I-TASSER results

I-TASSER results for job id Rv1983

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Input Sequence in FASTA format

>protein (558 residues)
MSFLVVVPEFLTSAAADVENIGSTLRAANAAAAASTTALAAAGADEVSAAVAALFARFGQ
EYQAVSAQASAFHQQFVQTLNSASGSYAAAEATIASQLQTAQHDLLGAVNAPTETLLGRP
LIGDGAPGTATSPNGGAGGLLYGNGGNGYSATASGVGGGAGGSAGLIGNGGAGGAGGPNA
PGGAGGNGGWLLGNGGIGGPGGASSIPGMSGGAGGTGGAAGLLGWGANGGAGGLGDGVGV
DRGTGGAGGRGGLLYGGYGVSGPGGDGRTVPLEIIHVTEPTVHANVNGGPTSTILVDTGS
AGLVVSPEDVGGILGVLHMGLPTGLSISGYSGGLYYIFATYTTTVDFGNGIVTAPTAVNV
VLLSIPTSPFAISTYFSALLADPTTTPFEAYFGAVGVDGVLGVGPNAVGPGPSIPTMALP
GDLNQGVLIDAPAGELVFGPNPLPAPNVEVVGSPITTLYVKIDGGTPIPVPSIIDSGGVT
GTIPSYVIGSGTLPANTNIEVYTSPGGDRLYAFNTNDYRPTVISSGLMNTGFLPFRFQPV
YIDYSPSGIGTTVFDHPA

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFLVVVPEFLTSAAADVENIGSTLRAANAAAAASTTALAAAGADEVSAAVAALFARFGQEYQAVSAQASAFHQQFVQTLNSASGSYAAAEATIASQLQTAQHDLLGAVNAPTETLLGRPLIGDGAPGTATSPNGGAGGLLYGNGGNGYSATASGVGGGAGGSAGLIGNGGAGGAGGPNAPGGAGGNGGWLLGNGGIGGPGGASSIPGMSGGAGGTGGAAGLLGWGANGGAGGLGDGVGVDRGTGGAGGRGGLLYGGYGVSGPGGDGRTVPLEIIHVTEPTVHANVNGGPTSTILVDTGSAGLVVSPEDVGGILGVLHMGLPTGLSISGYSGGLYYIFATYTTTVDFGNGIVTAPTAVNVVLLSIPTSPFAISTYFSALLADPTTTPFEAYFGAVGVDGVLGVGPNAVGPGPSIPTMALPGDLNQGVLIDAPAGELVFGPNPLPAPNVEVVGSPITTLYVKIDGGTPIPVPSIIDSGGVTGTIPSYVIGSGTLPANTNIEVYTSPGGDRLYAFNTNDYRPTVISSGLMNTGFLPFRFQPVYIDYSPSGIGTTVFDHPA
Prediction	CCEEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEHCCCCEEEEEHCCCCCCEEEEHCCCCCEEEEHHHCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCEEHCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCEEEHCCCCCCCCCEEHCCCCEEEEEEEHCCCCCCCCCEEEHCCCCCCCCCCEHCCCCCCCCCEEEEEEHCCCCEEEEEEHCCCCCCCEHCCCCCCCCCCCCCCCCEEEHCCCCCCCEEEHCCCC
Conf.Score	976874559999999999999889999987766665434566666689999999999989999999999999999999999867766555667766788888777577777566655788888888898999999888656678999999888888888888778888888999888888888788887667888888888888888888877777788877788888888777888876567777677888776777888888888666699986689879998589988658996688867874544788765556788877876556886799986656567658875468875689987578888877666555567876444456677788875888678888999886544688877886788657876897788888986787577656788886798876666566468776766644558887789857999985996799999768988857648877766556666877876688887667866899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFLVVVPEFLTSAAADVENIGSTLRAANAAAAASTTALAAAGADEVSAAVAALFARFGQEYQAVSAQASAFHQQFVQTLNSASGSYAAAEATIASQLQTAQHDLLGAVNAPTETLLGRPLIGDGAPGTATSPNGGAGGLLYGNGGNGYSATASGVGGGAGGSAGLIGNGGAGGAGGPNAPGGAGGNGGWLLGNGGIGGPGGASSIPGMSGGAGGTGGAAGLLGWGANGGAGGLGDGVGVDRGTGGAGGRGGLLYGGYGVSGPGGDGRTVPLEIIHVTEPTVHANVNGGPTSTILVDTGSAGLVVSPEDVGGILGVLHMGLPTGLSISGYSGGLYYIFATYTTTVDFGNGIVTAPTAVNVVLLSIPTSPFAISTYFSALLADPTTTPFEAYFGAVGVDGVLGVGPNAVGPGPSIPTMALPGDLNQGVLIDAPAGELVFGPNPLPAPNVEVVGSPITTLYVKIDGGTPIPVPSIIDSGGVTGTIPSYVIGSGTLPANTNIEVYTSPGGDRLYAFNTNDYRPTVISSGLMNTGFLPFRFQPVYIDYSPSGIGTTVFDHPA
Prediction	311000001201000310330220021010000000000012222100000000001003101000200020010002001100200020112013213211320130242222101112111212422243221100000000111111222222221110011111312111231222112111200101122122222222323233312123323322322213111112131022221221122220102032114233232010001023221010101033123010000120100001023024333134011120121131010000010313000301212021301010000002224232231232214322221012113222010000000124123231002102230330100223302010011225334130110210202030451323303110211111000010103423123404010202442210122223433020123220000000012000100120411011213248
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Normalized B-facotr

(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. (Click here to read more about predicted normalized B-factor)

Top 10 threading templates used by I-TASSER

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Zscore

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                 520                 540

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCEEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHCCCCCCCCCCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEHCCCCEEEEEHCCCCCCEEEEHCCCCCEEEEHHHCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCEEHCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCEEEHCCCCCCCCCEEHCCCCEEEEEEEHCCCCCCCCCEEEHCCCCCCCCCCEHCCCCCCCCCEEEEEEHCCCCEEEEEEHCCCCCCCEHCCCCCCCCCCCCCCCCEEEHCCCCCCCEEEHCCCC
MSFLVVVPEFLTSAAADVENIGSTLRAANAAAAASTTALAAAGADEVSAAVAALFARFGQEYQAVSAQASAFHQQFVQTLNSASGSYAAAEATIASQLQTAQHDLLGAVNAPTETLLGRPLIGDGAPGTATSPNGGAGGLLYGNGGNGYSATASGVGGGAGGSAGLIGNGGAGGAGGPNAPGGAGGNGGWLLGNGGIGGPGGASSIPGMSGGAGGTGGAAGLLGWGANGGAGGLGDGVGVDRGTGGAGGRGGLLYGGYGVSGPGGDGRTVPLEIIHVTEPTVHANVNGGPTSTILVDTGSAGLVVSPEDVGGILGVLHMGLPTGLSISGYSGGLYYIFATYTTTVDFGNGIVTAPTAVNVVLLSIPTSPFAISTYFSALLADPTTTPFEAYFGAVGVDGVLGVGPNAVGPGPSIPTMALPGDLNQGVLIDAPAGELVFGPNPLPAPNVEVVGSPITTLYVKIDGGTPIPVPSIIDSGGVTGTIPSYVIGSGTLPANTNIEVYTSPGGDRLYAFNTNDYRPTVISSGLMNTGFLPFRFQPVYIDYSPSGIGTTVFDHPA

4ehcA

0.45

0.22

0.49

1.60

MUSTER

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSSHHHHHHSSGTLTNATVPLQLVNTTEPVVFISLNGGQ-VPVLLDTGSTGLVDSQFL------TQNFGPVIGTGTAGYAGGLTYNYNTYSTTVDFGNGLLTLPTSVNVVTSSSPGT-------------------LGNFLSRSGAVGVLGIGPNNGFPGTSSIVTA-PGLLNNGVLIDESAGILQFGPNTLT-GGITISGAPISTVAVQIDNGP-LQQAPVFDSGGINGTIPSALASGGFVPAGTTISVYTSDGQTLLYSYTTTATNTPFVTSGGVNTGHVPFAQQPIYVSYSPTIGTTT------

1dabA

0.17

0.15

0.92

1.19

MUSTER

QSIVKTG-----------RQHGIHIQGSDPGRTASGTTIKVSGRQAQGILLE---NPAA----ELQFRNGSV-TSSGQLSDDGIRRFLGTVTVKAGKLVADHATLANVGDTWDDDGIALYVAGEQAQASADSTLQGAGGVQIERGANVTVQRSAIVDGGLHIGALQSLQPEDLPPTNVTAVPASGAPAAVSVLGASELTLDGGHITGGRAAGVAAMQGAVVHLQRATIRRGDALAGGAVPGGAVPGGAVPGGFGPGGFGPVLDGWYGVDVSGSSVELAQSIVEAPELG---AAIRVGRGARVTVPGGSLSAPHGNVIETGGARRFAPQAAP---LSITLQAGAHAQ-GKALLYRVLPEPVKLTLTGGADAQGDIVATELPSIPGTSIGPLDVALASQARWTGATRAVDSLSIDNATWVMTDNSNVGALRLASDGSVDFQQPAEAGRFKVLTGSGLFRMNVFADLGL---SDKLVVMQDASGQHRLWVRNSGSEPASATLLLVQTPLGSAATFTLANKDGKVDI-------GTY------RYRLAA-NGNGQWSLVGAK

4ehcA

0.45

0.22

0.49

2.14

dPPAS

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSSHHHHHHSSGTLTNATVPLQLVNTTEPVVFISLNGGQ-VPVLLDTGSTGLVDSQFLT------QNFGPVIGTGTAGYAGGLTYNYNTYSTTVDFGNGLLTLPTSVNVVTSSSPGT-------------------LGNFLSRSGAVGVLGIGPNNGFPGTSSIVT-APGLLNNGVLIDESAGILQFGPNTL-TGGITISGAPISTVAVQIDNGP-LQQAPVFDSGGINGTIPSALASGGFVPAGTTISVYTSDGQTLLYSYTTTATNTPFVTSGGVNTGHVPFAQQPIYVSYSPTIGTTT------

5gaoE

0.12

0.07

0.61

1.14

dPPAS

--------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---------AAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----------------------------------------------------------------------------------------------------------------------------------------------

4ehcA

0.45

0.22

0.49

3.61

wdPPAS

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSSHHHHHHSSGTLTNATVPLQLVNTTEPVVFISLNGGQ-VPVLLDTGSTGLVDSQFLTQ------NFGPVIGTGTAGYAGGLTYNYNTYSTTVDFGNGLLTLPTSVNVVTSSSPGT-------------------LGNFLSRSGAVGVLGIGPNNGFPGTSSIVT-APGLLNNGVLIDESAGILQFGPNTL-TGGITISGAPISTVAVQIDNG-PLQQAPVFDSGGINGTIPSALASGGFVPAGTTISVYTSDGQTLLYSYTTTATNTPFVTSGGVNTGHVPFAQQPIYVSYSPTIGTTT------

4cvbA

0.15

0.14

0.90

1.13

wMUSTER

-------------------------SAIENFQPVTADDLAGKNPANWPI-----LRGQGWGYSPL-DQINK-----VGDLQMEPGSNEGAAIAYNGVI-GNTNDVIQAIDGKTGSLI-RRKLPSASKFINSLGAAKRSIALFGDVSWDNF-AKTGTNRGQGVEEGVANSSGPIVVDGVGSTCQFSGFGCYVTG-AESGEELWRNTFIPRPGEEGDDTWGGAPYENRWMTGAWGQITYDPELDLVYGSTGAGPASEVQRGTEGGTLAGTNTRFAVKPKTG--VVWKHQTLPRDNWDSECTFEMMVVSTSV--NPDAKADGMMSVGANVPRGETRKVLTGVPCKTGVAWQFDAKTGD--YFWSKATVEQNSIASID----DTGLVTVNEDM-ILKEPGKT--YNYCPTFLGGRDWPSAGYLP---KSNLYVIPLSNACYDVMARTTEATPADVYNTDATLVLAPGKTNMGRV-DAIDTGRAALYDPVLTTGGDLVIDR-DFRALDAESGKEVWSTRLPGAYTTSYSIDAVVSGGGPFGPTTPDVDSASGANGIYVFALPE

4ehcA

0.45

0.22

0.48

1.90

wMUSTER

----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HHHHSSGTLTNATVPLQLVNTTEPVVFISLNGGQ-VPVLLDTGSTGLVDSQFLT------QNFGPVIGTGTAGYAGGLTYNYNTYSTTVDFGNGLLTLPTSVNVVTSSSPGT-------------------LGNFLSRSGAVGVLGIGPNNGFPGTSSIVT-APGLLNNGVLIDESAGILQFGPNTL-TGGITISGAPISTVAVQIDNGP-LQQAPVFDSGGINGTIPSALASGGFVPAGTTISVYTSDGQTLLYSYTTTATNTPFVTSGGVNTGHVPFAQQPIYVSYSPTIGTTT------

1dabA

0.18

0.15

0.82

1.05

wPPAS

--------DWIVKTGE--RQHGIHIQGSDPGGASGTT-IKVSGRQAQGILLE---NPAA----ELQFRNGSV-----QLSDDGIRRFLGTVTVKAGKLVADHATLANVGDTWDDDGIA--VAGEQADSTLQGAGGERGANVT-DGGLHIGALQSLQPEDLPPSRVVLRDTNVTAVPASGAPAASVLGASELTLDGGHITGGRAAGVAAMQGAV----LQRATIRRGDALAGGAVPGGAVPGGAVPGGFGPGGFGPVLDGWYGVDVSGSSVELAIVEAPELGAAIRVGRG--ARVTVPGGSHGNVIE---TG-----------GARRFAPQAAPLSITLQA-GAHAQ-GKALLVLPEPVKLTLTGGAD-----------AQGDIVATELPSIPGTSIGPLDVALASQARWTGATRAVDSL--SIDNARLAS--DGSVDFQ-QPAEAGVNTLAGSGLFRMNVFADLGL----KLVVM-QDASG---------------HRLWVRNSGSEP------ASANTLLLVQTPLGSAA---FTLA--KVD-----IGT--YRYP-

4ehcA

0.46

0.22

0.48

3.97

wPPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSS-----HHHHSSGTLTNATVPLQLVNTTEPVVFISLNGGQ-VPVLLDTGSTGLVDSQFLTQ------NFGPVIGTGTAGYAGGLTYNYNTYSTTVDFGNGLLTLPTSVNVVTSSSPGT-------------------LGNFLSRSGAVGVLGIGPNNGFPGTSSIVT-APGLLNNGVLIDESAGILQFGPNTL-TGGITISGAPISTVAVQIDNG-PLQQAPVFDSGGINGTIPSALASGGFVPAGTTISVYTSDGQTLLYSYTTTATNTPFVTSGGVNTGHVPFAQQPIYVSYSPTIGTTT------

5gaoE

0.12

0.07

0.61

1.54

dPPAS2

--------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---------AAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK-----------------------------------------------------------------------------------------------------------------------------------------------

(a)	Iden1 is the number of template residues identical to query divided by number of aligned residues.
(b)	Iden2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment.
(e)	Download Align. list the threading program used to identify the template provide the 3D structure of aligned regions of threading templates.

Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=-1.50

Estimated TM-score = 0.53±0.15

Estimated RMSD = 11.1±4.6Å

Download Model 2

C-score=-3.21

Download Model 3

C-score=-2.05

Download Model 4

C-score=-2.75

Download Model 5

C-score=-2.21

Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)

Top 10 Identified stuctural analogs in PDB

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov
1	1dabA	0.857	2.40	0.150	0.910
2	3szeA	0.630	4.22	0.073	0.747
3	4om9A	0.628	4.20	0.071	0.744
4	3syjA	0.589	5.11	0.090	0.762
5	2vjjA	0.587	5.04	0.067	0.751
6	1wxrA	0.572	5.04	0.072	0.731
7	3h09B	0.571	5.24	0.072	0.747
8	4rm6A	0.567	5.26	0.049	0.740
9	4rmxA	0.558	5.00	0.085	0.701
10	4ru5A	0.557	5.35	0.076	0.710

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB 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 query protein.

Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)

Ligand binding sites

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.08	4	3potB	UUU	Rep, Mult	55,62
2	0.06	3	3h45O	PO4	Rep, Mult	13,16
3	0.06	3	2zy9A	MG	Rep, Mult	16,17,19
4	0.04	2	5irxA	6EU	Rep, Mult	3,63,65,66
5	0.02	1	2iq7E	UUU	Rep, Mult	75,90,91,92,93,107,118,119
6	0.02	1	2ef5B	LYS	Rep, Mult	8,9,13
7	0.02	1	3gq8A	CO3	Rep, Mult	46,47,87,91,93,121,123
8	0.02	1	2pygA	CA	Rep, Mult	41,42,46,48,90
9	0.02	1	3hykA	MG	Rep, Mult	45,91
10	0.02	1	1ibqA	ZN	Rep, Mult	297,475
11	0.02	1	2gl7D	III	Rep, Mult	21,41,54
12	0.02	1	3pvkA	BAM	Rep, Mult	297,299,300,338,473,475,542
13	0.02	1	1ia5A	MAN	Rep, Mult	2,22,23,40,48
14	0.02	1	1rmgA	MAN	Rep, Mult	106,108,109,116,117
15	0.02	1	4jcbT	BCL	Rep, Mult	11,15
16	0.02	1	3hw1C	EV2	Rep, Mult	297,338,400,475
17	0.02	1	1cq1B	CA	Rep, Mult	439,440
18	0.02	1	2xqtE	CVM	Rep, Mult	62,65

	Download the all possible binding ligands and detailed prediction summary.
	Download the templates clustering results.
(a)	C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)	Cluster size is the total number of templates in a cluster.
(c)	Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)	Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column. Mult is the complex structures with all potential binding ligands in the cluster.

Enzyme Commission (EC) numbers and active sites

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	EC Number	Active Site Residues
1	0.060	2pecA	0.365	4.35	0.072	0.441	4.2.2.2	42
2	0.060	1ia5A	0.430	3.66	0.089	0.502	3.2.1.15	NA
3	0.060	1gq8A	0.365	3.85	0.055	0.426	3.1.1.11	NA
4	0.060	1ogmX	0.432	4.41	0.036	0.532	3.2.1.11	NA
5	0.060	3k1dA	0.385	8.03	0.053	0.659	2.4.1.18	83
6	0.060	1vblA	0.373	4.27	0.078	0.446	4.2.2.2	NA
7	0.060	2z8gB	0.416	5.62	0.047	0.557	3.2.1.57	NA
8	0.060	1k5cA	0.421	3.69	0.084	0.489	3.2.1.15	NA
9	0.060	2vuaA	0.206	7.40	0.036	0.330	3.4.24.69	80
10	0.060	2vr5A	0.363	7.83	0.047	0.604	3.2.1.-	NA
11	0.060	1ogoX	0.432	4.44	0.042	0.532	3.2.1.11	NA
12	0.060	1ru4A	0.410	4.30	0.072	0.493	4.2.2.2	NA
13	0.060	2q1fA	0.365	7.58	0.068	0.590	4.2.2.21	NA
14	0.060	2vdcA	0.356	7.78	0.061	0.593	1.4.1.13	NA
15	0.060	1bheA	0.414	3.87	0.070	0.487	3.2.1.15	17,45
16	0.060	1rmgA	0.436	4.88	0.076	0.554	3.2.1.-	NA
17	0.060	2uveA	0.457	4.72	0.072	0.568	3.2.1.82	NA
18	0.060	1aklA	0.354	7.05	0.049	0.536	3.4.24.40	NA
19	0.060	1xg2A	0.362	3.72	0.045	0.421	3.1.1.11	NA

(a)	Cscore^EC is the confidence score for the EC number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(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 global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

Gene Ontology (GO) terms

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Homologous GO templates in PDB
0	0.20	0.857	2.40	0.15	0.91	1dabA	GO:0005576 GO:0007155 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0019867 GO:0042597
1	0.16	0.796	2.59	0.14	0.85	2iouG	GO:0007155 GO:0019867
2	0.07	0.630	4.22	0.07	0.75	3szeA	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
3	0.07	0.610	4.15	0.09	0.72	3ak5A	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
4	0.07	0.572	5.04	0.07	0.73	1wxrA	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
5	0.07	0.571	5.24	0.07	0.75	3h09B	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0042597
6	0.07	0.589	5.11	0.09	0.76	3syjA	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0009279 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597 GO:0042802
7	0.07	0.628	4.20	0.07	0.74	4om9A	GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
8	0.06	0.236	6.83	0.03	0.36	3h2zA	GO:0003824 GO:0008152 GO:0008926 GO:0016491 GO:0019594 GO:0050662 GO:0055114
9	0.06	0.206	7.55	0.04	0.33	4kkdB	GO:0001867 GO:0002376 GO:0004252 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0006898 GO:0006956 GO:0008233 GO:0008236 GO:0016787 GO:0042803 GO:0045087 GO:0045916 GO:0046872 GO:0048306
10	0.06	0.221	6.82	0.02	0.33	1gpzA	GO:0002376 GO:0004252 GO:0005509 GO:0005576 GO:0006508 GO:0006955 GO:0006956 GO:0006958 GO:0008233 GO:0008236 GO:0016787 GO:0045087 GO:0070062 GO:0072562
11	0.06	0.179	6.21	0.03	0.26	2b76B	GO:0000104 GO:0005829 GO:0006099 GO:0006113 GO:0008177 GO:0009055 GO:0009061 GO:0016020 GO:0016491 GO:0044780 GO:0045284 GO:0046872 GO:0051536 GO:0051537 GO:0051538 GO:0051539 GO:0055114 GO:0071973
12	0.06	0.194	5.91	0.06	0.27	1tiaA	GO:0006629 GO:0016042 GO:0016787
13	0.06	0.210	7.38	0.05	0.33	1zjkA	GO:0001855 GO:0001867 GO:0002376 GO:0004252 GO:0005509 GO:0005576 GO:0006508 GO:0006956 GO:0006958 GO:0008233 GO:0008236 GO:0016787 GO:0045087 GO:0046872 GO:0048306 GO:0070062
14	0.06	0.175	7.07	0.04	0.27	4f7kA	GO:0005507 GO:0016491 GO:0052716 GO:0055114
15	0.06	0.180	7.14	0.06	0.28	4fa4B	GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114
16	0.06	0.174	7.14	0.02	0.27	2qkdA	GO:0000226 GO:0001833 GO:0001834 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006397 GO:0007275 GO:0008270 GO:0008380 GO:0010628 GO:0015030 GO:0021510 GO:0030154 GO:0030424 GO:0030426 GO:0030576 GO:0030971 GO:0031369 GO:0031641 GO:0032797 GO:0033120 GO:0042023 GO:0042307 GO:0042995 GO:0043025 GO:0043204 GO:0045927 GO:0046872 GO:0048471 GO:0061564 GO:0071364 GO:0071931 GO:0097504 GO:1902742 GO:1990261 GO:2000672
17	0.06	0.150	6.52	0.02	0.22	3he3A	GO:0000166 GO:0008767
18	0.06	0.143	6.30	0.04	0.21	2xqyG

Consensus prediction of GO terms

Molecular Function	GO:0008236
GO-Score	0.38
Biological Processes	GO:0019538	GO:0009405	GO:0007155
GO-Score	0.38	0.35	0.32
Cellular Component	GO:0016021	GO:0042597	GO:0009279	GO:0009986	GO:0005576
GO-Score	0.35	0.35	0.35	0.35	0.35

(a)	Cscore^GO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(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 global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(f)	The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on Cscore^GO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Please cite the following articles when you use the I-TASSER server:
1.	J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2.	J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.	A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.	Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.