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I-TASSER results for job id S34338

Submitted Sequence

>CYP17A1
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKY
GPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAH
WQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVIS
LICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRN
DLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIF
GAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREV
LRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNP
AGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIP
KVVFLIDSFKVKIKVRQAWREAQAEGST

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST
Prediction	CHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCSSCCHHHHCCCCCHHHHHHHHHHHHCCSSSSSSCCSSSSSSCCHHHHHHHHHHCCHHHCCCCCCHHHHHHHCCCCCSSSCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHCCCCCCCHHHHCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCSSCCSSCCCCCSSSSSHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCSCSCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCHHHCCCCCC
Conf.Score	9999999999999999984278999999389988813628772789837699999999859977999889559997899999999985878447999708999982799746967988899999999999987236426889999999999999999973899758699999999999999980987788998999999999999999665619999999998697789999999999999999999999862799997669999999998642047876655566678999999999986302789999999999987698999999999999819999989666402869999999998636773456660047870787984299998998558862895547895564841135988875478986450578764468568999999999999999860604789989776677677314688759999878881674034679

Top 5 Models predicted by I-TASSER


Download Model 1	Download Model 2	Download Model 3	Download Model 4	Download Model 5
C-score=-0.33	C-score=-1.22	C-score=-0.67	C-score=-0.82	C-score=-1.34

Estimated accuracy of Model1: 0.67±0.13 (TM-score) 8.1±4.4Å (RMSD) (Read more about C-score of generated models)

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                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460                 480                 500
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |        

Sec.Str
Seq

CHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCSSCCHHHHCCCCCHHHHHHHHHHHHCCSSSSSSCCSSSSSSCCHHHHHHHHHHCCHHHCCCCCCHHHHHHHCCCCCSSSCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHCCCCCCCHHHHCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCSSCCSSCCCCCSSSSSHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCSCSCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCHHHCCCCCC
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST

1z10A

0.26

0.91

3.30

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-----------------------KGKLPPGPTPLPFIGNYLQLN-TEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKG-YGVVFS-NGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSLYEMFSSVMKHLPG-PQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEE------KNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFK--KSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKVGFATIPRNYTMSFLPR------------

1r9oA

0.26

0.28

0.89

2.84

Download

-----------------------RGKLPPGPTPLP-----LQIGI-KDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANR--GFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWI----PIIDYFP-GTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEK------EKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNF--KKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPNLDTTPVVNGFASVPPFYQLCFIPIHH----------

3czhA

0.27

0.26

0.91

4.38

Download

-------------------------GFPPGPPGLPFIGNIYSLAASSLPHVYMRKQSQVYGEIFSLDLGGISTVVLNGYDVVKECLVHQSEIFADRPCLPLFMKMTKM-GGLLNSRYGRGWVDHRRLAVNSFRYFGYGQKSFESKILEETKFFNDAIETYKGRPFDFKQLITNAVSNITNLIIFGERFTYEDTDFQHMIELFSENVELAASAFLYNAFPWIGILPFGKHQQLFRNAAVVYDFLSRLIEKASVNRKPQLPQHFVDAYLDEMDQ------GKNDPSSTFSKENLIFSVGELIIAGTETTTNVLRWAILFMALYPNIQGQVQKEIDLIMGPNGKPSWDDKCKMPYTEAVLHEVLRFCNIVPLGIFHATSEDAVVRGYSIPKGTTVITNLYSVHFDEKYWRDPEVFHPERFLDSSGY--FAKKEALVPFSLGRRHCLGEHLARMEMFLFFTALLQRFHLHFPHELV-PDLKPRLGMTLQPQPYLICAERRH-----------

2ojdA

0.27

0.26

0.91

5.54

Download

--------------------------FPPGPPGLPFIGNIYSLASSELPHVYMRKQSQVYGEIFSLDLGGISTVVLNGYDVVKECLVHQSEIFADRPCLPLFMKMTKM-GGLLNSRYGRGWVDHRRLAVNSFRYFGYGQKSFESKILEETKFFNDAIETYKGRPFDFKQLITNAVSNITNLIIFGERFTYEDTDFQHMIELFSENVELAASVFLYNAFPWIGILPFGKHQQLFRNAAVVYDFLSRLIEKASVNRKPQLPQHFVDAYLDEMDQGKNDPS------STFSKENLIFSVGELIIAGTETTTNVLRWAILFMALYPNIQGQVQKEIDLIMGPNGKPSWDDKCKMPYTEAVLHEVLRFCNIVPLGIFHATSEDAVVRGYSIPKGTTVITNLYSVHFDEKYWRDPEVFHPERFLDSSGYF--AKKEALVPFSLGRRHCLGEHLARMEMFLFFTALLQRFHLHFPHELV-PDLKPRLGMTLQPQPYLICAERRH-----------

1z10A

0.26

0.91

4.70

Download

-----------------------KGKLPPGPTPLPFIGNYLQLN-TEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKG-YGVVFS-NGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTYEMFSSVMKHLPG-PQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEE------KNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFK--KSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKVGFATIPRNYTMSFLPR------------

1r9oA

0.26

0.28

0.89

2.74

Download

-----------------------RGKLPPGPTPLP-----LQIG-IKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRG-FGIVFSN-GKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKISPWI------PIIDYFPGTHNKLLKN-VAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEK------HNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGN--FKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVNGFASVPPFYQLCFIPIHH----------

1dt6A

0.25

0.27

0.86

5.42

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----------------------PPGPTPFPI-IGNI---LQIDA-DI--SKSLTKFSECYGPVFTVYL-MKPTVVLHGYEAVKEALVDLGE-------VPILEKVSKGLGIAFSNA--KTWKEMRRFSLMTLRNFGMGKRSIEDRIQEEARCLVEELRKTN-A-SPCDPTFGCAPCNVICSVIFHNRFDY-KDEEFLKLMESLHENVELLGTPL-------DYFPGIHKTLLKNADYIKNFIMEKVKEHQKLLD-VNNPRDFIDCFLIKM---------EQENNLEFTLESLVIAVSDLFGAGTETTSTTLRYSLLLLLKHPEVAARVQEEIERVIGRHRSPCMQDRSRMPYTDAVIHEIQRFIDLLPTNLPHAVTRDVRF-NYFIPKGTDIITSLTSVLHDEKAF-NPKVFDPGHFLDESGNFKKSD--YFMPFSAGKRMCVGEGLARMELFLFLTSILQNFKLQSLVEPKDLDITAVVNGFVSVPPS-YQLCFIPIHH--------

1r9oA

0.26

0.28

0.89

2.92

Download

-----------------------RGKLPPGPTPLP-----LQIGI-KDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGF-GIVFSN-GKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKSSPWI-------IIDYFPGTHNKLLKNV-AFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEK------HNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGN--FKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVNGFASVPPFYQLCFIPIH-----------

2ojdA

0.27

0.26

0.91

3.92

Download

--------------------------FPPGPPGLPFIGNIYSLAASSEPHVYMRKQSQVYGEIFSLDLGGISTVVLNGYDVVKECLVHQSEIFADRPCLPLFMKMTKMG-GLLNSRYGRGWVDHRRLAVNSFRYFGYGQKSFESKILEETKFFNDAIETYKGRPFDFKQLITNAVSNITNLIIFGERFTYEDTDFQHMIELFSENVELAASAFLYNAFPWIGILPFGKHQQLFRNAAVVYDFLSRLIEKASVNRKPQLPQHFVDAYLDEMDQGK------NDPSSTFSKENLIFSVGELIIAGTETTTNVLRWAILFMALYPNIQGQVQKEIDLIMGPNGKPSWDDKCKMPYTEAVLHEVLRFCNIVPLGIFHATSEDAVVRGYSIPKGTTVITNLYSVHFDEKYWRDPEVFHPERFLDSSG--YFAKKEALVPFSLGRRHCLGEHLARMEMFLFFTALLQRFHLHFPHELV-PDLKPRLGMTLQPQPYLICAERRH-----------

2hi4A

0.28

0.29

0.93

3.24

Download

-------------------RVPKGLKSPPEPWGWPLLGHVLTLG--KNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDYLEEHVSKEAKALISRLQELGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKG------PRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVK-VDLTPIYGLTMKHARCEHVQARRFS----------

(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	RMSD^a	IDEN^a	Cov.	PDB Hit
1	0.8987	0.80	0.27	0.91	2ojdA Model1

2	0.8754	1.66	0.26	0.91	1z10A Model1

3	0.8688	1.62	0.27	0.90	3e4eA Model1

4	0.8674	2.29	0.28	0.92	2hi4A Model1

5	0.8370	2.00	0.25	0.88	1dt6A Model1

6	0.8251	2.45	0.26	0.88	2f9qA Model1

7	0.7873	2.72	0.19	0.86	3eqmA Model1

8	0.7862	3.19	0.23	0.88	1tqnA Model1

9	0.7757	3.30	0.23	0.86	1po5A Model1

10	0.7738	3.32	0.21	0.88	1jpzA Model1

Structural alignment using TM-align
--------------------------FPPGPPGLPFIGNIYSLAASSELPHVYMRKQSQVYGEIFSLDLGGISTVVLNGYDVVKECLVHQSEIFADRPCLPLFMKMTKM-GGLLNSRYGRGWVDHRRLAVNSFRYFGYGQKSFESKILEETKFFNDAIETYKGRPFDFKQLITNAVSNITNLIIFGERFTYEDTDFQHMIELFSENVELAASASVFLYNAFPWIGILPFGKHQQLFRNAAVVYDFLSRLIEKASVNRKPQLPQHFVDAYLDEMDQ-----G-KNDPSSTFSKENLIFSVGELIIAGTETTTNVLRWAILFMALYPNIQGQVQKEIDLIMGPNGKPSWDDKCKMPYTEAVLHEVLRFCNIVPLGIFHATSEDAVVRGYSIPKGTTVITNLYSVHFDEKYWRDPEVFHPERFLDSSGY--FAKKEALVPFSLGRRHCLGEHLARMEMFLFFTALLQRFHLHFPHEL-VPDLKPRLGMTLQPQPYLICAERR--H--------- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRH-GHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKD--SLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST

----------------K--G-----KLPPGPTPLPFIGNYLQLNT-EQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKG-YGVVFSN-GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQE-----E-EKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQ--FKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR------------ MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSK-D-SLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEG-IPKVVFLIDSFKVKIKVRQAWREAQAEGST

-------------------------KLPPGPFPLPIIGNLFQLEL-KNIPKSFTRLAQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAF-HAHRD-RGIIFNNGP-TWKDIRRFSLTTLRN-YG-QG-NESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVIADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVAEVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKE------KHSAERLYTMDGITVTVADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRFITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK--FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGCIPPRYKLCVIPR--S---H----- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSK-D-SLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEG-IPKVVFLIDSFKVKIKVRQAWREAQAEGST

-------------------RVPKGLKSPPEPWGWPLLGHVLTLG--KNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG-QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGP--RA---SGNLIPQEKIVN-LVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGV-KVDLTPIYGLTMKHARCEHVQARRFS---------- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFA-DSGAHWQLHRRLAMATFALFKDGD------QKL-EKIICQEISTLCDMLATHNG--QSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPS-VSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST

-------------------------PPGPTPFPIIG-NILQID--AKDISKSLTKFSECYGPVFTVYLGMKPTVVLHGYEAVKEALVDLGEEFAGRG-SVPILEKVSKGLGIAFSN-AKTWKEMRRFSLMTLRNFGMGKRSIEDRIQEEARCLVEELRKTNASPCDPTFILGCAPCNVICSVIFHNRFDYKDEEFLKLMESLHENVELLGT-P------LDY--FPGIHKTLLKNADYIKNFIMEKVKEHQKLLDVNNPRDFIDCFLIK-MEQE---NN-----LEFTLESLVIAVSDLFGAGTETTSTTLRYSLLLLLKHPEVAARVQEEIERVIGRHRSPCMQDRSRMPYTDAVIHEIQRFIDLLPTNLPHAVTRDVRFRNYFIPKGTDIITSLTSVLHDEKAFPNPKVFDPGHFLDESGNF-KK-SDYFMPFSAGKRMCVGEGLARMELFLFLTSILQNFKLQSLVEPKDLDITAVVNGFVSVPPSYQLCFIPI---HH------- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDG-QLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST

---------------------------PPGPLPLP--------Q--N-TPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVDRHIPAL---AGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAK------GNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGMTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGH--FVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR------------ MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNN-R-KGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKD-SLV-DLV-PW-LKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDS-ITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST

----------------S--------S-IPGPGYCMGIGPLISHGRFLW-MGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMK--HNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGL--VRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPL--DESAIVVKIQGYFDAWQALL--I-K-P-DIFFKISWL-YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKR-----GD-------LTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIG-ERDIKIDDIQKLKVMENFIYESMRYQPVVDLV-MRKALEDDVIDGYPVKKGTNIILNIGRMHRL-EFFPKPNEFTLENFAK------NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRN----------- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLS---LPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMA-TLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLAT-HN-GQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKF--R-SDS-ITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLID---S-FKVKIKVRQAWREAQAEGST

HSHG--------------------LF--KKLGIPGPTPLPFLGNILSYH--KGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPF-G--PVGFMKSAISIAEDE-EWKRLRSLLSPTFTSGKLKE--MVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLL--RFDFLDPFFLSITVFPFLIPILEV----LN-ICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSS---HKA-------LSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRL-ERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKK--N--KDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKET-QIPLKLSLGGLLQPEKPVVLKVESRD--G---T---- ----MWELVALLLLTLAYLFWPKRR-CPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGK-DFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATH-N-GQSIDISFPVFVAVTNVISLICFNTSYKN--GDP-ELNVIQNYNEGIIDNLSKD--SLVDLVPWLKIFP--NKTLE-KLKSHVKIRNDLLNKILENYKE-KFRSDS-IT-NMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPS-V-SYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLI-DSFKVKIKVRQAWREAQAEGST

-------------------G-----KLPPGPSPLPVLGNLLQMDRKG-LLRSFLRLREKYGDVFTVYLGSRPVVVLCGTDAIREALVDQAEAFSGRGKIAVVDPIFQGYGVIFANGER---WR--ALRRFSLATMRDFGM--GK--RSVEERIQEEARCLVEELRKSKGALLDNTLLFHSITSNIICSIVFGKRFDYKDPVFLRLLDLFFQSFSLISSFSSQVFELFSG---------------FLKHF-PGTHRQIYRNLQEINTFIGQSVEKHRATLDPSNPRDFIDVYLLRMEKDK----SDPS---SE-FHHQNLILTVLSLFFAGTETTSTTLRYGFLLMLKYPHVTERVQKEIEQVIGSHRPPALDDRAKMPYTDAVIHEIQRLGDLIPFGVPHTVTKDTQFRGYVIPKNTEVFPVLSSALHDPRYFETPNTFNPGHFLDANGA--LKRNEGFMPFSLGKRICLGEGIARTELFLFFTTILQNFSIASPVPPEDIDLTPRESGVGNVPPSYQIRFLAR--H--------- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMA-TL------DIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNL-------------SKDSLVDLVPWLKIFPNKT-LEKLKSHVKIRNDLLNKILENYKEK-F-RSDS--ITNMLDTLMQAKMNSDNGNAGPD-QDSE-LLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPK-VVFLIDSFKVKIKVRQAWREAQAEGST

------------T---I--------KEMPQPKTFGELKNLPLLNT-DKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEAC-DESRFDKNLSQALKFVRDFAG--DGLFTSWTHEKNWKKAHNILLPSFSQQAM--KGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQR-ANPDD-PAYDENKRQFQEDIKVMNDLVDKIIADRKAS----QSDDLLTHMLNGKDPE--TGEP-------LDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLV-DPVPSYKQVKQLKYVGMVLNEALRLWPTAPA-FSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFE------NPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDH--TN-YELDIKETLTLKPEGFVVKAKSK---K-IP-LGGI-- MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQM-ATLDIASNNRKGIAFADSG-AHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNG-QSIDISFPVFVAVTNVISLICFNTSYKNGDP-ELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGE-FAVDKGTEVIINLWALHHNEKEWH-QPDQFMPERFLNPAGTQLISPSV--SYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEG--ST

(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)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a 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	RMSD^a	IDEN^a	Cov.	EC-Score	PDB Hit	EC No.
1	0.7235	3.73	0.60	0.85	2.1260	2c17A	1.14.99.9

2	0.6987	4.18	0.46	0.85	1.7538	1jo9A	1.14.99.9

3	0.8987	0.80	0.27	0.91	1.6798	2ojdA	1.14.13.15

4	0.8692	1.61	0.27	0.90	1.5439	3e6iB	1.14.14.1

5	0.8674	2.29	0.28	0.92	1.5392	2hi4A	1.14.14.1

(a)	Ranking is based on EC-score, which is a confidence score for the Enzyme Classification (EC) Number prediction.
(b)	RMSD^a is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)	IDEN^a 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, IDEN^a,RMSD^a 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	RMSD^a	IDEN^a	Cov.	PDB Hit	Fh-Score	Associated GO Terms
1	0.9005	0.99	0.27	0.91	3c6gB	1.65	GO:0004497 GO:0005506 GO:0009055 GO:0020037 GO:0030343 GO:0043169 GO:0047749 GO:0009987 GO:0042359 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
2	0.8758	1.54	0.27	0.91	2pg7B	1.55	GO:0004497 GO:0005506 GO:0008389 GO:0009055 GO:0016712 GO:0019825 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
3	0.8674	2.29	0.28	0.92	2hi4A	1.54	GO:0004497 GO:0005506 GO:0009055 GO:0016712 GO:0019825 GO:0020037 GO:0032451 GO:0043169 GO:0006091 GO:0006725 GO:0009058 GO:0009410 GO:0009791 GO:0009987 GO:0019222 GO:0019748 GO:0035295 GO:0044249 GO:0046483 GO:0048856 GO:0051186 GO:0055114 GO:0060255 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
4	0.8687	1.62	0.27	0.90	3e4eB	1.54	GO:0004497 GO:0005506 GO:0009055 GO:0016712 GO:0019825 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
5	0.8750	1.62	0.26	0.91	2pg7D	1.53	GO:0004497 GO:0005506 GO:0009055 GO:0016712 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
6	0.8637	1.92	0.26	0.91	2vn0A	1.49	GO:0004497 GO:0005506 GO:0009055 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
7	0.8605	1.92	0.26	0.90	1nr6A	1.49	GO:0004497 GO:0005506 GO:0009055 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
8	0.8703	1.79	0.25	0.91	2q6nG	1.48	GO:0004497 GO:0005506 GO:0009055 GO:0016712 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
9	0.8386	2.41	0.27	0.89	1r9oA	1.45	GO:0004497 GO:0005506 GO:0009055 GO:0018675 GO:0018676 GO:0020037 GO:0033767 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444
10	0.8211	2.40	0.25	0.87	2f9qD	1.38	GO:0004497 GO:0005506 GO:0009055 GO:0016712 GO:0020037 GO:0043169 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016020 GO:0042175 GO:0043229 GO:0044432 GO:0044444

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:0009055 1.346    GO:0055114 1.346    GO:0005737 1.359

GO:0020037 1.346    GO:0044237 0.504    GO:0005623 1.359

GO:0043169 1.346    GO:0009987 0.504    GO:0005622 1.359

GO:0004497 1.346    GO:0009058 0.274    GO:0043229 1.219

GO:0005506 1.346    GO:0044249 0.274    GO:0016020 1.219

GO:0016712 0.605    GO:0006629 0.258    GO:0042175 1.219

GO:0016709 0.501    GO:0044238 0.258    GO:0005783 1.219

GO:0019825 0.346    GO:0006066 0.183    GO:0012505 1.219

GO:0047749 0.158    GO:0044255 0.183    GO:0005792 1.219

GO:0030343 0.158    GO:0016125 0.183    GO:0044432 1.219

(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, IDEN^a, RMSD^a 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) RMSD^a is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.

(c) IDEN^a 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:

ARG:	96	ILE:	112	ALA:	113	PHE:	114	PHE:	132	ILE:	179	ASP:	298
ILE:	299	ALA:	302	GLY:	303	THR:	306	THR:	307	VAL:	310	LEU:	361
VAL:	366	ALA:	367	LEU:	370	ILE:	371	PRO:	372	HIS:	373	LEU:	396
PRO:	434	PHE:	435	GLY:	436	ARG:	440	SER:	441	CYS:	442	ILE:	443
GLY:	444	LEU:	447	ALA:	448	GLU:	451	LEU:	452

Identified analogs with similar binding site:

Rank PDB
Hit TM-score RMSD^a IDEN^a Cov. BS-score Download
Complex Binding site residues on the predicted model

1 2iagA 0.7421 3.54 0.15 0.85 0.80 Download 96,112,113,114,132,179,298,299,302,303,306,307,310,361,366,367,370,371,372,373,396,434,435,436,440,441,442,443,444,447,448,451,452

2 2ojdB 0.9004 0.99 0.27 0.91 0.58 Download 96,112,113,121,125,132,299,302,303,306,307,310,361,367,370,371,373,396,434,435,436,440,441,442,443,444,445,447,448,452

3 1tqnA 0.7862 3.19 0.23 0.87 0.58 Download 96,112,113,121,125,132,179,299,302,303,304,306,307,310,366,367,370,371,373,396,434,435,436,437,440,441,442,443,444,447,448,451,452

4 1w0eA 0.7656 2.90 0.23 0.84 0.52 Download 96,112,113,121,125,132,179,299,302,303,306,307,310,366,367,370,371,373,396,434,435,436,437,440,441,442,443,444,447,448,451,452

5 1z10A 0.8754 1.66 0.26 0.91 0.47 Download 96,112,113,121,125,132,299,302,303,306,307,310,361,366,367,370,371,373,396,434,435,436,437,440,441,442,443,444,447,448,451,452

6 1suoA 0.8697 1.86 0.25 0.90 0.43 Download 114,206,209,302,303,306,371,442,482,483

7 2f9qA 0.7176 2.21 0.26 0.76 0.42 Download 96,112,113,121,125,132,179,299,302,303,306,307,310,361,366,367,370,371,373,396,434,435,436,440,441,442,443,444,447,448,451,452

8 1n6bA 0.8589 1.94 0.26 0.90 0.40 Download 102,105,113,114,202,203,205,206,209,236,239,240,297,298,301,302,305,371,482,483

9 2w0aA 0.7061 3.64 0.16 0.82 0.36 Download 96,102,112,113,114,115,209,302,306,370,371,372,440,442,482

10 2q9fA 0.7489 2.91 0.19 0.82 0.34 Download 96,112,113,114,121,125,132,179,298,299,302,303,306,307,310,366,367,370,371,372,373,396,434,435,436,440,442,443,444,448

(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, IDEN^a 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) RMSD^a the RMSD between residues that are structurally aligned by TM-align.

(d) IDEN^a 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).