I-TASSER results

I-TASSER results for job id Rv2733c

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

Input Sequence in FASTA format

>protein (512 residues)
MVAHDAAAGVTGEGAGPPVRRAPARTYQVRTYGCQMNVHDSERLAGLLEAAGYRRATDGS
EADVVVFNTCAVRENADNRLYGNLSHLAPRKRANPDMQIAVGGCLAQKDRDAVLRRAPWV
DVVFGTHNIGSLPTLLERARHNKVAQVEIAEALQQFPSSLPSSRESAYAAWVSISVGCNN
SCTFCIVPSLRGREVDRSPADILAEVRSLVNDGVLEVTLLGQNVNAYGVSFADPALPRNR
GAFAELLRACGDIDGLERVRFTSPHPAEFTDDVIEAMAQTRNVCPALHMPLQSGSDRILR
AMRRSYRAERYLGIIERVRAAIPHAAITTDLIVGFPGETEEDFAATLDVVRRARFAAAFT
FQYSKRPGTPAAQLDGQLPKAVVQERYERLIALQEQISLEANRALVGQAVEVLVATGEGR
KDTVTARMSGRARDGRLVHFTAGQPRVRPGDVITTKVTEAAPHHLIADAGVLTHRRTRAG
DAHTAGQPGRAVGLGMPGVGLPVSAAKPGGCR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVAHDAAAGVTGEGAGPPVRRAPARTYQVRTYGCQMNVHDSERLAGLLEAAGYRRATDGSEADVVVFNTCAVRENADNRLYGNLSHLAPRKRANPDMQIAVGGCLAQKDRDAVLRRAPWVDVVFGTHNIGSLPTLLERARHNKVAQVEIAEALQQFPSSLPSSRESAYAAWVSISVGCNNSCTFCIVPSLRGREVDRSPADILAEVRSLVNDGVLEVTLLGQNVNAYGVSFADPALPRNRGAFAELLRACGDIDGLERVRFTSPHPAEFTDDVIEAMAQTRNVCPALHMPLQSGSDRILRAMRRSYRAERYLGIIERVRAAIPHAAITTDLIVGFPGETEEDFAATLDVVRRARFAAAFTFQYSKRPGTPAAQLDGQLPKAVVQERYERLIALQEQISLEANRALVGQAVEVLVATGEGRKDTVTARMSGRARDGRLVHFTAGQPRVRPGDVITTKVTEAAPHHLIADAGVLTHRRTRAGDAHTAGQPGRAVGLGMPGVGLPVSAAKPGGCR
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCHHHHHHHHHHHHCCEHCCCCCCCCEEEEHCCCCCCCCCCCCCCCHHHCCCCCCCCCCCEEEHCCHHHHCCHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCEEEEEEEHCCCCCEEEEHCCCCCCCCCCCCHHHHHHHHHHHHHHCCEEEEHCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCEEEHCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHCCEEHCCCCCCHHHHHHHHHHHHHHHHHHCEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEHCCCCCCCHHHHHCCCCCCCCCEEEHCCCCCCCCCCEEEEEEEHCCCCCCEHCCCCCCCCCCCCCCCHHHHCCCCCCEEHCCCCCCCCCCCCCCCCCC
Conf.Score	98888888877788888777788747999975665666657889988888798558999998689985555444677644565554575445699976886443444568899875996589866666675689999999989999999999998655688654545456789997578865764445557877789867899999999987875888756544435777788888887789999999985788846765579998766589999998798777555788767858999999999999999989999998787544344468758999889999999999999876544666568999987668898999999999999999999975999999868568899875888776455555578899977866689989999869999995678753443577654455777665886889997465899889999999888999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVAHDAAAGVTGEGAGPPVRRAPARTYQVRTYGCQMNVHDSERLAGLLEAAGYRRATDGSEADVVVFNTCAVRENADNRLYGNLSHLAPRKRANPDMQIAVGGCLAQKDRDAVLRRAPWVDVVFGTHNIGSLPTLLERARHNKVAQVEIAEALQQFPSSLPSSRESAYAAWVSISVGCNNSCTFCIVPSLRGREVDRSPADILAEVRSLVNDGVLEVTLLGQNVNAYGVSFADPALPRNRGAFAELLRACGDIDGLERVRFTSPHPAEFTDDVIEAMAQTRNVCPALHMPLQSGSDRILRAMRRSYRAERYLGIIERVRAAIPHAAITTDLIVGFPGETEEDFAATLDVVRRARFAAAFTFQYSKRPGTPAAQLDGQLPKAVVQERYERLIALQEQISLEANRALVGQAVEVLVATGEGRKDTVTARMSGRARDGRLVHFTAGQPRVRPGDVITTKVTEAAPHHLIADAGVLTHRRTRAGDAHTAGQPGRAVGLGMPGVGLPVSAAKPGGCR
Prediction	63244344534454444445554323030101001020111420020034131340475430000000000013305230111001012335641501000000002332540163010000000011101000003203145401130250044014402442520100000000003110000000013245423423300220420054100100000120112013003363354230004003101715303202111221450033004001502410230100023213400420243134520010043024102300000000000114246204400410330211100101115324221151574024500451042024005402155135304330200002141344543441433045100000136765021010010302300010000414235232120123244444130000000221424444456618
	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

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

Sec.Str
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCHHHHHHHHHHHHCCEHCCCCCCCCEEEEHCCCCCCCCCCCCCCCHHHCCCCCCCCCCCEEEHCCHHHHCCHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCEEEEEEEHCCCCCEEEEHCCCCCCCCCCCCHHHHHHHHHHHHHHCCEEEEHCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCEEEHCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHCCEEHCCCCCCHHHHHHHHHHHHHHHHHHCEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEHCCCCCCCHHHHHCCCCCCCCCEEEHCCCCCCCCCCEEEEEEEHCCCCCCEHCCCCCCCCCCCCCCCHHHHCCCCCCEEHCCCCCCCCCCCCCCCCCC
MVAHDAAAGVTGEGAGPPVRRAPARTYQVRTYGCQMNVHDSERLAGLLEAAGYRRATDGSEADVVVFNTCAVRENADNRLYGNLSHLAPRKRANPDMQIAVGGCLAQKDRDAVLRRAPWVDVVFGTHNIGSLPTLLERARHNKVAQVEIAEALQQFPSSLPSSRESAYAAWVSISVGCNNSCTFCIVPSLRGREVDRSPADILAEVRSLVNDGVLEVTLLGQNVNAYGVSFADPALPRNRGAFAELLRACGDIDGLERVRFTSPHPAEFTDDVIEAMAQTRNVCPALHMPLQSGSDRILRAMRRSYRAERYLGIIERVRAAIPHAAITTDLIVGFPGETEEDFAATLDVVRRARFAAAFTFQYSKRPGTPAAQLDGQLPKAVVQERYERLIALQEQISLEANRALVGQAVEVLVATGEGRKDTVTARMSGRARDGRLVHFTAGQPRVRPGDVITTKVTEAAPHHLIADAGVLTHRRTRAGDAHTAGQPGRAVGLGMPGVGLPVSAAKPGGCR

4jc0A

0.31

0.26

0.83

2.52

MUSTER

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDL------YRKQALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKEGKFVGRTWTEAPEVDGVVFVRGKGK--IGDFLEVVIKEHDEYDMWGSV-ILEH--------------------------------------

4jc0A

0.31

0.26

0.83

7.02

dPPAS

-------------------------RVGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVEGKEG--KFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS-VILEH--------------------------------------

4jc0A

0.31

0.26

0.83

5.34

wdPPAS

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVEGKEG--KFLVGRTWTEAPEVDGVVFVRGKGKI--GDFLEVVIKEHDEYDMWGS--ILEH--------------------------------------

4jc0A

0.31

0.25

0.82

2.63

wMUSTER

-------------------------RVGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETD----------------LVPDRYRKREERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDL------YRKQALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKEGKFVGRTWTEAPEVDGVVFVRGKGK--IGDFLEVVIKEHDEYDMWGSV-ILEH--------------------------------------

4jc0A

0.31

0.26

0.82

3.16

wPPAS

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDL------YRKQALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKGKFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS--ILEH--------------------------------------

4jc0A

0.31

0.26

0.83

11.73

dPPAS2

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVEGKEG--KFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS-VILEH--------------------------------------

4jc0A

0.31

0.26

0.83

3.46

PPAS

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKGKFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS-VILEH--------------------------------------

4jc0A

0.31

0.26

0.83

10.10

Env-PPAS

------------------------R-VGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIEDAKRESIDEIFSFVDAKD-QYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGVADPEEIANAIETDLVPDRYRKRI-------------DLEERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKGKFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS-VILEH--------------------------------------

4jc0A2

0.33

0.19

0.58

1.72

MUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------EERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDL------YRKQALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVE---GKEGKFVGRTWTEAPEVDGVVFVRGKGK--IGDFLEVVIKEHDEYDMWGSV-ILEH--------------------------------------

4jc0A2

0.33

0.19

0.58

5.19

dPPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------EERPYAYVKISDGCDRGCTFCSIPSFKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQ------ALPDLLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGSDKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEELKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQAEISNSRLDRFVGKKLKFLVEGKEG--KFLVGRTWTEAPEVDGVVFVRGKG--KIGDFLEVVIKEHDEYDMWGS-VILEH--------------------------------------

(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=-0.92

Estimated TM-score = 0.60±0.14

Estimated RMSD = 9.5±4.6Å

Download Model 2

C-score=-1.13

Download Model 3

C-score=-2.32

Download Model 4

C-score=-1.58

Download Model 5

C-score=-2.07

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	4jc0A	0.816	1.03	0.302	0.828
2	5ul2A	0.607	4.74	0.076	0.758
3	2qgqA	0.509	1.14	0.312	0.519
4	1oltA	0.443	4.76	0.124	0.551
5	2x4bA	0.423	6.52	0.044	0.619
6	5gquA	0.419	6.79	0.033	0.635
7	2fhfA	0.417	6.45	0.044	0.615
8	2a3lA	0.415	6.38	0.061	0.604
9	2dijA	0.412	6.50	0.072	0.613
10	1qhoA	0.411	6.76	0.064	0.621

(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	0.06	2	1cgvA	MAL	Rep, Mult	69,70,83,101
2	0.06	2	3ke6A	MN	Rep, Mult	121,122,123,125
3	0.04	1	4jc0A	FS5	Rep, Mult	33,34,36,37,70,71,72,73,104,178,180,182,184,185,187,188,191,222,265
4	0.03	1	2vl1B	III	Rep, Mult	295,296
5	0.03	1	2hufA	1BO	Rep, Mult	39,227
6	0.03	1	3qf1A	PZE	Rep, Mult	191,194
7	0.03	1	3vmmA	MG	Rep, Mult	411,418
8	0.03	1	1kclA	GLC	Rep, Mult	88,91,95,96
9	0.03	1	2cxgA	GLC	Rep, Mult	73,74,75,78,106
10	0.03	1	1oltA	UUU	Rep, Mult	182,184,185,186,222,223,224,264,265,267,290,292,304,330,332,361,362,363,364
11	0.03	1	2a5hA	UUU	Rep, Mult	398,407
12	0.03	1	3ke6A	MN	Rep, Mult	121,271,330
13	0.03	1	1v3mA	GAL	Rep, Mult	70,71,72,77,124
14	0.03	1	1r3nF	BIB	Rep, Mult	304,419
15	0.03	1	4dwrA	SO4	Rep, Mult	255,263,265,297

	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	1ojnA	0.387	7.22	0.061	0.621	4.2.2.1	NA
2	0.060	1edqA	0.403	6.42	0.078	0.590	3.2.1.14	NA
3	0.060	3k1dA	0.386	6.32	0.036	0.555	2.4.1.18	NA
4	0.060	2fhcA	0.417	6.46	0.047	0.615	3.2.1.41	81,109,114
5	0.060	9cgtA	0.409	6.33	0.065	0.594	2.4.1.19	88
6	0.060	1bf2A	0.400	6.55	0.019	0.596	3.2.1.68	395
7	0.060	3c46B	0.394	7.47	0.046	0.639	2.7.7.6	NA
8	0.060	1b0pA	0.406	6.92	0.031	0.613	1.2.7.1	NA
9	0.060	1eh9A	0.393	6.12	0.031	0.560	3.2.1.141	121
10	0.060	3b9eA	0.395	6.31	0.084	0.574	3.2.1.14	NA
11	0.060	2e9bA	0.400	6.22	0.044	0.576	3.2.1.41	193
12	0.060	1d7fA	0.406	6.53	0.067	0.604	2.4.1.19	NA
13	0.060	1cdgA	0.412	6.41	0.064	0.607	2.4.1.19	NA
14	0.060	1ciuA	0.392	6.77	0.062	0.590	2.4.1.19	82,112
15	0.060	1tz7A	0.384	6.50	0.048	0.565	2.4.1.25	NA
16	0.060	2w5fB	0.387	6.33	0.029	0.562	3.2.1.8	175
17	0.060	1rw9A	0.384	7.26	0.075	0.619	4.2.2.5	37
18	0.060	2vncB	0.385	6.76	0.043	0.584	3.2.1.-	NA
19	0.060	1tiwA	0.344	5.85	0.036	0.480	1.5.1.12,1.5.99.8	177

(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	0.45	0.816	1.03	0.30	0.83	4jc0A	GO:0003824 GO:0005506 GO:0005737 GO:0005829 GO:0009451 GO:0016740 GO:0018339 GO:0035599 GO:0035600 GO:0043412 GO:0046872 GO:0051536 GO:0051539
1	0.06	0.443	4.76	0.12	0.55	1oltA	GO:0003824 GO:0004109 GO:0005737 GO:0006779 GO:0006782 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0051989 GO:0055114
2	0.06	0.405	6.34	0.02	0.58	3amlA	GO:0003824 GO:0003844 GO:0004553 GO:0005975 GO:0005978 GO:0005982 GO:0009501 GO:0009507 GO:0009536 GO:0016740 GO:0016757 GO:0019252 GO:0043169
3	0.06	0.346	6.84	0.05	0.54	3m07A	GO:0003824 GO:0004553 GO:0005737 GO:0005975 GO:0005992 GO:0008152 GO:0016787 GO:0016798 GO:0033942 GO:0046872
4	0.06	0.400	6.54	0.04	0.59	2vr5A	GO:0003824 GO:0004133 GO:0004177 GO:0004553 GO:0005975 GO:0005980 GO:0006508
5	0.06	0.401	6.33	0.05	0.58	3wdhA	GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051060
6	0.06	0.399	6.14	0.05	0.57	2e8yA	GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0051060
7	0.06	0.390	6.88	0.05	0.59	4okdA	GO:0003824 GO:0004553 GO:0005975
8	0.06	0.399	6.33	0.04	0.58	5cltA	GO:0003824 GO:0003844 GO:0004553 GO:0005829 GO:0005975 GO:0005977 GO:0005978 GO:0006091 GO:0016740 GO:0016757 GO:0043169 GO:0070062
9	0.06	0.393	6.14	0.03	0.56	2bhzA	GO:0003824 GO:0004553 GO:0005737 GO:0005975 GO:0005992 GO:0008152 GO:0016787 GO:0016798 GO:0033942
10	0.06	0.393	6.12	0.03	0.56	1eh9A	GO:0003824 GO:0004553 GO:0005737 GO:0005975 GO:0005992 GO:0008152 GO:0016787 GO:0016798 GO:0033942
11	0.06	0.400	6.55	0.02	0.60	1bf2A	GO:0003824 GO:0004553 GO:0005576 GO:0005975 GO:0005977 GO:0008152 GO:0016787 GO:0016798 GO:0019156 GO:0046872
12	0.06	0.385	6.39	0.04	0.56	5e70B	GO:0003824 GO:0003844 GO:0004553 GO:0005975 GO:0005977 GO:0005978 GO:0016740 GO:0016757 GO:0043169
13	0.06	0.413	6.35	0.05	0.61	4aioA	GO:0003824 GO:0004553 GO:0005975 GO:0046872 GO:0051060
14	0.06	0.389	6.57	0.04	0.58	2wskA	GO:0003824 GO:0004133 GO:0004135 GO:0004553 GO:0005975 GO:0005977 GO:0005980 GO:0006974 GO:0008152 GO:0016787 GO:0016798
15	0.06	0.376	6.36	0.05	0.54	5e70C	GO:0003824 GO:0003844 GO:0004553 GO:0005975 GO:0005977 GO:0005978 GO:0016740 GO:0016757 GO:0043169
16	0.06	0.372	6.49	0.04	0.55	4lxfA	GO:0003824 GO:0005975 GO:0046872
17	0.06	0.385	6.76	0.04	0.58	2vncB	GO:0003824 GO:0004133 GO:0004177 GO:0004553 GO:0005975 GO:0005980 GO:0006508
18	0.06	0.378	6.39	0.03	0.56	4lxfB	GO:0003824 GO:0005975 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0051539	GO:0035599	GO:0005506	GO:0016798
GO-Score	0.49	0.45	0.45	0.36
Biological Processes	GO:0035600	GO:0018339
GO-Score	0.45	0.45
Cellular Component	GO:0005829
GO-Score	0.45

(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.