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I-TASSER results for job id S34346

  Submitted Sequence

>NTTb
MAAYGIVESPDNVDYKTKCCCQTTDGVYFQVPKEYFRLHANLSRRKLLIAEPFGVPLDSS
AFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100
                   |                   |                   |                   |                   |                   
MAAYGIVESPDNVDYKTKCCCQTTDGVYFQVPKEYFRLHANLSRRKLLIAEPFGVPLDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW
PredictionCCCCCCCCCCCCCCCCCCSSSSCCCCCCSCCCHHHHHHCHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHCCHHHCSCCCSSCCCCCCCCHHHHHHHHHHHHHHHHHSSCCCCC
Conf.Score9765666883313433432344377501108799986463366554210378788754568899999999875313656023524405888737689998878888676732464139

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-2.55
 C-score=-4.15
 C-score=-4.20
 C-score=-5
 C-score=-5
 
Estimated accuracy of Model1: 0.42±0.14 (TM-score)    9.9±4.6Å (RMSD)    (Read more about C-score of generated models)

  Top 10 templates used by I-TASSER

RankPDB
Hit		Iden1Iden2Cov.Norm.
Z-score		Download
Align.		                   20                  40                  60                  80                 100
                   |                   |                   |                   |                   |                  
Sec.Str
Seq		CCCCCCCCCCCCCCCCCCSSSSCCCCCCSCCCHHHHHHCHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHCCHHHCSCCCSSCCCCCCCCHHHHHHHHHHHHHHHHHSSCCCCC
MAAYGIVESPDNVDYKTKCCCQTTDGVYFQVPKEYFRLHANLSRRKLLIAEPFGVPLDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW
11izlA 0.15 0.19 0.88 0.65Download LTPEVVPLTEKQYLFQYACC--HVGGITKTNP------SLDLRTETLALATP---PRD--NIEGLVDYMKNPTTYDGEQEIAEVHPSLRSADIFPK-MRNLTEKDLVAIAGHILVEPK
21nexA 0.19 0.20 0.66 0.49Download ----------------SNVVLVSGEGERFTVDKKIAERSLLLKNYL-------PVPVRSSVLQKVIEWAEHHRDSNFP---------------VDSWDREFLKVDQE-LAANLNIKP-
32etsA 0.24 0.20 0.89 0.51Download HHHNDLVESIYEVNNQQNVKSQQQDHDFYQTVKPYTEHISILNEIKLHREFIIEVPYNSRKFELLIANIEQLSVE-----------CHFKRTSRKLFIEKLKSVQYDLQNILDGVT--
41r5iD 0.08 0.15 0.94 0.60Download SMKLRVENPKKAQKHFVQIYNLSNKEETKEVLKLFKLKVNQFYRHAFGIVNDYNGLLEYKEIFNMMFLKLSVVFDTQRK-------EANNVEQIKRNIAILDEIMAKADNDLSYFISQ
51rq0A 0.10 0.14 0.66 0.62Download -------------------------------------MKEKKKEIEKLLARPDLTPEQMKNYGMEYAKIEEIENITNRIKETLLREEGENELEIEKYEKELDQLYQELLFLLSPE---
62ixoA 0.18 0.24 0.90 0.66Download --------SLDRVDWPHARIFDTQTTLDFQSSLAIHRIKYTTLISHCSDPDPHATASSIAMVNGLMGVLDKLAHLIDETPPLP-G---YGNLACREWHHKLDERLPQWLQEMLPSEYH
71w4sA 0.20 0.20 0.97 0.64Download MYHVGYVEPAEANLQPHIVCIERLWGCWFYRPNETFHL----ATRKFLEKEVFKSDYYNKVPVSVVMFVKEYFKLCPEDVYVCESRYSAKTKSFKKWTMPVSSVRFVPRDVPLPVVRV
81v61A 0.24 0.19 0.18 0.52Download -------------------------------------------------------------------------------------VHCNNNQDFQEWMEQLNRLTK------------
92etsA 0.24 0.20 0.89 0.43Download HHHNDLVESIYEVNNQQNVKSQQQDHDFYQTVKPYTEHISILNEIKLHREFIIEVPYNSRKFELLIANIEQLSVE-----------CHFKRTSRKLFIEKLKSVQYDLQNILDGVT--
101xg8A 0.16 0.18 0.86 0.60Download --ANLYFQSNAVVVYGADVICASCVNA--PTSKDIYDWLQPLLKRKY--NISFKIDITKDLTDHDLQFIERIEQLFYPLITMNDEYVADGYIQTKQITRFIDQKLVNE----------
(a)All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)Rank of templates represents the top ten threading templates used by I-TASSER.
(c)Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)Cov. represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
       1: MUSTER   2: HHSEARCH   3: SP3   4: PROSPECT2   5: PPA-I   6: HHSEARCH I   7: FUGUE   8: HHSEARCH II   9: SPARKS   10: MUSTER   

  10 proteins in PDB which are structurally closest to the first I-TASSER model (identified by TM-align)

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.6345 2.71 0.20 0.842etsA
Model1
 
20.6182 3.07 0.07 0.862hujA
Model1
 
30.6074 3.03 0.05 0.822hfiA
Model1
 
40.5951 3.42 0.06 0.873dyjA
Model1
 
50.5916 3.55 0.10 0.871h6gA
Model1
 
60.5854 3.49 0.09 0.872j0oA
Model1
 
70.5801 3.62 0.10 0.861sj8A
Model1
 
80.5796 3.26 0.06 0.831sziA
Model1
 
90.5765 3.55 0.11 0.852asrA
Model1
 
100.5764 3.01 0.10 0.791dovA
Model1
 
Structural alignment using TM-align
 
HHHHHNDLVESLIYEVNNQQNFENV------KSQQQDHDFYQTVKPYTEHIDSILNEIKLHREFIIEVPYNSRKFELLIANIEQLSVEC-HF--------KR-T-SRKLFIEKLKSVQYDLQNILDGV-T- 
-M-AAYGIVESPDNVDYKT------KCCCQTT--DGVYF--QVPKEYFRLHANLSRRKLLIAEPF-GVPLDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW 
 
LYFQGELLIRTEQLLLQNEKNWELYLSNREE------EKPFDFYKDKPFVDEAKRCADDFLELAIPWVNTERPPYL-G--ELQLRQACDNVQ-TAVSA---FNG---RSF-YKHFLDHYQSTKYTLTRVRDFLKRKEES 
-MAAYGIVESPDNVDY-K--TK---------CCCQTTD--GVY---FQVPKEYFRLHANLSRRKLLIAEPFGVPLDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW--- 
 
MLS-QTLLEMTEQMIEVAEKGADRYQEG------KNSNHS-YDFFETIKPAVEENDELAARWAEGALELIKVRRPKYVHKEQIEAVKDNFLELVLQS-YV-------HH--I-HKKRFKDITESVLYTLHAVKDEIAREDSR 
-MAAYGIVESPDNVD-YK--TK------CCCQTTD-----GVYFQ-VPKEYF-RLHANLSRRKLLIAEPFG--VP--LDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTT-W-- 
 
TQACITAASAVSGIIADLDTTIFATAGTLNREGAETFADHREGILKTAKVLVEDTKVLVQNAAGSQEKLAQAAQSSVATITRLADVVKLGAASLGAEDPETQVVLINAVKDVAKALGDLISATKAAAGKVGDDPAVWQLKNSAKVVTNVTSLLKTVKAVEDEATKGTRALEATTEHIRQELAVFCSPEPPAKTSTPEDFIRTK-GITATAKAVA--A--GNSCRQEDVIATANLSRRAIADLRACKEAAFHPEVAPDVRLRA-LHYGRECANGYLELLDHV--LL-------TLQKPNPDLKQQLTGHSKRVAGSVTELIQAAEAK 
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAAYGIVESPDNVD-YK-TK-CCCQTTDGVYFQVPKEYFRLHANLSRRKLLIAEPF---------GVPLDSSAFESLVVLLEKAAI-VSPAAATAGTEVVS--KGDGAKQQWIKDLNKRQQKFVGACLGVTTW 
 
DLRRQLRKAV-DHVSDSFLETNVPLLVLIEA-----AKNGNEKEVKEYAQVFREHANKLIEVANLACSISNNEEG-VKLVR-SASQLEALC-PQV-IN-------AALALAAKPQSKLAQEND-LFKEQWEKQVRVLTDAVDDITSIDDFLAVSENHILEDVNKCVIALQEKDVDGLDRTAGAIRGRAARVIHVVTSEDNYEPGVYTEKVLEATKLLSNTVPRFTEQVEAAVEALSSDPAQPDENEFIDASRLVYDGIRDIRKAVL 
----MAAYGIVESPDN--VDYK--TK-----CCCQTTD-G-V--YFQVPKEYFRLHANLSRRKLLIAEPFGV-PLDSSAFESLVVLLE-KAAIVSPAAATAGTEVVS-K---------GDGAKQQWIKDLNKRQQKFVGACLG-VTTW---------------------------------------------------------------------------------------------------------------------- 
 
HPVSSLTMLNDTLHNIRTTNQALKKELSQK------TLTKTSLEEIALHSSQISMDVNKSAQLLDILSRHEYPINKDARELLHSAPKEAELDGDQMISHRELWAKIANSINDINEQYLKV-YEH-AVSS------YTQMYQDFSAVLSSLAGWISPGGNDGNSVKLQVNSLKKALEELKEKYKDKPLYPANNTVSQEQANKWLTELGGTIGKVSQKNGGYVVSINMTPIDNMLKSLDNLGGNGEVVLDNAKYQAWNAGFSAEDETMKNNLQTLVQKYSNANSIFDNLVKVLSSTISSC 
---M--AAY-GIVESPDNVDYKTK------CCCQTTDG-V-YFQVPKEYFRLHANLSRRKLLIAEPFG------------------------------V--PL-D-SSAFESLVVLLEKAAIVSPAAA-TAGTEVVS--K---------------------------------------------------------------------------------------------------------------------------------GDGAKQQWIKDLNKRQQKFVGACLGVTTW 
 
PPLTSAQQALTGTINSSMQAVQAAQATLDDFETLPPLGQDAASKAWRKNKMDESKHEIHSQVDAITAGTASVVNLTAG------DPAETDYTAVGCAVTTISSNLTEMSRGVKLLAALLEDEGGNGRPLLQAAKGLAGAVSEL-LRS--A-------QPASAEPRQNLLQAAGNVGQASGELLQQIG-E 
---------------------------------------------------MAAYGIVES-PDNVDY--K-TK-----CCCQTTDG--VYFQV-PKEYFRLHANLSRRKLLIAEPF--G------VPLDSSAFESLVVLLEKAAIVSPAAATAGTEVVSKGDGAKQQWIKDLNKRQQKFVGACLGVTTW 
 
NRLPLTEAELALIATPPEDSDMASLQQQRQEQNYFVRLGSLSERLRNHAYEHSLGKLQNARQKAQETLQQLTSVLGLM-----ESVKQAKPEQVEARALSMFRDITQQLQSMCVALGASI-Q-GLPSHVREQAQQARSQVNDL-QAT-FSGIHS-----F--QDLSAGVLAQTRERIARAREALDNTVEYVAQNTPAMWLVGPFAPGITE 
------------------------------------------------M--AAY-GIVESPDNVD--YK-TK------CCCQTT--D-------GV--YFQVPKEYFRLHANLSRRKLLIAEPFGVPLDSSAFESLVVLLEKAAIVSPAA----ATAGTEVVSKGDG-AKQQWIKDLNKRQQKFVGACLGVTT-W--------------- 
 
KSFVVSNQLREQQGELTST-WDLMLQTRIN--LSRS----AVRMMMDSSNQQSNAKVELLDSARKTLAQAATHYKKFKSMAPLPEMVATSRNIDEKYKNYYTALTEL--IDY-LDYG-----NTGAYF-AQ-PTQGMQNAMGERFAQY-ALSSEKLYRDI 
------M---AAYGIVESPDNV-DYK-TK-CCC---QTTDG--V-----------YFQVPKEYFRLHANLSRRKLLIAEPFG---VPLDSSAFESLVVLLEKAAI-VSPAA-AT---AGTEVVSKG-DGAKQQWIKDLNKRQQKFVGACLGVTT--W--- 
 
ESQFLKEELVVAVEDVRKQGDLMKSAAGEFADDPCSSVKRGNMVRAARALLSAVTRLLILADMADVYKLLVQLKVVEDGILKLRNAGN--------EQDLGIQYKALKPEVDKLNIMAAKRQQELKDVGNRDQMAAARGILQKNVPILYTASQAC--LQHPD---VAAYKANRDLIYKQLQQAVTGISNAA-QA--T 
------------------------------------------------------------M--AAY-GIVESPDNVDY-KT-------KCCCQTTDGV-YFQVPKEYFRLHANLSRRKLLIAEPFGVPLDSSAFESLVVLLEKAAIVSPAAAT--AGTE---VVSK-GD-GAKQQWIKDLNKRQQKFVGACLGVTTW 
 
(a)Residue pairs that are structurally aligned by TM-align program are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade.(more about the colors used)
(b)Ranking of proteins is based on TM-score of the structural alignment between Model1 and the PDB structures in our template library.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the model.

  Function Prediction

  Predicted EC Numbers

RankTM-scoreRMSDaIDENaCov.EC-ScorePDB
Hit		EC No.
10.4986 4.37 0.10 0.840.49431yfmA 4.2.1.2
 
20.4308 4.11 0.14 0.670.48062vo4B 2.5.1.18
 
30.4934 3.59 0.11 0.740.47531tqgA 2.7.13.3
 
40.5209 4.05 0.10 0.790.47433mdeA 1.3.99.3
 
50.4506 4.28 0.12 0.750.46971bucB 1.3.99.2
 
(a)Ranking is based on EC-score, which is a confidence score for the Enzyme Classification (EC) Number prediction.
(b)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa is percentage sequence identity in the structurally aligned region.
(d)Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.
(e)EC-Score is defined based on the C-score of the structure prediction and similarity of the model with known enzyme structures, as identified using both global and local structural alignment programs. The global similarity score uses TM-score, IDENa,RMSDa and Cov. of the structural alignment by TM-align, while the local match compares the structural and chemical similarity of local spatial motifs in the model with known catalytic site of enzymes. A prediction with a EC-score >1.1 signifies a prediction with high confidence (upto 3 digit numbers of EC) and vice versa (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).

  Predicted GO terms

RankTMscoreRMSDaIDENaCov.PDB
Hit		Fh-ScoreAssociated GO Terms
10.6014 3.08 0.12 0.841dowA 0.58 GO:0005198 GO:0045296 GO:0051015 GO:0008283 GO:0009653 GO:0010926 GO:0022610 GO:0032501 GO:0048869 GO:0050789 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005915 GO:0015629 GO:0016327 GO:0030027 GO:0031252 GO:0043229 GO:0043296
20.6014 3.08 0.12 0.841dowA 0.58 GO:0005198 GO:0045296 GO:0051015 GO:0007154 GO:0007155 GO:0007275 GO:0008283 GO:0009653 GO:0010926 GO:0016043 GO:0016265 GO:0022610 GO:0044085 GO:0048519 GO:0048856 GO:0048869 GO:0050793 GO:0050794 GO:0051239 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005915 GO:0015629 GO:0016327 GO:0030027 GO:0031252 GO:0043229 GO:0043296
30.5535 3.82 0.12 0.862jx0A 0.57 GO:0005096 GO:0008047 GO:0008060 GO:0008270 GO:0031267 GO:0043169 GO:0007154 GO:0007165 GO:0065009 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005925 GO:0016323
40.5765 3.55 0.11 0.852asrA 0.55 GO:0004888 GO:0006935 GO:0007154 GO:0007165 GO:0007626 GO:0040011 GO:0042221 GO:0065007 GO:0005623 GO:0005886 GO:0016021
50.4937 4.41 0.13 0.812vb6A 0.54 GO:0003774 GO:0005516 GO:0005524 GO:0030554 GO:0043531 GO:0051015 GO:0006139 GO:0006810 GO:0006974 GO:0007154 GO:0007165 GO:0009058 GO:0009889 GO:0016043 GO:0030029 GO:0033036 GO:0043283 GO:0044249 GO:0044260 GO:0048518 GO:0048522 GO:0051641 GO:0051716 GO:0060255 GO:0065007 GO:0001726 GO:0005622 GO:0005623 GO:0005634 GO:0005635 GO:0005737 GO:0005794 GO:0005884 GO:0005886 GO:0005905 GO:0005938 GO:0012505 GO:0015629 GO:0016459 GO:0016591 GO:0030136 GO:0031252 GO:0031410 GO:0031941 GO:0031965 GO:0031974 GO:0031975 GO:0043229 GO:0043234 GO:0044428 GO:0045334 GO:0048471
60.6177 3.19 0.10 0.862ibfA 0.54 GO:0003779 GO:0005198 GO:0016491 GO:0045294 GO:0009987 GO:0010926 GO:0022610 GO:0048870 GO:0050789 GO:0051179 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005913 GO:0005916 GO:0005925 GO:0015629 GO:0016323 GO:0030016 GO:0043034 GO:0043229 GO:0043234
70.6131 3.31 0.10 0.862gdcA 0.54 GO:0003779 GO:0005198 GO:0016491 GO:0006928 GO:0007155 GO:0008152 GO:0010926 GO:0022610 GO:0030030 GO:0030032 GO:0030334 GO:0044085 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005911 GO:0005912 GO:0005925 GO:0015629 GO:0016323 GO:0030016 GO:0043034 GO:0043229
80.4988 4.21 0.12 0.831zh7B 0.53 GO:0003700 GO:0003707 GO:0008270 GO:0008289 GO:0043169 GO:0043565 GO:0006139 GO:0006629 GO:0009058 GO:0009889 GO:0042127 GO:0043283 GO:0044249 GO:0044260 GO:0048518 GO:0048522 GO:0060255 GO:0065008 GO:0005622 GO:0005623 GO:0005634 GO:0043229 GO:0044424
90.5483 3.45 0.11 0.811l7cC 0.53 GO:0005198 GO:0017166 GO:0045296 GO:0051015 GO:0008283 GO:0009653 GO:0010926 GO:0022610 GO:0032501 GO:0048869 GO:0050789 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005915 GO:0015629 GO:0016327 GO:0030027 GO:0031252 GO:0043229 GO:0043296
100.6254 3.23 0.09 0.882ibfA 0.52 GO:0003779 GO:0005198 GO:0016491 GO:0045294 GO:0009987 GO:0010926 GO:0022610 GO:0048870 GO:0050789 GO:0051179 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005912 GO:0005913 GO:0005916 GO:0005925 GO:0015629 GO:0016323 GO:0030016 GO:0043034 GO:0043229 GO:0043234

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.493  GO:00099870.548  GO:00056230.548
GO:00055150.440  GO:00507890.494  GO:00444640.548
GO:00080920.383  GO:00650070.494  GO:00160200.495
GO:00037790.383  GO:00226100.329  GO:00058860.495
GO:00051980.329  GO:00109260.329  GO:00444250.495
GO:00510150.224  GO:00488690.280  GO:00056220.493
GO:00038240.214  GO:00507940.277  GO:00444240.493
GO:00452960.169  GO:00488700.266  GO:00057370.440
GO:00508390.169  GO:00160430.225  GO:00444590.440
GO:00164910.160  GO:00071540.224  GO:00432290.436

(a)Ranking in the first table is based on a function prediction score (Fh-score), which is calculated based on the C-score of the structure prediction and the TM-score, IDENa, RMSDa and Cov. of the structural alignment by TM-align between the predicted model and the PDB structures (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).
(b)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa is the percentage sequence identity in the structurally aligned region.
(d)Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.
(e)A consensus prediction of GO terms is derived from the structural analogs that have an Fh-score of >=1.0. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on the Fh-score of the template from which the GO term is derived. A prediction with a GO-score >0.5 signifies a prediction with high confidence and vice versa.


  Predicted Binding Site


Binding site residues in the model:
ALA:3  TYR:4  GLY:5  ILE:6  VAL:7  GLU:8  SER:9  
PRO:10  VAL:13  ARG:45  LYS:46  LEU:47  LEU:48  ILE:49  
ALA:50  GLU:51  PRO:52  PHE:53  GLY:54  PHE:62  LEU:65  
VAL:66  PHE:108  VAL:109  ALA:111  CYS:112  LEU:113  VAL:115  
TRP:118  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11g2nA0.4989 4.21 0.09 0.82 0.55Download3,4,5,6,7,8,9,10,13,45,46,47,48,49,50,51,52,53,54,62,65,66,108,109,111,112,113,115,118
21gqaA0.4994 3.86 0.10 0.79 0.51Download4,7,8,9,10,11,12,13,14,15,16,17,53,62,65,66,104,105,107,108,109,110,111,112,113,114,115,116,118
31e83A0.5058 4.06 0.09 0.81 0.40Download4,7,8,9,10,11,13,14,49,53,55,57,62,65,105,107,108,109,110,111,112,113,114,115,116,117,118
41cpq_0.5240 3.81 0.10 0.81 0.32Download1,2,3,4,5,6,7,8,9,10,11,13,49,52,53,54,55,62,65,108,109,111,112,113,115,118
53bvdA0.5916 3.81 0.06 0.93 0.25Download15,16,17,18,34,35,38,69,72,73,75,76,77,78,79,80,81,82,83,84,85,86,101,104
61uazA0.5304 4.13 0.09 0.78 0.19Download15,16,17,18,29,31,32,35,72,73,74,75,76,77,78,79,80,81,82,83,101,105
72z55A0.5456 4.39 0.09 0.82 0.18Download15,16,17,18,29,31,32,35,72,73,74,75,76,77,78,79,80,81,82,83,101,105

(a)Ranking of the analogs in the table is based on their BS-score. BS-score is calculated by first finding the structural analogs of the predicted model based on their TM-score, IDENa and Cov. of the structural alignment. The ligand(s) in the analog structure are then transferred onto the model and the fitness of the ligand-model complex (BS-score) is calculated by comparing the local structure and sequence similarity in the binding site region. (For detail, see Kucukural, Szilagyi, Ambrish, and Zhang, Template based ligand binding site prediction on modeled protein structure, 2009, in preparation).
(b) A BS-score of >0.5 signifies a binding site prediction with high confidence and vice-versa.
(c)RMSDa the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the model.
(f)The image shows the ligand-protein complex with the best BS-score. The ligand is depicted in magenta colored ball & stick, the predicted binding site residues interacting with the ligand are shown as transparent green spheres, while the N & C terminus in the model are marked by blue and red spheres respectively.



 Please cite following articles when you use the I-TASSER server:
1.Yang Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9:40 (2008).
2.Yang Zhang. Template-based modeling and free modeling by I-TASSER in CASP7. Proteins, 8: 108-117 (2007).
3.Sitao Wu, Jeffrey Skolnick, Yang Zhang. Ab initio modeling of small proteins by iterative TASSER simulations. BMC Biology, 5:17 (2007).