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 07:22:38 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 T0431
--> 491 residues, sequence name: T0431
Database: T:\CBSU\blastdb\20080108\nr
-> 19 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 | 80 | 51 | 12 | 0 | 4 | 3 | 13 | 4 |
1 | 2 | 3 | 4 | 5 | |
1 | 0.00 | 8.96 | 8.94 | 8.61 | 6.80 |
2 | 8.96 | 0.00 | 10.27 | 8.36 | 9.76 |
3 | 8.94 | 10.27 | 0.00 | 8.54 | 6.98 |
4 | 8.61 | 8.36 | 8.54 | 0.00 | 8.08 |
5 | 6.80 | 9.76 | 6.98 | 8.08 | 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 | 15.90 | 41.00 | 15.76 | 41.00 |
2 | 15.90 | 100.00 | 16.11 | 18.07 | 16.32 |
3 | 41.00 | 16.11 | 100.00 | 15.76 | 43.54 |
4 | 15.76 | 18.07 | 15.76 | 100.00 | 16.18 |
5 | 41.00 | 16.32 | 43.54 | 16.18 | 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 | 35.56 | 43.72 | 45.17 | 80.75 |
2 | 35.56 | 100.00 | 59.41 | 47.69 | 59.00 |
3 | 43.72 | 59.41 | 100.00 | 65.34 | 81.46 |
4 | 45.17 | 47.69 | 65.34 | 100.00 | 81.30 |
5 | 80.75 | 59.00 | 81.46 | 81.30 | 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: 45.62% helical, 12.13% extended, 42.25% loops/other (query: 48.07% 9.37% 42.57%)
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.
3B98_A not_found 86.86.86.86 NONE -130.362 0 1 90.84% 31.17% OPTM -1853.897 -1106.190 14.415 0.597 0.716 0.889 0.952 114.090 -160.8 27.690 815.500 -878.0 38.140 790.500 -935.5 2.960 2.310 -49.1 0.700 -2.310 -95.3 18.130 118.640 -95.6 22.430 102.710 -152.5 25.590 124.330 -181.6 31.030 109.770 -221.2 -30.000 113.000 -311.0 -30.000 83.000 -321.0 50.460 1175.000 -1151.0 102.740 1119.000 -1205.0 10.330 159.000 -266.0 14.750 144.000 -305.0 5.000 -1.0 -1.122 -9.5 0.000 -9.3e+061 5.000 -1.0 -0.721 -71.0 0.51 0.90
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---------------HHHHHHHHHH--HHHHHHHHHHH---EEEEEE---EEEEE--HHHHHHHHH----------
Query: 8 RRRQTGEPPLENGLIPYLGCALQFGANPLEFLRANQRKHGHVFTCKLMGKYVHFITNPLSYHKVLCHGKYFDWKKF---- 83
Sbjct: 22 RTRRRNEPPLDKGMIPWLGHALEFGKDAAKFLTRMKEKHGDIFTVRAAGLYITVLLDSNCYDAVLSDVASLDQTSYAQVL 101
---------EE---------HHHHHH-HHHHHHHHHHHH--EEEEEE--EEEEEE-----HHHHH-----EE-HHHHHHH
-----EEEE---EEE----HHHHHHHHHHHHHH-HHHHHHHHHHHHHHHHHHHHHHHH---------HHHHHHHHHH
Query: 84 ---HFATSAKAFGHRSIDPMDGNTTENINDTFIKTLQGHALNSLTESMMENLQRIMRPPVSSNSKTAAWVTEGMYSFCYR 160
Sbjct: 102 MKRIFNM-----------ILPSHNPESEKKRAEMHFQGASLTQLSNSMQNNLRLLMTPS-EMGLKTSEWKKDGLFNLCYS 169
HHH---- ------HHHHHHHHHHH--HHHHHHHHHHHHHHHHHH---- ---------EEEEHHHHHHH
HHHHHHHHHHH--------HHHHHHHHHHHHHHHHHHHHHHHHH- --HHHHHHHHHHHHHHHHHHHHHHHH----H HH
Query: 161 VMFEAGYLTIFGRDLTRRDTQKAHILNNLDNFKQFDKVFPALVAG-LPIHMFRTAHNAREKLAESLRHENLQKRESI-SE 238
Sbjct: 170 LLFKTGYLTVFGAENNN----SAALTQIYEEFRRFDKLLPKLARTTVNKEEKQIASAAREKLWKWLTPSGLDRKPREQSW 245
HHHHHHHHHHH------ HHHHHHHHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHH-------------H
HHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHHHHHHH--------------
Query: 239 LISLRMFLNDTLSTFDDLEKAKTHLVVLWASQANTIPATFWSLFQMIRNPEAMKAATEEVKRTLENAGQKVSLEGNPICL 318
Sbjct: 246 LGSYVKQLQDEG--IDAEMQRRAMLLQLWVTQGNAGPAAFWVMGYLLTHPEALRAVREEIQN------------------ 305
HHHHHHHHHH-- --HHHHHHHHHHHHHHHH--HHHHHHHHHHHHH--HHHHHHHHHHH--
-HHHHHH--HHHHHHHHHHH--------HEE----EEEE--- -EEE----EEEEEHHHH-- -------HH--------
Query: 319 SQAELNDLPVLDSIIKESLRLSSASLNIRTAKEDFTLHLEDG-SYNIRKDDIIALYPQLMHL-DPEIYPDPLTFKYDRYL 396
Sbjct: 306 -------TPVFDSVLWETLRLTAAALITRDVTQDKKICLSNGQEYHLRRGDRLCVFPFISPQMDPQIHQQPEMFQFDRFL 378
-HHHHHHHHHHHHHHEEE-EEEEE---EEEE-----EEEE----EEEE-------------------------
-------------------EEEE---------HHHHHHHHHHHHHHHHHHH-----------------------------
Query: 397 DENGKTKTTFYCNGLKLKYYYMPFGSGATICPGRLFAIHEIKQFLILMLSYFELELIEGQAKCPPLDQSRAGLGILPPLN 476
Sbjct: 379 NADRTEKKDFFKNGARVKYPSVPWGTEDNLCPGRHFAVHAIKELVFTILTRFDVELCDKNATVPLVDPSRYGFGILQPAG 458
---------------------------------HHHHHHHHHHHHHHHHHHEEEEE----------------EEE-----
--EEEEEE-
Query: 477 DIEFKYKFK 485
Sbjct: 459 DLEIRYRIR 467
--EEEEEE-
446 residues (90.84%) 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: 47.90% helical, 11.45% extended, 40.65% loops/other (query: 48.07% 9.37% 42.57%)
SCOP classification: [All alpha proteins]/[Cytochrome P450]
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.104.1.1.4_A a.104.1.1 160.30.30.30 NONE -130.450 0 1 87.37% 18.54% OPTM -1646.396 -1103.080 8.408 0.520 0.706 0.845 0.943 81.850 -123.9 9.770 246.500 -279.5 12.960 195.500 -344.0 2.540 15.650 -33.3 0.550 -5.120 -83.3 3.990 27.740 11.6 3.040 9.310 -52.2 14.700 62.930 -109.3 13.940 23.630 -142.8 -30.000 111.000 -305.0 -30.000 84.000 -316.0 22.900 609.000 -507.0 66.040 498.000 -566.0 9.550 166.000 -239.0 11.730 104.000 -293.0 5.000 -67.3 0.066 -11.3 0.000 -9.3e+061 5.000 -67.3 0.857 -17.5 0.56 0.96
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-----------------HHHHHHHHHH--HHHHHHHHHHH---EEEEEE---EEEEE--HHHHHHHHH---- -------
Query: 6 SSRRRQTGEPPLENGLIPYLGCALQFGANPLEFLRANQRKHGHVFTCKLMGKYVHFITNPLSYHKVLCHGKY-FDWKKFH 84
Sbjct: 2 SAVALPRVSGGHDEH-----GHLEEFRTDPIGLMQRVRDELGDVGTFQLAGKQVVLLSGSHANEFFFRAGDDDLDQAKAY 76
--------------- --HHHH---HHHHHHHHHHHH--EEEEEE--EEEEEE--HHHHHHHHH-----EE-----
----EEEE---EEE----HHHHHHHHHHHHHH-HHHHHHHHHHHHHHHHHHHHHHHH---------HHHHHHHHHHHHHH
Query: 85 FATSAKAFGHRSIDPMDGNTTENINDTFIKTLQGHALNSLTESMMENLQRIMRPPVSSNSKTAAWVTEGMYSFCYRVMFE 164
Sbjct: 77 --------------PF----MTPIFGMLHNAALR---GEQMKGHAATIEDQVRRMIADWGEAGEID---LLDFFAELTIY 132
-- HHHHH--HHHHH-- HHHHHHHHHHHHHHHHHHH-----EEEEE HHHHHHHHHHH
HHHHHHH--------HHHHHHHHHHHHHHHHHHHHHHHHH- --HHHHHHHHHHHHHHHHHHHHHHHH---
Query: 165 AGYLTIFGRDLTRRDTQKAHILNNLDNFKQFDKVFPALVAG----------LPIHMFRTAHNAREKLAESLRHENLQKRE 234
Sbjct: 133 TSSACLIG----------KKFRDQLD--GRFAKLYHELERGTDPLAYVDPYLPIESFRRRDEARNGLVALVADIMNGRIA 200
HHHHHH-- HHHH---- HHHHHHHHHHH---------------HHHHHHHHHHHHHHHHHHHHHHHHHH
-HHHHHHHHHHHH----- --HHHHHHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHHHHHHH------
Query: 235 SISELISLRMFLNDTLST----FDDLEKAKTHLVVLWASQANTIPATFWSLFQMIRNPEAMKAATEEVKRTLENAGQKVS 310
Sbjct: 201 NPSDRDMLDVLIAVKAETGTPRFSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGD-GRSVS 279
------HHHHHHH-----------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH-HHHHHHHHHHHHHHH-- ---HH
---------HHHHHH--HHHHHHHHHHH---- ----HEE----EEEE----EEE----EEEEEHHHH---------HH-
Query: 311 LEGNPICLSQAELNDLPVLDSIIKESLRLSSA-SLNIRTAKEDFTLHLEDGSYNIRKDDIIALYPQLMHLDPEIYPDPLT 389
Sbjct: 280 FHALR---------QIPQLENVLKETLRLHPPLIILMRVAKGE--FEVQG--HRIHEGDLVAASPAISNRIPEDFPDPHD 346
HH--- --HHHHHHHHHHHHH------EEEEE--- EEE-- EEE----EEEE-HHHH------------
--------------------------EEEE---------HHHHHHHHHHHHHHHHHHH----------------------
Query: 390 FKYDRYLDENGKTKTTFYCNGLKLKYYYMPFGSGATICPGRLFAIHEIKQFLILMLSYFELELIEGQAKCPPLDQSRAGL 469
Sbjct: 347 FVPARYEQPRQE--------DLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMAQ-PPESYRNDHSKMVV 417
------------ --------------------HHHHHHHHHHHHHHHHHHEEEEE-- ------EE------
---------EEEEEE-
Query: 470 GILPPLNDIEFKYKFK 485
Sbjct: 418 QLAQP---AAVRYRRR 430
EE--- -EEEEEE-
429 residues (87.37%) 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: 49.36% helical, 11.91% extended, 38.72% loops/other (query: 48.07% 9.37% 42.57%)
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.
2IAG_A not_found 86.86.86.86 NONE -130.530 0 1 95.93% 32.50% OPTM -2002.757 -1130.800 16.574 0.544 0.780 0.854 0.869 130.460 -172.9 27.650 874.500 -931.5 49.810 824.000 -982.0 3.520 8.010 -75.5 3.260 1.840 -98.7 16.230 121.230 -118.9 27.750 114.150 -156.3 27.510 138.430 -211.0 36.160 123.230 -237.1 -30.000 118.000 -347.0 -30.000 97.000 -355.0 46.780 1322.000 -1282.0 134.140 1256.000 -1325.0 12.680 160.000 -329.0 17.620 167.000 -370.0 5.000 -1.0 -0.019 -11.1 0.000 -9.3e+061 5.000 -1.0 -1.292 -71.2 0.55 0.92
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---------------HHHHHHHHHH--HHHHHHHHHHH---EEEEEE---EEEEE--HHHHHHHHH----
Query: 8 RRRQTGEPPLENGLIPYLGCALQFGANPLEFLRANQRKHGHVFTCKLMGKYVHFITNPLSYHKVLCHGKY---------- 77
Sbjct: 23 RTRRPGEPPLDLGSIPWLGYALDFGKDAASFLTRMKEKHGDIFTILVGGRYVTVLLDPHSYDAVVWEPRTRLDFHAYAIF 102
---------EE---------HHHHHH-HHHHHHHHHHHH--EEEEEE--EEEEEE------HHHH------EE-HHHHHH
-----------EEEE---EEE----HHHHHHHHHHHHHH-HHHHHHHHHHHHHHHHHHHHHHHH---------HH
Query: 78 -----FDWKKFHFATSAKAFGHRSIDPMDGNTTENINDTFIKTLQGHALNSLTESMMENLQRIMRPPVSSNSKTAAWVTE 152
Sbjct: 103 LMERIFDVQLPHYS------------------PSDEKARMKLTLLHRELQALTEAMYTNLHAVLLGDATEAGSG--WHEM 162
HHHHHH-------- HHHHHHHHHH---HHHHHHHHHHHHHHHHHHHHHHHHHH--- -EEE
HHHHHHHHHHHHHHHHHHH-------- HHHHHHHHHHHHHHHHHHHHHHHHH- --HHHHHHHHHHHHHHHHHHH
Query: 153 GMYSFCYRVMFEAGYLTIFGRDLTRRD-----TQKAHILNNLDNFKQFDKVFPALVAG-LPIHMFRTAHNAREKLAESLR 226
Sbjct: 163 GLLDFSYSFLLRAGYLTLYGIEALPRTHESQAQDRVHSADVFHTFRQLDRLLPKLARGSLSVGDKDHMCSVKSRLWKLLS 242
EHHHHHHHHHHHHHHHHHH--------HHHHHHHHHHHHHHHHHHHHHHH-HHHHHH----HHHHHHHHHHHHHHHHH--
HHHHH----HHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHHHHHHH--
Query: 227 HENLQKRESISELISLRMFLNDTLSTFDDLEKAKTHLVVLWASQANTIPATFWSLFQMIRNPEAMKAATEEVKRTLENAG 306
Sbjct: 243 PARLARRAHRSKWLESYLLHLEEMG-VSEEMQARALVLQLWATQGNMGPAAFWLLLFLLKNPEALAAVRGELESILWQTT 321
HHHH-------HHHHHHHHHHHH-- --HHHHHHHHHHHHHHHH--HHHHHHHHHHHHHH-HHHHHHHHHHHHHHH----
-------------HHHHHH--HHHHHHHHHHH--------HEE----EEEE--- -EEE----EEEEEHHHH-- -----
Query: 307 QKVSLEGNPICLSQAELNDLPVLDSIIKESLRLSSASLNIRTAKEDFTLHLEDG-SYNIRKDDIIALYPQLMHL-DPEIY 384
Sbjct: 322 -----------LPQKVLDSTPVLDSVLSESLRLTAAPFITREVVVDLAMPMADGREFNLRRGDRLLLFPFLSPQRDPEIY 390
--HHHHH--HHHHHHHHHHHHHH----EEEEE---EEEE-----EEEE----EEEE-------------
--HH---------------------------EEEE---------HHHHHHHHHHHHHHHHHHH-----------------
Query: 385 PDPLTFKYDRYLDENGKTKTTFYCNGLKLKYYYMPFGSGATICPGRLFAIHEIKQFLILMLSYFELELIEGQAKCPPLDQ 464
Sbjct: 391 TDPEVFKYNRFLNPDGSEKKDFYKDGKRLKNYNMPWGAGHNHCLGRSYAVNSIKQFVFLVLVHLDLELINADVEIPEFDL 470
----------------------EE--EE--------EE--EE---HHHHHHHHHHHHHHHHHHEEEEE------------
--------------EEEEEE---
Query: 465 SRAGLGILPPLNDIEFKYKFKHH 487
Sbjct: 471 SRYGFGLMQPEHDVPVRYRIRPH 493
--------------EEEEEE---
471 residues (95.93%) 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: 48.39% helical, 11.98% extended, 39.63% loops/other (query: 48.07% 9.37% 42.57%)
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.
2VE3_A not_found 86.86.86.86 NONE -130.532 0 1 88.59% 18.91% OPTM -1582.405 -934.480 7.896 0.572 0.777 0.867 0.947 83.220 -125.0 11.580 247.500 -339.0 15.730 249.500 -403.0 2.830 28.110 -40.2 1.530 9.150 -95.5 5.360 41.590 4.7 4.190 18.960 -70.6 17.220 71.680 -119.5 16.140 44.740 -157.1 -30.000 99.000 -307.0 -30.000 79.000 -318.0 19.770 492.000 -405.0 42.100 426.000 -488.0 10.250 183.000 -291.0 15.270 130.000 -334.0 5.000 -67.4 -1.229 -14.7 0.000 -9.3e+061 5.000 -67.3 -0.638 -15.0 0.41 0.94
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
-------------HHHHHHHHHH--HHHHHHHHHHH---EEEEEE---EEEEE--HHHHHHHHH---------------E
Query: 10 RQTGEPPLENGLIPYLGCALQFGANPLEFLRANQRKHGHVFTCKLMGKYVHFITNPLSYHKVLCHGKYFDWKKFHFATSA 89
Sbjct: 9 NSLPIPPGDFG-LPWLGETLNFLNDG-DFGKKRQQQFGPIFKTRLFGKNVIFISGALANRFLFTKEQ----------ETF 76
----------- ------HHHHHH-- -HHHHHHHHH---EEEEE--EEEEEE--HHHHHHH----- --E
EEE-- -EEE----HHHHHHHHHHHHHH-HHHHHHHHHHHHHHHHHHHHHHHH---------HHHHHHHHHH
Query: 90 KAFGH---------RSIDPMDGNTTENINDTFIKTLQGHALNSLTESMMENLQRIMRPPVSSNSKTAAWVTEGMYSFCYR 160
Sbjct: 77 QATWPLSTRILLGPNALATQMGEIHRSRRKILYQAFLPRTLDSYLPKMDGIVQGYLEQWGKANE----VI---WYPQLRR 149
EEE--HHHHHHH---------HHHHHHHHHHHH----HHHHH--HHHHHHHHHHHHHHHHH--E EE HHHHHHH
HHHHHHHHHHH--------HHHHHHHHHHHHHHHHHHHHHHHHH---HHHHHHHHHHHHHHHHHHH HHHHH----HH
Query: 161 VMFEAGYLTIFGRDLTRRDTQKAHILNNLDNFKQFDKVFPALVAGLPIHMFRTAHNAREKLAESLR---HENLQKRESIS 237
Sbjct: 150 MTFDVAATLFMG-------EKVSQNPQLFPWFETYIQGLFSLPIPLPNTLFGKSQRARALLLAELEKIIKARQQQPPSEE 222
HHHHHHHHHH-- HHHH----HHHHHHHHHHHH----------HHHHHHHHHHHHHHHHHHHHHHHH-------
HHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHHHHHHH-------------
Query: 238 ELISLRMFLNDTLSTFDDLEKAKTHLVVLWASQANTIPATFWSLFQMIRNPEAMKAATEEVKRTLENAGQKVSLEGNPIC 317
Sbjct: 223 DALGILLAARDDNNQPLSLPELKDQILLLLFAGHETLTSALSSFCLLLGQH---SDIRERVRQEQNKL--QLSQE----- 292
-HHHHHHH----------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH- HHHHHHHHHHHH-- -----
--HHHHHH--HHHHHHHHHHH- -------HEE----EEEE----EEE----EEEEEHHHH---------HH--------
Query: 318 LSQAELNDLPVLDSIIKESLRL-SSASLNIRTAKEDFTLHLEDGSYNIRKDDIIALYPQLMHLDPEIYPDPLTFKYDRYL 396
Sbjct: 293 LTAETLKKMPYLDQVLQEVLRLIPPVGGGFRELIQD--CQFQG--FHFPKGWLVSYQISQTHADPDLYPDPEKFDPERFT 368
--HHHH---HHHHHHHHHHHHH-----EEEEEE--- EEE-- EEE----EEEEEHHHH-------------------
-------------------EEEE---------HHHHHHHHHHHHHHHHHHH-----------------------------
Query: 397 DENGKTKTTFYCNGLKLKYYYMPFGSGATICPGRLFAIHEIKQFLILMLSYFELELIEGQAKCPPLDQSRAGLGILPPLN 476
Sbjct: 369 PDGSATHNPPFAH--------VPFGGGLRECLGKEFARLEMKLFATRLIQQFDWTLLPGQ------NLELVVTPSPRPKD 434
------------- ------------HHHHHHHHHHHHHHHHHHEEEEE---- ---EEE---EEE--
--EEEEEE-
Query: 477 DIEFKYKFK 485
Sbjct: 435 NLRVKLHSL 443
--EEEEEE-
435 residues (88.59%) 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: 48.72% helical, 11.97% extended, 39.32% loops/other (query: 48.07% 9.37% 42.57%)
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.
3B6H_A not_found 86.86.86.86 NONE -130.723 0 1 95.52% 32.29% OPTM -1914.225 -1166.700 16.258 0.603 0.740 0.881 0.900 129.300 -172.5 27.840 872.000 -935.5 48.180 814.000 -980.5 3.480 15.240 -70.1 1.600 6.420 -95.7 21.010 133.980 -126.8 24.230 117.820 -162.6 27.880 154.160 -223.4 36.330 136.670 -247.8 -30.000 121.000 -348.0 -30.000 101.000 -356.0 44.650 1294.000 -1261.0 133.010 1231.000 -1305.0 11.890 163.000 -330.0 16.430 179.000 -373.0 5.000 -1.0 -0.021 -11.1 0.000 -9.3e+061 5.000 -1.0 -1.310 -69.5 0.54 0.94
alignment source: OPTM
+++ there is a problem with all-atom model, click here for details
---------------HHHHHHHHHH--HHHHHHHHHHH---EEEEEE---EEEEE--HHHHHHHHH----
Query: 8 RRRQTGEPPLENGLIPYLGCALQFGANPLEFLRANQRKHGHVFTCKLMGKYVHFITNPLSYHKVLCHGKY---------- 77
Sbjct: 23 RTRRPGEPPLDLGSIPWLGYALDFGKDAASFLTRMKEKHGDIFTILVGGRYVTVLLDPHSYDAVVWEPRTRLDFHAYAIF 102
---------EE---------HHHHHH-HHHHHHHHHHHH--EEEEEE--EEEEEE-----HHHHH------EE--HHHHH
-----------EEEE---EEE----HHHHHHHHHHHHHH-HHHHHHHHHHHHHHHHHHHHHHHH---------HH
Query: 78 -----FDWKKFHFATSAKAFGHRSIDPMDGNTTENINDTFIKTLQGHALNSLTESMMENLQRIMRPPVSSNSKTAAWVTE 152
Sbjct: 103 LMERIFDVQLPHYS------------------PSDEKARMKLTLLHRELQALTEAMYTNLHAVLLGDATEAGSG--WHEM 162
HHHH---------- HHHHHHHHH----HHHHHHHHHHHHHHHHHHHHHHHHHH--- -EEE
HHHHHHHHHHHHHHHHHHH-------- HHHHHHHHHHHHHHHHHHHHHHHHH- --HHHHHHHHHHHHHHHHHHH
Query: 153 GMYSFCYRVMFEAGYLTIFGRDLTRRD-----TQKAHILNNLDNFKQFDKVFPALVAG-LPIHMFRTAHNAREKLAESLR 226
Sbjct: 163 GLLDFSYSFLLRAGYLTLYGIEALPRTHESQAQDRVHSADVFHTFRQLDRLLPKLARGSLSVGDKDHMCSVKSRLWKLLS 242
EHHHHHHHHHHHHHHHHHH--------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHH--
HHHHH----HHHHHHHHHHHH-------HHHHHHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHHHHHHH--
Query: 227 HENLQKRESISELISLRMFLNDTLSTFDDLEKAKTHLVVLWASQANTIPATFWSLFQMIRNPEAMKAATEEVKRTLENAG 306
Sbjct: 243 PARLARRAHRSKWLESYLLHLEEMG-VSEEMQARALVLQLWATQGNMGPAAFWLLLFLLKNPEALAAVRGELESILWQLP 321
HHHH-------HHHHHHHHHHHH-- --HHHHHHHHHHHHHHHH--HHHHHHHHHHHHH--HHHHHHHHHHHHHHHH---
-------------HHHHHH--HHHHHHHHHHH--------HEE----EEEE--- -EEE----EEEEEHHHH-- -----
Query: 307 QKVSLEGNPICLSQAELNDLPVLDSIIKESLRLSSASLNIRTAKEDFTLHLEDG-SYNIRKDDIIALYPQLMHL-DPEIY 384
Sbjct: 322 Q-------------KVLDSTPVLDSVLSESLRLTAAPFITREVVVDLAMPMADGREFNLRRGDRLLLFPFLSPQRDPEIY 388
- HHHH--HHHHHHHHHHHHHH----EEEEE---EEEE-----EEEE----EEEE-------------
--HH---------------------------EEEE---------HHHHHHHHHHHHHHHHHHH-----------------
Query: 385 PDPLTFKYDRYLDENGKTKTTFYCNGLKLKYYYMPFGSGATICPGRLFAIHEIKQFLILMLSYFELELIEGQAKCPPLDQ 464
Sbjct: 389 TDPEVFKYNRFLNPDGSEKKDFYKDGKRLKNYNMPWGAGHNHCLGRSYAVNSIKQFVFLVLVHLDLELINADVEIPEFDL 468
----------------------EE--EE--------EE--EE---HHHHHHHHHHHHHHHHH-EEEEE------------
--------------EEEEEE---
Query: 465 SRAGLGILPPLNDIEFKYKFKHH 487
Sbjct: 469 SRYGFGLMQPEHDVPVRYRIRPH 491
--------------EEEEEE---
469 residues (95.52%) of query sequence aligned
DONE: Thu Aug 14 17:25:18 2008 EST