I-TASSER results for job id S34212

Submitted Sequence

>863 MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKY MDYEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNV IQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIFKKLNEDFVYWNISEEK KQQLEDSRVEL

Predicted Secondary Structure

Sequence	20                  40                  60                  80                 100                 120                 140                 160                 180                    |                   |                   |                   |                   |                   |                   |                   |                   |             MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIFKKLNEDFVYWNISEEKKQQLEDSRVEL
Prediction	CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCCCCCC
Conf.Score	91099999999999999998388999999999999989999999999889999999999999999999999999998664799742999999999999999989999960886544699999999999999999999999999999999999963099999995898676446896732256777899999

Top 5 Models predicted by I-TASSER

Top 10 templates used by I-TASSER

Rank	PDB Hit	Iden1	Iden2	Cov.	Norm. Z-score	Download Align.		20                  40                  60                  80                 100                 120                 140                 160                 180                    |                   |                   |                   |                   |                   |                   |                   |                   |
							Sec.Str Seq	CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCCCCCC MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIFKKLNEDFVYWNISEEKKQQLEDSRVEL
1	2etdA	0.25	0.20	0.67	1.59	Download		-----------------------HHLVSLEQEVQEYSQIQNQLQRRADLIPNLVETVG-YAAHE-EILEEIANARALIGAT-----PQESAQADAELSSALSRLLAIAENYPNLAD--ANFRQLDELAGTENRIAVARRDYNEAVYNTAIGF---------------EEQYFEAP----------------
2	2etdA	0.31	0.21	0.66	9.34	Download		----------------------HHLVSLEQEVQE-YSQIQNQLQRRADLIPNLVETV-GYAAHE-EILEEIANARA-LIGA-TP---QESAQADAELSSALSRLLAIAENYPNL-ADANFRQL-DELAGTENRIAVARRDYNEAV--YNTAI------------GFEE-QY--FEA---------------
3	2etdA	0.30	0.20	0.67	1.84	Download		----------------------HHLVSLEQEVQ-EYSQIQNQLQRRADLIPNLVET-VGYAAHE-EILEEIANARALIGAT-----PQESAQADAELSSALSRLLAIAENYPNL-ADANFRQLD-ELAGTENRIAVARRDYNEAV--YNTAIG-------------FEEQYFEAP----------------
4	2etdA	0.29	0.20	0.67	1.48	Download		----------------------HHLVSLEQ-EVQEYSQIQNQLQRRADLIPNLVETV-GYAAHEE-ILEEIANAR-----ALIGATPQESAQADAELSSALSRLLAIAENYPNL-ADANFRQLD-ELAGTENRIAVARRDYNEAVYNTAIG---------------FEEQYFEAP----------------
5	2etdA	0.25	0.20	0.67	2.07	Download		-----------------------HHLVSLEQEVQEYSQIQNQLQRRADLIPNLVETVG-YAAHE-EILEEIANARA-----LIGATPQESAQADAELSSALSRLLAIAENYPNLAD--ANFRQLDELAGTENRIAVARRDYNEAVYNTAIGF---------------EEQYFEAP----------------
6	2etdA	0.31	0.21	0.66	9.47	Download		----------------------HHLVSLEQEVQE-YSQIQNQLQRRADLIPNLVETV-GYAAHE-EILEEIANARA-LIGA-TP---QESAQADAELSSALSRLLAIAENYPNL-ADANFRQL-DELAGTENRIAVARRDYNEAV--YNTAI------------GFEE-QYFEA-----------------
7	2etdA	0.28	0.20	0.67	3.50	Download		----------------------HHLVSLEQEVQ-EYSQIQNQLQRRADLIPNLVETV-GYAAHEE-ILEEIANARAL-----IGATPQESAQADAELSSALSRLLAIAENYPNLA-DANFRQLD-ELAGTENRIAVARRDYNEAVYNTAIGF---------------EEQYFEAP----------------
8	2etdA	0.31	0.21	0.65	8.44	Download		------------------------LVSLEQEVQE-YSQIQNQLQRRADLIPNLVETV-GYAAHE-EILEEIANARA-LIGA-T---PQESAQADAELSSALSRLLAIAENYPNL-ADANFRQL-DELAGTENRIAVARRDYNEAV--YNTAI------------GFEE-QYFEA-----------------
9	2etdA	0.30	0.20	0.67	1.04	Download		----------------------HHLVSLEQEVQ-EYSQIQNQLQRRADLIPNLVET-VGYAAHE-EILEEIANARALIGAT-----PQESAQADAELSSALSRLLAIAENYPNL-ADANFRQLD-ELAGTENRIAVARRDYNEAV--YNTAIG-FE------------EQYFEAP----------------
10	1pb6A	0.06	0.17	0.94	0.71	Download		VS-AKKKAILSAALDTFSQFGFHGT-RLEQIAELAKTNLLYYFPSKEALYIAVLRQILDIWLAPLKAFREDFAPLAAIKEY-----IRLKLEVSRDYPQASRLFCMEMLAGAPLLMDELTGDLKALIDEKSALIAGWVKSPQHLIFMIWASTQHY-ADFAPQVEAVTGATLRDEVFFNQTVENV----QRI
(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)

Rank TM-score RMSDa IDENa Cov. PDB Hit 1 0.6264 1.65 0.30 0.67 2etdA Model1   2 0.5944 3.05 0.06 0.74 1qoyA Model1   3 0.5658 4.39 0.07 0.83 1txdA Model1   4 0.5489 4.68 0.06 0.84 1xcgA Model1   5 0.5465 3.79 0.04 0.73 1xlyA Model1   6 0.5429 4.43 0.06 0.81 2dx1A Model1   7 0.5390 4.42 0.09 0.82 1ki1B Model1   8 0.5297 4.39 0.06 0.80 2rgnB Model1   9 0.5281 3.94 0.04 0.71 1u8vA Model1   10 0.5280 3.90 0.09 0.74 2nrjA Model1

Structural alignment using TM-align   ---------------------H-HLVSLEQEVQE-YSQIQNQLQRRADLIPNLVETV-GYAAHE-EILEEIANARA-LIGA----TPQESAQADAELSSALSRLLAIAENYPNL-ADANFRQL-DELAGTENRIAVARRDYNEAV--YNTAI---------GFE--E--Q-YFEAP---------------  MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIFKKLNEDFVYWNISEEKKQQLEDSRVEL    GILDSMAEIVADKTVEVVKNAIETADGALDLYNKYLDQVIPWQTFDETIKEL------SR-FKQEYSQ-AASVLVGDIKTLLMDSQDKYFEATQTVYEWCGVATQLLAAYILLFDEYNEKK------------------------------------------------ASAQKDI--LIKVLDDGITKLNEAQKSLLVSSQSFNNASGKLLALDSQLTNDFSEKSSYFQSQVDKIRKEAYAGAAAGVVVGPFGLIISYSIAAGVVEGKLIPELKNKLKSVQNFFTTLSN-TVK-QANKDIDAAKLKL---------TTEIAAIGEIKTETETTRFYVDYDDLMLSLLKEAAKKMINTCNEYQKRHGKKTLF  ----------------------------------------------------MSIGIIL-LIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMD------YEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFF-------------------------------------------------------------------AGIVVSIFKKL-NEDF--VYWNISE-EKKQQLEDSRV--EL-------------------------------------------------    PPNWQQLVSRE------------VLLG-LKPCEIKRQEVINELFYTERAHVRTLKVLDQVFYQRVSRE-GI-L--SPSELRKIFSNLEDILQLHIGLNEQMKAVRKRNETSVIDQIGEDLLTWFSGPGEEKLKHAAATFCSNQPFALEMIKSRQK-KDSRF-QTFVQDAESNPLCRRLQLKDIIP-TQMQRLTKYPLLLDNIAKYTEWPTEREK-VKK--AAD--HCRQILNFVNQAV----KE---AENKQRLEDYQR  -----------MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAK-VFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAK-E------------------------------NG--DIQERINAENKIS-DLAKGINVQFENYPELKANQNVIQLQ-------EEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIF-KKL--NEDFV-YWNISEEK-KQQLE-DSRVEL---------    QNWQHTVGKD------------VVAG-LTQREIDRQEVINELFVTEASHLRTLRVLDLIFYQRMKKE-N-LM--PREELARLFPNLPELIEIHNSWCEAMKKLREEGPIIKEISDLMLARFDGPAREELQQVAAQFCSYQSIALELIKTKQRKESRF-QLFMQEAESHPQCRRLQLRDLII-SEMQRLTKYPLLLESIIKHTEGGTSEHEKLCR--ARD--QCREILKYVNEAV----KQT----ENRHRLE  ----------MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAK-VFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENG-----------------------D--------IQERINAENKISDLAKGINVQFENYPELKANQNVIQLQ-------EEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIF-KKL--NEDFV-YWNISEEK-KQQLE--DSRVEL-----    -DI--KV--------------TP--GTS-EL-VEQILALLSRYLSSYIHVLNKFISHLRRV-ATLRFERTTLIKFVKKLRFYNDSVLSYNASEFINEGKNELDPEADSFDKVILPIASMFVKSVETFDLLNYYLTQSLQKEILSKTL-NE-D--LT--LTAESILAIDDTYNHFVKFSQWMIESLR-IGSNL-------------------LDLEVVQFAI-KSADEDNIFLQEILPVNSEEEFQTLSAAWHSILDGKLSALDEEFDVVATKW--  MSIGIILLIIVVVIAVYVVMTYNKLIT-EIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENG--------------------------------DIQERINAENKISDLA-KGINVQFEN-YPELKANQNVIQLQE-EITSTENKLAFAKQALNDSIERYNAHKK---SFFAGIVVSIFKKLNEDFVYWNISEEKKQQLED---SRV------------------------------------------EL    LAINELISDGSVVCAEALWDHVTDDQELGFKAGDVIEVDATNREWWWGRVADGEGWFPASFVRLRVNQD----------------AQSSKD-QRTNVINEILSTERDYIKHLRDICEGYVRQCRKR-A-DF--SEEQLRTIFGNIEDIYRCQKAFVKALEQRFNRERPHLSELGACFLEHQADFQI-YSEYCNNHPNACVELSRLT--K--LSKYVYFFEACRLLQKIDISLDGFLL-TPVQKICKYPLQLAELLKYT--HPQHRDFKDVEA-ALH-AKN-VAQLIN-E----RKRRLENIDKIAQWQSSIEDWEGEDLLVRSSELIYSGELTRVTQPQAKSQQRFFLFDHQLIYCKKDLLRRDVLYYKGRLDDGLEVVIKNAFRLHSHLLCTRKPEQKQRWLKAFAREREQVQ  ---------------------------------------------------------------------MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAK-VFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAK-EN------------------------G--DIQERINAENKISDLAKGINVQFENYPELKAN--QNVIQLQ------EEITSTENKLAFAK-QALNDSIERYNAHKKSFFAG-IVVSIFKKLN-EDF-VYWNISEEKKQQLEDSRVEL------------------------------------------------------------------------------------------------------------------    ---------------D--MLTPTERKRQGYIHELIVTEENYVNDLQLVTEIFQKPLMES--ELL--TEKEVAMIFVNWKELIMCNIKLLKALRVRKKMSGEKMPVKMIGDILSAQLPHMQPYIRFCSRQLNGAALIQQ-KTDEAPDF-KEFVKRLEMDPRCKGMPLSSFIL-KPMQRVTRYPLIIKNILENT-PENHPDHSHLKH--ALE--KAEELCSQVNEGVREKENSDRLEWIQA------------  MSIGIILLIIVVVIAVYVVMT--YNKLITEIETVKNSEKQIDVQLDRRAK-VFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENG--------------------------DI--QERINAEN-KISDLAKGINVQFENYPELKANQNVIQLQ-------EEITSTENKLAFAK-QALNDSIERYNAHKKSFFAGIVVSIF-KKL--NEDFV-YWNISEE----------------KKQQLEDSRVEL    SE--E----------EQKKKALERSMYVLSELVETEKMYVDDLGQIVEGYMATMAAQGVPE-SLRGRDRIVFGNIQQIYEWHRDYFLQELQRCLKDPDWLAQLFIKHERRLHMYVVYCQNKPKSEHVVS-EF----GDSYFEELRQQLGHRLQLNDLLIKPVQRIMKYQLLLKDFLKYYNRAGMDTAD-LEQ-AVE--VMCFVPKRCNDMMTLGRLRGFEGKLTAQGKLLG--QDTFWVTEPSRGRERRVFLFEQIIIFSEALGP-------GYVYKNSIKVSCLGLEGNLQGDPCRFALTSRGPEGGIQRYVLQAADPAISQAWIKHVAQILESQRDFLNALQSPIEYQRRESQTNS  MSIGIILLIIVVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAK-ENG--------------------D--IQERINAENKISDLAKGINVQFENYPELKAN-QNVIQ-L-Q-EEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIVVSIF-KK--LNEDFVYWN-ISEEK--------------------KQQ-------------------------------LEDSRVEL-------------------------------------------------------------------------------------    MLMTAEQYIESLRKLNTRVYMFGEKIENWVDHPMIRPSINCVRMTYELAQDPQYADLMTTKSNLIGKTINRFANLHQSTDDLRKKVKMQRLLGQKTASCFQRCVGMDAFNAVFSTTYEIDQKYGTNYHKNFTEYLKYIQENDLIVDGAMTDPKGDRGLAPSAQKDPDLFLRIVEKREDGIVVRGAKAHQTGSINSHEHIIMPTIAMTEADKDYAVSFACPSDADGLFMIYGRQSCDTRKMEEGADIDLGNKQFGGQEALVVFDNVFIPNDRIFLCQEYDFAGMMVERFAGYHRQSYGGCKVGVGDVVIGAAALAADYN--G---------------------------------------------------------AQKASHVKDKLIEMTHLNETLYCCGIACSAEG-Y--PTAAG-NYQIDLLLANVCKQNITRFPYEIVRLAEDIAGGLMVTMPSEADFKSETVVGRDGETIGDFCNKFFAAAPTCTTEERMRVLRFLENICLGASAVGYRTESMHGAGSPQAQRIMIARQGNINAKKELAKAIAGIK-------------------------------  -----------------------------------------------------------------------------------------------------------------MSIGIIL------L---------------------------------------------------------------------------------------II--------------------------------------------------------VVVIAVYVVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYEQTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKKSFFAGIV-----------------------------------------------------------------------------------------------------------------------------------VSIFKKLNEDFVYWNISEEKKQQLEDSRVEL    LSEIEQTNNGDTALSANEARKETLQKAGLFAKSNAYSYLIK------NPDVNFEGITINGYVDLPGRIVQDQKNARAHAVTWDTKVKKQLLDTLNGIVEYDTTFDNYYETVEAINTG---------------------------------------------DGETLKEGI-TD-LRGEIQQNQKYAQQLIEELTKLRDSIGHDVRAFGSNKELLQSILKNQGADVDADQKRLEEVLGSVNYYKQLEGFNVKGAILGLPIIGGIIVGVARDNLGKLEPLLAELRQTVDYKVTLNRVVGVAYSNINEHKALDDAINALTYSTQW-----------HDLDSQYSGVLGHIENAAQKADQNKFKFLKPNLNAAKDSWKTLRTDAVTLKEGIKELKVET-  -----------------------------------------MSIGIILLIIVVVIA--------VY-VVMTYNKLITEIETVKNSEKQIDVQLDRRAKVFDSLVNVVKKYMDYE---QTTLKQVVALRNQANLAKENGDIQERINAENKISDLAKGINVQFENYPELKANQNVIQLQEEITSTENKLAFAKQALNDSIERYNAHKK-SF--FA----------------GI-VV-SIFKKLNE-----------------------------------------------------------------DF--VYWNIS-----EEKKQQLEDSRVE-----------------------------------------------------------L

(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

Rank	TM-score	RMSDa	IDENa	Cov.	EC-Score	PDB Hit	EC No.
1	0.4845	4.55	0.08	0.76	0.5020	1ntyA	2.7.11.1
2	0.5179	3.70	0.08	0.69	0.5007	2frvD	1.12.2.1
3	0.4931	4.62	0.08	0.74	0.4938	3e04D	4.2.1.2
4	0.4796	5.01	0.08	0.75	0.4925	1n8qA	1.13.11.12
5	0.3972	6.01	0.11	0.75	0.4923	1s5jA	2.7.7.7

(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

Rank	TMscore	RMSDa	IDENa	Cov.	PDB Hit	Fh-Score	Associated GO Terms
1	0.5383	4.52	0.08	0.81	1ki1D	0.57	GO:0005085 GO:0005089 GO:0005509 GO:0005515 GO:0043169 GO:0006897 GO:0007154 GO:0010324 GO:0035023 GO:0048488 GO:0065007 GO:0005622 GO:0005623 GO:0005886 GO:0012505 GO:0019717 GO:0030027 GO:0030054 GO:0031252 GO:0045202
2	0.5944	3.05	0.06	0.74	1qoyA	0.57	GO:0001906 GO:0009405 GO:0009987 GO:0019835 GO:0019836 GO:0044004 GO:0051701 GO:0051702 GO:0051715 GO:0051818 GO:0051851 GO:0052025 GO:0052111 GO:0052331 GO:0052332 GO:0005576 GO:0005623 GO:0016020 GO:0016021 GO:0042597
3	0.4698	3.41	0.11	0.64	1r0dI	0.55	GO:0003779 GO:0035091 GO:0006898 GO:0010324 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0005905 GO:0012505 GO:0030136 GO:0031410 GO:0043229 GO:0043231 GO:0044444
4	0.5343	4.24	0.07	0.80	2rgnE	0.54	GO:0005085 GO:0005089 GO:0007154 GO:0035023 GO:0065007 GO:0005622 GO:0005623 GO:0005737
5	0.5105	4.54	0.08	0.80	2z0qA	0.54	GO:0005085 GO:0005089 GO:0007154 GO:0035023 GO:0065007 GO:0005622 GO:0005623 GO:0005737
6	0.5105	4.54	0.08	0.80	2z0qA	0.54	GO:0005085 GO:0005089 GO:0007154 GO:0035023 GO:0065007 GO:0005622 GO:0005623 GO:0005737
7	0.5217	4.29	0.08	0.73	2d4yB	0.54	GO:0003774 GO:0005198 GO:0001539 GO:0006928 GO:0009296 GO:0010926 GO:0043064 GO:0044085 GO:0005576 GO:0005623 GO:0009288 GO:0009424
8	0.5080	4.75	0.08	0.80	1foeG	0.54	GO:0005057 GO:0005085 GO:0005089 GO:0005543 GO:0046875 GO:0009653 GO:0009987 GO:0032501 GO:0048869 GO:0050789 GO:0065007 GO:0005622 GO:0005623 GO:0005886
9	0.5427	4.55	0.06	0.83	2pz1A	0.53	GO:0005085 GO:0005089 GO:0019904 GO:0007154 GO:0035023 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005886 GO:0042995
10	0.4739	4.87	0.09	0.73	2iukB	0.53	GO:0005506 GO:0009055 GO:0016165 GO:0043169 GO:0051213 GO:0009058 GO:0009987 GO:0031407 GO:0031408 GO:0032787 GO:0044249 GO:0046394 GO:0055114 GO:0005622 GO:0005623 GO:0005737

Consensus Prediction of Gene Ontology terms
Molecular Function    Biological Process   Cellular Location GO term GO-Score    GO term GO-Score   GO term GO-Score GO:0005085 0.327    GO:0009987 0.545    GO:0005623 0.545 GO:0030695 0.327    GO:0050789 0.327    GO:0044464 0.545 GO:0030234 0.327    GO:0065007 0.327    GO:0005622 0.435 GO:0005088 0.327    GO:0007165 0.273    GO:0005737 0.324 GO:0005083 0.327    GO:0007154 0.273    GO:0044424 0.324 GO:0005089 0.327    GO:0007266 0.273    GO:0016020 0.276 GO:0005488 0.325    GO:0007264 0.273    GO:0005886 0.219 GO:0005515 0.219    GO:0007265 0.273    GO:0044425 0.169 GO:0043169 0.163    GO:0050794 0.273    GO:0042995 0.164 GO:0043167 0.163    GO:0007242 0.273    GO:0012505 0.112

(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: ILE: 39    GLN: 42    LEU: 43    ARG: 45    ARG: 46    ALA: 47    VAL: 49    PHE: 50    LEU: 53    VAL: 71    LEU: 74    ARG: 90    ILE: 91    ALA: 93    GLU: 94    ASN: 95    LYS: 96    ILE: 97    SER: 98    LEU: 100    ALA: 101    ILE: 104    ILE: 121    GLN: 122    LEU: 123    GLN: 124    GLU: 125    GLU: 126    ILE: 127    THR: 128    THR: 130    GLU: 131    LEU: 134

Identified analogs with similar binding site: Rank PDB Hit TM-score RMSDa IDENa Cov. BS-score Download Complex Binding site residues on the predicted model 1 1tguA 0.4126 5.42 0.09 0.71 0.72 Download 39,42,43,45,46,47,49,50,53,71,74,90,91,93,94,95,96,97,98,100,101,104,121,122,123,124,125,126,127,128,130,131,134 2 2z1qB 0.4824 4.50 0.03 0.70 0.41 Download 57,61,63,64,65,66,67,68,70,71,100,103,104,105,106,107,108,109,110 3 3mdeA 0.4686 4.14 0.07 0.68 0.31 Download 106,143,144,146,147,150 4 1pw6B 0.3774 3.67 0.10 0.52 0.29 Download 61,63,64,66,67,70,96,100,104,107,108,110,111 5 1sirA 0.4616 4.06 0.05 0.65 0.28 Download 140,143,144,146,147,150,153,178 6 1egcA 0.4742 4.21 0.07 0.68 0.27 Download 1,2,3,4,5,6,7,21,22,25,26,28,29,31,35,144,145,147,148,149,150,151,152,153,154,155,156,159 7 1a4eA 0.4160 5.59 0.05 0.74 0.21 Download 42,43,44,45,46,47,48,49,50,51,52,53,54,75,94,122,123,126,127,129,130,131 8 2iufA 0.4039 5.80 0.06 0.74 0.21 Download 42,43,45,46,47,48,49,50,51,52,53,54,55,56,75,119,122,123,125,126,127,128,130,131 9 1cwqA 0.4197 4.11 0.07 0.60 0.20 Download 35,36,38,39,40,41,42,43,87,90,91,94,130,134,138,141,171,172,173 10 1bucA 0.4808 4.18 0.04 0.68 0.19 Download 1,2,3,4,5,7,22,25,26,28,29,144,147,148,149,150,151,152,153,154,155,156,158,159,160,163 (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.