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I-TASSER results for job id S34204

  Submitted Sequence

>your_protein
MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRLVDFLFCKSDEEF
IKGFFCQMIVRNLHCLNSTNGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIGVWYGIH
QSPPIFEIIDFKILSRNDVRDFCEFVKSPLGEKFLNISNS

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   | 
MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNLHCLNSTNGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIGVWYGIHQSPPIFEIIDFKILSRNDVRDFCEFVKSPLGEKFLNISNS
PredictionCCCHCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSSSSSSSCCCHHHHCCHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCSSSSSSSSSSCCCCCCCSSSSSSSSSSCHHHHHHHHHHHCCCHHHHHHCCCCC
Conf.Score9401000567765411242102452257888876547640278998998777525826764143368888766612578878889988737888751554477899825899988862568987488887677528889999999737011787386689

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-2.54
 C-score=-3.01
 C-score=-5
 C-score=-3.98
 C-score=-5
 
Estimated accuracy of Model1: 0.42±0.14 (TM-score)    10.6±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                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |
Sec.Str
Seq		CCCHCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSSSSSSSCCCHHHHCCHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCSSSSSSSSSSCCCCCCCSSSSSSSSSSCHHHHHHHHHHHCCCHHHHHHCCCCC
MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNLHCLNSTNGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIGVWYGIHQSPPIFEIIDFKILSRNDVRDFCEFVKSPLGEKFLNISNS
11hyeA 0.19 0.23 0.93 0.70Download LG-THLDSLRFKVAIAFGVEVRTRIIGEHG--DSMVPLLSATSI-IPIQK--FERFKELPI--DEIIEDVKTKGEQIIRFGPAAAILNVVRCIVNNEKRLLAYVDGEIRDVCIGVPVKIRDG--IEEVVSIE-LDKDEIIAFRKSAEI-IKKYCEEVKNL
22axtA 0.21 0.16 0.69 0.62Download IARLVKEAEFVPTKLVTRETTSDQIQNSDGSEEDGI---DFQPVTVQMIPLLFTQPNVDFKKGRGLASGYDSAIALPQ--A-------KEEELARAQLSDDDMGAHEPHEVKIGVFYASIEP--------------------------------------
31a4yA 0.19 0.16 0.97 0.49Download LEALKLNCRDLCGIVASKAALGSNKLGDVGMAPGLLHPSSRL----RTLWIWECGITAKGCG-DLCRVLKESLKELSAGNEGDEGARLLCETLLEPGCQSLWVKSCSFTAACCSHFSSVLAQNRFLLELQISRLEDAGVRELCQGLGQPGSVRVLWLADC
41efdN 0.10 0.19 0.98 0.66Download VPYGVADTINYRLWVSEPPLPDSVIDVGLRTEAGYGPSPEMLARIAPGRGFNFSDGKQPLAM--ARKSLTEMADLLNLQSAAETHLAQYEDFI-RSMKPRFVKRGARPLLLTTLIDPRETNFWGSTAVVDVLCFDHDNSKDMDALMATPLWQAMPAVWFY
51hyeA 0.19 0.23 0.94 0.67Download LG-THLDSLRFKVAIAHIDEVRTRIIGEHG--DSMVPLLSATSIGGIPIQ-KFERFKELPI--DEIIEDVKTKGEQIIRFGPAAAILNVVRCIVNNEKRLLTLEFDGIRDVCIGVPVKIGRD-GIEEVVSIE-LDKDEIIAFRKSAEI-IKKYCEEVKNL
61rypA 0.11 0.18 0.88 0.91Download ISGDISDMQHIERLLKDLNAYDNPDYQRSKMNPLWNASNGDQFLR--YVNLLVTYSSPTLATGFGAHMANPLLRKVVDKTTVQVAEEAIVNAMRVLYYRDA--RSSRNFSL--A-IIDKNTGLTFKKNLQVENM------------KWDFAKDIKGYGTQ
73cayA 0.26 0.04 0.14 0.46Download -----------------------------------------------------------------------------AAEAAEKAAKYAAEAAEKAAKAA------------------------------------------------------------
82axtA 0.30 0.16 0.12 0.47Download --------------------------------------------------------------------------------------------------SDDDMGAHEPHEVKIGVFYA------------------------------------------
91yf2A 0.12 0.14 0.98 0.36Download IEKSINKLERIKKGLMHTKGIGHSRF--KKSEIGEIPEDWEVFEIKDIFEVKTGKKSEYWENGEINWITPLDLSRLNEKIYIGSSERKVTKIALEKCNLNL-IPKGSIIISTRAVAVLTVESTFNQGCKGLFQKNNDSVTEFYAYYLKFKKNLLENLSGG
101ez4A 0.20 0.18 0.93 0.68Download ---TSLDSSRLRVALGFNVSVDAYIMGEHG--DSEFAAYSTATI-RPVRDVAQGVSDDDLAK-LEDGVRNKAYDIINATFGIGTALMRISKAILRDENAVLAYMDGQLNDIYIGTPAIIGTG--LKQIIESP-LSLKKMQDSAATLKKVLNDGLAELEN-
(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
10.5323 2.30 0.14 0.631quqB
Model1
 
20.4689 3.53 0.07 0.641kxlA
Model1
 
30.4574 4.04 0.07 0.641l1oC
Model1
 
40.4377 4.34 0.08 0.661jb7A
Model1
 
50.4367 3.58 0.12 0.593f1zA
Model1
 
60.4353 3.55 0.09 0.601miuA
Model1
 
70.4344 3.93 0.03 0.621qzgA
Model1
 
80.4321 3.51 0.14 0.581xjvA
Model1
 
90.4315 3.23 0.09 0.573ebeA
Model1
 
100.4294 3.14 0.04 0.561wjjA
Model1
 
Structural alignment using TM-align
 
DMMDLPRSRIN-------------------AG------MLAQFIDKPVCFVGRLEKIHP----------TGKMFILSDG------EG-KNGTIELMEPL------DEEI-S---GIVEVVGRVTAKATILCTSYVQFKEDSHPFDLGL-YNEAVKIIHDFPQFYP--LG---- 
-----MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNII-HPSKRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNLHCLNSTNGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIGVWY---GIHQSPPIFEIID---FKILSRNDVRDFCEFVKSPL-GEKFLNISNS 
 
KMARKDPT------IEFCQLGLDTFE-----TKYI-T--M------F------G-MLVSCSFDKPA------------FISFVFSDFTKNDIVQNYLYDRYLIDYENKLELNEGFKAIMYKNQFETFDSKLRKIFNNGLRDLQN---G-R--DENLSQYGIVCKMNIKVKMYNGKLNAIVRECEPVPHSQISSIASPSQC-------------------EHLRLFYQRA--FKRIGESAISRYFEEYRR--FFPI- 
--------MSQLVLDLKCLKDK----IATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNL-----------HCLN---------ST-NGAEEMR----L--YMS--E----RL-FSAHKDDLRLINGQVLDV-RIGVWYG----------------IHQSPP-------------IFEIIDFKILSRNDVRDFCEFVKSPLG--EKF-----------------LNISN-S 
 
NTNWKTL---Y--------------EVKS----E-NLGQGDKPDYFSSVATVVYLRK--------ENCMYQACPTQDCNKKVIDQQNGLYRCEKCDTEFPNFKYRMILSVNIAD-------FQ-ENQWVTCFQESAEAILGQNAAYLGELKDKNEQAFEEVFQNANF--RSFIFRVRVKVETYIKATVMDVKPVDYRE-YGR-RLVMSIR-RSAL--M------------- 
MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHP----SKRFRIVVRLVDFLFCKSDEEFIKGFF--------------------------------------CQMIVRNLHCLNSTNGAEEMRLYMSE-RLFSAHKD----D-------------LR-LINGQVLDVRIGVWY-----GIHQSPPIFEIIDF-KIL-SRNDVRD-FCE--FVKSPLGEKFLNISNS 
 
SLNAVVLTEVDKKHAALPSTSLQD-----------------LF-----HHADSDKELQAQDTFRTQFYVTKIEPSDVKEWVKGYDRK--TKKSSSLKGASGKGDNIFQVQFLVKDAS---TQLNNNTYRVLLYTQDGLGAN-F-FNVKADNLHKNADARKKLEDSAELLTKFNSYVDAVVERRNGFY-LIKDTKLIY------------------------------- 
----------------MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIH----PSKRFRIV-VRL-VDFLF---C--------KSDEEFIKG---------FFCQMIVRNL--HCLNSTNGAEEMRL-YMS-E-RLFSAHKDDL-------------R--LI--NGQ--VLD-VRIGVWYGIHQSPPIFEII-DFKILSRNDVRDFCEFVKSPLGEKFLNISNS 
 
QPGDDAVASQTYSVA-Q---------------FLQPFTLNPAK--ASSDYLGKWVKVRGVIVDIRRK---SGIAG-SYY-FIVT-RDE----QNKTDKRLTFNFGSHNSA-D---VEALSNG--SVATIVGQVHQVQDSTIPTLQNPKVVK--------------------------------- 
-----MS--QLVLDLKCLKDKIATNYDIHNNVYG--GNGME--PNII--HPSKRFRIVVRLVDFLFCKSDEEF--IKGFFCQMIVRNLHCLNSTNGAEEMRLYMS-ERLFSAHKDDLRLINGQVLDVRIGVWY--------GIHQSPPIFEIIDFKILSRNDVRDFCEFVKSPLGEKFLNISNS 
 
KDLMSSLQSARDLQDMRIKNKERRHLRLQPGSLYLTKSSTLPRISLQAAVGDRAPSACSPKQLYIYGVSKECINVNSKNAEYFQFDIQDHFGKEDLCAGKGFQLADGGWLIPSNDGKAGKEEFYRALCDTPGVDPKLISSIWVANHYRWIVWKLAAMEFAFPKEFANRCLNPERVLLQLKYRYDVEIDNSRRSALKKILERDDTAAKTLVLCISDIVDTIELTDGWYAVRAQLDPPLMALVKSGKLTVGQKIITQGAELVGSPDACAPLEAPDSLRLKISANSTRPARWHSRLGFFRDPRPFPLP-----------------LS-----SLF--SDGGNVGCVDIIVQRVYPLQWVEKTVSGLY----IFRSEREEEKEALRFAEAQQKKLEALFTKVHTEFKSRTLTRQQVHALQDGAELYAAVQYASDPDHLEACFSEEQLRALNNYRQMLNDKKQARIQSEFRKALESAEKEEGLSRDVTTVWKLRVTSY------KKKEKSALLSI-WRPSS--DLSSLLTEGKRYRIYHLAVSKSKSKFERPSIQLTATKRTQYQQLPVSSETLLQVYQPRESLHFSRLSDPAFQPPCSEVDVVGVVVSVVKPIGLAPLVYLSDECLNLLVVKFGIDLNEDIKPRVLIAASNLQCQPESTSGVPTLFAGHFSIFSASPKEAYFQEKVNNLKHAIENIDTFYKEAEKKLIHVLE--------------------------- 
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MS-QLV------------------LDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFR-IVVRLVDFLFC------------KSDEEFIKG--------------------------------------------------------------------------------------------------------------FFCQMIVRNLHCLNSTNGAE-EMRLYMSERLFSAHKDDLRLINGQVLDVR-IG-VWY-------GIHQSPPI-FEIIDFKI------------------------------------------------------------------------------------------------------------------------------------------------LSRNDVRDFCEFVKSPLGEKFLNISNS 
 
VIDSLQLNELLNAGEYKIGE-LTFQSIR-S---------------SQEL------QKKNTIVNLFGIVKDFTPSRQ--SLHGTKDW-VTTVYLWD----PTCDTSSIGLQIHLFSKQGND--L----PVIKQVGQPLLLHQITLRSYRDRTQGLSKDQFRYALWPDFSSNSKDTLCPQPMPRLMKTGDKEEQFALLLNKIWDEQTN------------------------ 
--------------------MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRL-VDFLFC-KSDEEFIKGFFCQMIVRNLHCLNSTNG--A-EEMRLYMS-E-RLFSAHKDDLRLINGQVLDVRIGVWY-------GIHQS-PPIFEI---------------------------I--DFKIL-SR-----NDVRDFCEFVKSPLGEKFLNISNS 
 
--TLLK--------------------L-----CDVQPMQ-YFDLTCQLLGKAE-------VDGASFLLKVWDGTRTPFPSWRVLIQDLVLEGDLSHIHR---LQ-NLTIDILVYDNHVH-VA---RSLKVG--SFLRIYSLHTKLQSMNSENQTMLSLEFHLHGGTSYGRGIRVLPESNSDVDQLKKDLESANLTA---------------------- 
MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNL----------------------HC--LNST-NGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIG-VWY---------------GIHQS------PPIFEIID----FKILSRND-------VRDFCEFVKSPLGEKFLNISNS 
 
QYHVEKFSGLRIRKPRVSSSEMERKMNGRKLIRL---A---------------QLQ----NKIATEKLEEEDWVTFGVIVKKIT--------PTF-SIWRLNDL-----KDLDKYISLFLFGDVHKE-H----WKTDQG--TVIGLLNANPMKPKEGTDEVCLSVDNPQKVLLMGDAVDLGTCKARKKNGDPCTQMVNLNDCEYCQYHVQAQYKK------------------------- 
---------------------------MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNII---HPS-KRFRIVVRLVDFLFCKSDEEFIKGFFCQMIVRNLHCLNSTNGAEEMRLYMS-ER-LFSAHKDDLRLINGQVLDVRIGVW-Y---------GIHQS-P--PIFEIIDFKIL-----------------S-----------------RNDVRDFCEFVKSPLGEKFLNISNS 
 
GSSGSSGSTVKRKP--VFVK--------------------V-----EQLKPGTTGHTLTVKVIEANIVVPVTRKTRPASSLSRPS-QPSRIVECLIGD------ETGCILFTAR-NDQ------VDLMKPG--ATVILRNSRIDMFKGTMRLGVDKWGRIEATGAASFTVKEDNNLSLVEYESGPSSG------------------------- 
--------------MSQLVLDLKCLKDKIATNYDIHNNVYGGNGMEPNIIHPSKRFRIVVRL-VDFLFC----KSDEE-F-----IKGFFCQMIVRNLHCLNSTNGAEEMRLYMSERLFSAHKDDLRLINGQVLDVRIG-VWY-------GIHQS--PPIFEIIDFKILS------------------RNDVRDFCEFVKSPLGEKFLNISNS 
 
(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.
10.3229 5.56 0.15 0.620.42472obcB 1.1.1.1933.5.4.26
 
20.3650 5.21 0.12 0.660.40001r8vA 3.4.21.92
 
30.3201 5.45 0.15 0.570.39293c20B 2.7.2.4
 
40.3618 4.93 0.13 0.600.38982a1aA 2.7.11.1
 
50.3675 5.08 0.11 0.650.38932olsA 2.7.9.2
 
(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
10.5375 2.40 0.12 0.642z6kD 0.48 GO:0003697 GO:0000718 GO:0006260 GO:0006297 GO:0006308 GO:0009056 GO:0009058 GO:0009987 GO:0033554 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0043285 GO:0044248 GO:0044249 GO:0044265 GO:0051716 GO:0000228 GO:0005622 GO:0005623 GO:0005634 GO:0005654 GO:0005657 GO:0005662 GO:0005694 GO:0005737 GO:0030894 GO:0031974 GO:0032993 GO:0043229 GO:0043234 GO:0043596
20.4321 3.51 0.14 0.581xjvA 0.43 GO:0010521 GO:0017151 GO:0042162 GO:0043047 GO:0009987 GO:0010926 GO:0044237 GO:0050789 GO:0065007 GO:0000228 GO:0000781 GO:0000782 GO:0000783 GO:0000784 GO:0005622 GO:0005623 GO:0005634 GO:0005654 GO:0005694 GO:0031974 GO:0032993 GO:0043229 GO:0044424
30.3229 5.56 0.15 0.622obcB 0.42 GO:0008270 GO:0008703 GO:0008835 GO:0019239 GO:0043169 GO:0050661 GO:0006771 GO:0009058 GO:0009110 GO:0009231 GO:0009987 GO:0042727 GO:0044249 GO:0055114
40.3494 5.34 0.13 0.652zf5Y 0.42 GO:0004370 GO:0005524 GO:0016301 GO:0030554 GO:0005975 GO:0006072 GO:0009987
50.3170 5.00 0.16 0.541exmA 0.41 GO:0003676 GO:0003746 GO:0003924 GO:0005525 GO:0019001 GO:0006414 GO:0009058 GO:0009987 GO:0010467 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0005622 GO:0005623 GO:0005737
60.3658 5.68 0.11 0.715cnaD 0.40 GO:0005509 GO:0005515 GO:0005529 GO:0030145 GO:0043169
70.4085 4.01 0.12 0.592jebI 0.39 GO:0003723 GO:0006401 GO:0009056 GO:0009987 GO:0034960 GO:0043283 GO:0043285 GO:0044248 GO:0044265 GO:0000178 GO:0005622 GO:0005623 GO:0005737
80.3559 5.35 0.12 0.642fn1B 0.39 GO:0009058
90.3426 5.01 0.14 0.592h0vB 0.39 GO:0005506 GO:0008127 GO:0043169 GO:0051213 GO:0055114
100.3201 5.45 0.15 0.573c20B 0.39 GO:0004072 GO:0016597 GO:0019202 GO:0008652 GO:0009058 GO:0009067 GO:0009088 GO:0009308 GO:0009309 GO:0009987 GO:0019752 GO:0044249

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.414  GO:00081520.413  GO:00056230.401
GO:00036760.211  GO:00442370.378  GO:00444640.401
GO:00038240.204  GO:00099870.335  GO:00444240.363
GO:00431690.121  GO:00442380.249  GO:00056220.363
GO:00431670.121  GO:00090580.210  GO:00057370.282
GO:00469140.121  GO:00442490.171  GO:00329910.247
GO:00468720.121  GO:00431700.168  GO:00432290.206
GO:00435660.092  GO:00349600.168  GO:00432260.206
GO:00036770.092  GO:00442600.168  GO:00432340.203
GO:00036970.092  GO:00432830.168  GO:00432280.168

(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:
LEU:4  VAL:5  LEU:6  ASP:7  ILE:35  ARG:43  ILE:44  
VAL:45  VAL:46  ASN:72  MET:85  ARG:112  ILE:128  ILE:129  
PHE:131  LEU:134  ASN:137  ASP:138  VAL:139  ARG:140  ASP:141  
PHE:142  CYS:143  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11icpA0.3952 5.34 0.06 0.68 0.57Download4,5,6,7,35,43,44,45,46,72,85,112,128,129,131,134,137,138,139,140,141,142,143
21ps9A0.3761 5.42 0.08 0.65 0.52Download6,7,8,9,26,27,44,45,46,47,70,71,72,73,79,80,81,83,85,110,131,134,135,136,137,138,139
31dorA0.4068 4.96 0.07 0.64 0.52Download8,26,45,46,47,48,69,70,71,72,73,74,75,78,79,80,81,82,83,84,110,129,130,131,133,134,135
42rgnA0.3662 5.28 0.09 0.64 0.48Download7,8,9,10,11,12,13,14,15,20,21,22,23,24,25,26,27,28,29,35,36,71,72,73,79,80,81,82,83,84,118
52gjsA0.3106 5.34 0.14 0.56 0.45Download8,9,11,12,13,14,15,16,20,23,24,25,26,71,72,73,74,79,80,81,82,83,84,85
62rhdA0.3116 5.41 0.11 0.56 0.37Download7,8,9,10,11,12,23,24,26,27,28,32,33,34,72,73,77,78,79,80,81,82,83,133,134,135
71ox5A0.3718 5.36 0.08 0.64 0.37Download6,7,8,9,26,33,45,46,47,71,72,73,75,76,77,79,80,81,83,108,109,110,111,128,129,130,131,133,134,135,139
82k5uA0.3181 5.36 0.11 0.54 0.37Download8,9,11,12,13,14,15,16,20,21,22,23,24,25,26,71,72,73,74,79,80,81,82,83,84
91ag9A0.3067 5.26 0.12 0.51 0.28Download7,8,26,46,47,48,49,50,71,72,73,74,75,76,79,80,81,82,83,105,106,107,109,110,130,134
102gl6E0.3492 5.63 0.09 0.62 0.28Download35,42,44,48,67,68,70,85,86,87,88,89,92,103,111,112,113,114,115,116,117,118,119,120,121,122,124,125

(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).