRYGLEEEVLA-PGDYLIRRTNHLLFERDQLDEIKQPVIDAIAEYFGWTEEEKAQQTKRLEALIAESDLRELKGE 536
HHHHHHH---- HHHHHH----HHHH----HHHHHHHHHHHHHHHH---HHHHHHHHHHHHHHHHHH--------
534 residues (95.19%) 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: 30.29% helical, 24.13% extended, 45.58% loops/other (query: 41.00% 17.65% 41.35%)
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.
1Y56_B not_found 27.27.27.27 NONE -149.788 0 1 66.67% 16.88% OPTM -998.663 -737.940 3.674 0.503 0.678 0.906 0.961 60.830 -100.8 1.750 59.500 252.0 4.010 61.000 -185.5 0.870 6.380 137.0 -0.480 1.840 -66.4 0.610 8.700 227.6 -0.270 4.970 -35.7 11.840 40.610 90.4 21.830 41.520 -125.0 -30.000 46.000 -152.0 -30.000 89.000 -308.0 5.900 152.000 206.0 24.070 215.000 -277.0 0.250 41.000 85.0 9.770 58.000 -276.0 5.000 -12.1 0.197 -11.0 0.000 -9.3e+061 5.000 -12.0 0.279 -2.7 0.09 0.66
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----EEEEEE---HHHHHHHHHHHH----EEEEE------------HHHH---HHHH---- HHHHHHHHHHHHHHH
Query: 15 SEKQLDLLVIGGGITGAGIALDAQVRGIQTGLVEMNDFASGTSSRSTKLVHGGLRYLKQFE----IKLVAEVGKERAIVY 90
Sbjct: 2 LPEKSEIVVIGGGIVGVTIAHELAKRGEEVTVIEKRFIGSG----STFRCGTGIR--QQFNDEANVRVMKRSVELWKKYS 75
------EEEE---HHHHHHHHHHHH----EEEE-------- HHHH------ -----HHHHHHHHHHHHHHHHHH
HH--HH-----EEEEE-----HHHHHHHHHHHHHHHHH--------EE--HHHHHHHH---------EEEEE E-----H
Query: 91 ENAPHVTTPEWMLLPIFKDGTFGKFSTSLGLKVYDYLADVRKDERRYMLNEKQTLEKEPLLRKENLKGGGIY-VEYRTDD 169
Sbjct: 76 EEYGFSFKQTGYLFLLYDDEEVKTFKRNIEIQNKF---GV----PTKLITPEEAKEIVPLLDISEVIAASWNPTDGKADP 148
HHH---EE---EEEEE--HHHHHHHHHHHHHHHH- -- --EEE-HHHHHH-----------EEEEE----EE-H
HHHHHHHHHHHHH---EEEE--EEEEEEE----EEEEEEEE-----EEEEEEEEEEEE----HHHHHHH---------EE
Query: 170 ARLTLEIMKEAVARGAVALNYMKVESFIYDQGKVVGVVAKDRLTDTTHTIYAKKVVNAAGPWVDTLREKDRSKHGKYLKL 249
Sbjct: 149 FEATTAFAVKAKEYGAKLLEYTEVKGFLIENNEIKGVKTNK------GIIKTGIVVNATNAWANLINAMAGIKTKIPIEP 222
HHHHHHHHHHHHH---EEE----EEEEEE----EEEEEE-- EEEE--EEEE-----HHHHHHHH--------EE
--EEEEEE----------EEE-------EEEEE----EEEEE----------------HHHHHHHHHHHHHHH-------
Query: 250 SKGVHLVVDQSRFPLRQAVYFDTESDGRMIFAIPREGKTYIGTTDTFYDKDIASPRMTVEDRDYILAAANYMFPSLNLTA 329
Sbjct: 223 YKHQAVITQPIKRGTINPMVISFK-YGHAYLTQTFHGGIIGGIGYEIGPTYDLTP--TYEFLREVSYYFTKIIPALKNLL 299
EEEEEEEE----------EEEE-- ---EEEE-------EEE------------- -HHHHHHHHHHHHHH--------
--EEEEEEEEEEE----------EE--EEEEE--- -EEEEE--- HHHHHHHHHHHHHHHHHHH------- ----
Query: 330 DDVESSWAGLRPLIHEEGKKASEISRKDEIFFSDS--GLISIAGGK---LTGYRKMAERTVDAVAQGLNVNEPCT-TAAI 403
Sbjct: 300 --ILRTWAGYYAKTPDSN---------PAIGRIEELNDYYIAAGFSGHGFMMAPAVGEMVAELITKG-KTKLPVEWYDPY 367
EEEEEEEEEEE----- -EEEEE-----EEEEE-----HHHHHHHHHHHHHHHHHH- ------------
--------
Query: 404 RLSGGLAE 411
Sbjct: 368 RFERGELR 375
--------
374 residues (66.67%) 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: 28.65% helical, 26.72% extended, 44.63% loops/other (query: 41.00% 17.65% 41.35%)
SCOP classification: [Alpha and beta proteins (a/b)]/[FAD/NAD(P)-binding domain]
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.
1NG3_A c.3.1.2 198.23.23.3 NONE -150.152 0 1 64.88% 17.23% OPTM -1076.662 -927.080 3.409 0.550 0.686 0.829 0.870 53.260 -98.7 2.980 25.500 230.0 10.590 131.000 -281.5 -0.490 1.380 146.1 -0.990 2.550 -78.6 -0.350 -3.030 234.6 -1.090 -1.570 -47.5 11.310 16.720 109.8 17.390 36.120 -119.3 -30.000 18.000 -111.0 -30.000 68.000 -264.0 8.370 187.000 182.0 22.380 225.000 -289.0 -0.700 24.000 150.0 10.350 64.000 -253.0 5.000 -9.7 0.001 -11.1 0.000 -9.3e+061 5.000 -9.5 0.415 -4.0 0.12 0.57
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
----EEEEEE---HHHHHHHHHHHH----EEEEE------------HHHH---HHHH---- HHHHHHHHHHHHHH
Query: 15 SEKQLDLLVIGGGITGAGIALDAQVRGIQTGLVEMNDFASGTSSRSTKLVHGGLRYLKQFE-----IKLVAEVGKERAIV 89
Sbjct: 1 MKRHYEAVVIGGGIIGSAIAYYLAKENKNTALFESGT----MGGRTTSAAAGMLGAHAECEERDAFFDFAMHSQRLYKGL 76
---EEEEEEE---HHHHHHHHHHHH----EEEE---- ----HHHH---------------HHHHHHHHHHHH---H
HHH--HH----- EEEEE-----HHHHHHHHHHHHHHHHH--------EE--HHHHHHHH---------EEEEEE-
Query: 90 YENAPHVTTPEW-----MLLPIFKDGTFGKFSTSLGLKVYDYLADVRKDERRYMLNEKQTLEKEPLLRKENLKGGGIYVE 164
Sbjct: 77 GEELYALSGVDIRQHNGGMFKLAFS-----------EEDVLQLRQMDDLDSVSWYSKEEVLEKEPYASGDIFGASFIQDD 145
HHHHHHHH----------EEEE--- HHHHHHHH-------EEEE-HHHHHHH----------EEEE---
----HHHHHHHHHHHHHH---EEEE--EEEEEEE----EEEEEEEE-----EEEEEEEEEEEE----HHHHHHH------
Query: 165 YRTDDARLTLEIMKEAVARGAVALNYMKVESFIYDQGKVVGVVAKDRLTDTTHTIYAKKVVNAAGPWVDTLREKDRSKHG 244
Sbjct: 146 VHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERDGE---ALFIKTPS----GDVWANHVVVASGVWSGMFFKQLGLNNA 218
----HHHHHHHHHHHHHH---EEE------EEEE--- -EEEEE-- EEEEEEEEEE------HHHHHH------
---EE--EEEEEE----------EEE-------EEEEE----EEEEE----------------HHHHHHHHHHHHHHH--
Query: 245 KYLKLSKGVHLVVDQSRFPLRQAVYFDTESDGRMIFAIPREGKTYIGTTDTFYDKDIASPRMTVEDRDYILAAANYMFPS 324
Sbjct: 219 --FLPVKGECLSVWNDDIPLTKTLYHDH-----CYIVPRKSGRLVVGATMKPGD---WSETPDLGGLESVMKKAKTMLP- 287
-EEEEEEEEEEE--------EEEE-- EEEEE----EEEEE---EE-- ------HHHHHHHHHHHHHH--
-------EEEEEEEEEEE----------EE--EEEEE-- --EEEEE--- HHHHHHHHHHHH HHHHH
Query: 325 LNLTADDVESSWAGLRPLIHEEGKKASEISRKDEIFFSD--SGLISIAGGK------LTGYRKMAERTV------DAVAQ 390
Sbjct: 288 -PIQNMKVDRFWAGLRPGTKD---------GKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEVNQDWLH 357
-----EEEEEEEEEEEE--- ---EEEEE--EEEEEEEE---------HHHHHHHHHHHH------HHHHH
HH-----
Query: 391 GLNVNEP 397
Sbjct: 358 AFRIDRK 364
H------
364 residues (64.88%) of query sequence aligned
DONE: Thu Aug 14 13:01:44 2008 EST