I-TASSER results

I-TASSER results for job id Rv2916c

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

Input Sequence in FASTA format

>protein (525 residues)
MFESLSDRLTAALQGLRGKGRLTDADIDATTREIRLALLEADVSLPVVRAFIHRIKERAR
GAEVSSALNPAQQVVKIVNEELISILGGETRELAFAKTPPTVVMLAGLQGSGKTTLAGKL
AARLRGQGHTPLLVACDLQRPAAVNQLQVVGERAGVPVFAPHPGASPESGPGDPVAVAAA
GLAEARAKHFDVVIVDTAGRLGIDEELMAQAAAIRDAINPDEVLFVLDAMIGQDAVTTAA
AFGEGVGFTGVALTKLDGDARGGAALSVREVTGVPILFASTGEKLEDFDVFHPDRMASRI
LGMGDVLSLIEQAEQVFDAQQAEEAAAKIGAGELTLEDFLEQMLAVRKMGPIGNLLGMLP
GAAQMKDALAEVDDKQLDRVQAIIRGMTPQERADPKIINASRRLRIANGSGVTVSEVNQL
VERFFEARKMMSSMLGGMGIPGIGRKSATRKSKGAKGKSGKKSKKGTRGPTPPKVKSPFG
VPGMPGLAGLPGGLPDLSQMPKGLDELPPGLADFDLSKLKFPGKK

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MFESLSDRLTAALQGLRGKGRLTDADIDATTREIRLALLEADVSLPVVRAFIHRIKERARGAEVSSALNPAQQVVKIVNEELISILGGETRELAFAKTPPTVVMLAGLQGSGKTTLAGKLAARLRGQGHTPLLVACDLQRPAAVNQLQVVGERAGVPVFAPHPGASPESGPGDPVAVAAAGLAEARAKHFDVVIVDTAGRLGIDEELMAQAAAIRDAINPDEVLFVLDAMIGQDAVTTAAAFGEGVGFTGVALTKLDGDARGGAALSVREVTGVPILFASTGEKLEDFDVFHPDRMASRILGMGDVLSLIEQAEQVFDAQQAEEAAAKIGAGELTLEDFLEQMLAVRKMGPIGNLLGMLPGAAQMKDALAEVDDKQLDRVQAIIRGMTPQERADPKIINASRRLRIANGSGVTVSEVNQLVERFFEARKMMSSMLGGMGIPGIGRKSATRKSKGAKGKSGKKSKKGTRGPTPPKVKSPFGVPGMPGLAGLPGGLPDLSQMPKGLDELPPGLADFDLSKLKFPGKK
Prediction	CCHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHHHHHHHHCCCEEEEEHCCCCHHHHHHHHHHHHHHCCEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCEEEEEEHCHHCHHHHHHHHHHHHHCCCCEEEEHCCCCCCCHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCHHHHHHHHHCCCHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHCCCCCCCCHHHHCCCHHHHHHHHHHHHHCCHHHHHCCCCCCHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCC
Conf.Score	856999999999999858888999999999999999999975765999999999999998777776799899999999999999989987777678999879999778788788899999999999899589998566788999999999998788688578888888778999999999999999989989999789987766999999999999869986999874454669999999996655998899857789986589999999989988997657887545678969999998788759999999999858999999999999899999999999999999789889999878844575566557788999999999979988987987587999999997779999999999999999999999998578888766666667777878888877776667787556556665456777656666666667655556657876557896558898889
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MFESLSDRLTAALQGLRGKGRLTDADIDATTREIRLALLEADVSLPVVRAFIHRIKERARGAEVSSALNPAQQVVKIVNEELISILGGETRELAFAKTPPTVVMLAGLQGSGKTTLAGKLAARLRGQGHTPLLVACDLQRPAAVNQLQVVGERAGVPVFAPHPGASPESGPGDPVAVAAAGLAEARAKHFDVVIVDTAGRLGIDEELMAQAAAIRDAINPDEVLFVLDAMIGQDAVTTAAAFGEGVGFTGVALTKLDGDARGGAALSVREVTGVPILFASTGEKLEDFDVFHPDRMASRILGMGDVLSLIEQAEQVFDAQQAEEAAAKIGAGELTLEDFLEQMLAVRKMGPIGNLLGMLPGAAQMKDALAEVDDKQLDRVQAIIRGMTPQERADPKIINASRRLRIANGSGVTVSEVNQLVERFFEARKMMSSMLGGMGIPGIGRKSATRKSKGAKGKSGKKSKKGTRGPTPPKVKSPFGVPGMPGLAGLPGGLPDLSQMPKGLDELPPGLADFDLSKLKFPGKK
Prediction	615503530340053037434033630440052025000401001500340063035303655136315334101300250015003574560415763000000000010110000000031026461200000000000000200331074160411234454445544520040024005302745000000000012433650151044026004030000000010012014005403751601000000000202000000002106000100020031510340306300300031210310043036425574155025204725010510350042036103054004202212404753453346304201000200055027426204520230004316242610340052054025004302744435423434444445434544445444454444344246443254144245235315414513531561142057141751626668
	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

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

Sec.Str
Seq

CCHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEEEEEHCCCCCCHHHHHHHHHHHHHHHCCCEEEEEHCCCCHHHHHHHHHHHHHHCCEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCEEEEEEHCHHCHHHHHHHHHHHHHCCCCEEEEHCCCCCCCHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCHHHHHHHHHCCCHHHHHHHHHHHHCCHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHCCCCCCCCHHHHCCCHHHHHHHHHHHHHCCHHHHHCCCCCCHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCC
MFESLSDRLTAALQGLRGKGRLTDADIDATTREIRLALLEADVSLPVVRAFIHRIKERARGAEVSSALNPAQQVVKIVNEELISILGGETRELAFAKTPPTVVMLAGLQGSGKTTLAGKLAARLRGQGHTPLLVACDLQRPAAVNQLQVVGERAGVPVFAPHPGASPESGPGDPVAVAAAGLAEARAKHFDVVIVDTAGRLGIDEELMAQAAAIRDAINPDEVLFVLDAMIGQDAVTTAAAFGEGVGFTGVALTKLDGDARGGAALSVREVTGVPILFASTGEKLEDFDVFHPDRMASRILGMGDVLSLIEQAEQVFDAQQAEEAAAKIGAGELTLEDFLEQMLAVRKMGPIGNLLGMLPGAAQMKDALAEVDDKQLDRVQAIIRGMTPQERADPKIINASRRLRIANGSGVTVSEVNQLVERFFEARKMMSSMLGGMGIPGIGRKSATRKSKGAKGKSGKKSKKGTRGPTPPKVKSPFGVPGMPGLAGLPGGLPDLSQMPKGLDELPPGLADFDLSKLKFPGKK

3dm5A

0.35

0.28

0.79

3.45

MUSTER

VLDNLGKALANTLKKIARASSVDEALIKELVRDIQRALIQADVNVRLVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGTEAKPIEIK-EKPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEK-------DAIKLAKEGVDYFKSKGVDIIIVDTAGRHKEDKALIEEMKQISNVIHPHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLLGLGDIQGLLEKFKELEKVEIKEEDIERFLRGKFTLKDMYAQLEAMRKMGPI------------------SIGEERLKKFKVIMDSMTEEELLNPEIINYSRIKRIARGSGTSTKDVKELLDQYRQMKKLFKSM-NKRQLS------------------------------------------------------------------------------------

3dm5A

0.35

0.28

0.79

6.70

dPPAS

VLDNLGKALANTLKKIARASSVDEALIKELVRDIQRALIQADVNVRLVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGTEAKPIEIK-EKPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEK-------DAIKLAKEGVDYFKSKGVDIIIVDTAGRHKEDKALIEEMKQISNVIHPHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLLGLGDIQGLLEKFKELEKVEIKEEDIERFLRGKFTLKDMYAQLEAMRKMGPI------------------SIGEERLKKFKVIMDSMTEEELLNPEIINYSRIKRIARGSGTSTKDVKELLDQYRQMKKLFKSMNKRQLS-------------------------------------------------------------------------------------

2j37W

0.31

0.28

0.90

5.56

wdPPAS

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAWTP--TKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTE-------MDPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNV----------SQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

2j37W

0.32

0.28

0.90

3.90

wMUSTER

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAWTP--TKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTE-------MDPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDSKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMS----------KNVSQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

2j37W

0.31

0.28

0.90

4.13

wPPAS

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAW--TPTKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTEM-------DPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNV----------SQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

3dm5A

0.35

0.28

0.79

6.90

dPPAS2

VLDNLGKALANTLKKIARASSVDEALIKELVRDIQRALIQADVNVRLVLQLTREIQRRALEEKPPAGISKKEHIIKIVYEELTKFLGTEAKPIEIK-EKPTILLMVGIQGSGKTTTVAKLARYFQKRGYKVGVVCSDTWRPGAYHQLRQLLDRYHIEVFGNPQEK-------DAIKLAKEGVDYFKSKGVDIIIVDTAGRHKEDKALIEEMKQISNVIHPHEVILVIDGTIGQQAYNQALAFKEATPIGSIIVTKLDGSAKGGGALSAVAATGAPIKFIGTGEKIDDIEPFDPPRFVSRLLGLGDIQGLLEKFKELEKVEIKEEDIERFLRGKFTLKDMYAQLEAMRKMGPI------------------SIGEERLKKFKVIMDSMTEEELLNPEIINYSRIKRIARGSGTSTKDVKELLDQYRQMKKLFKSMNKRQLS-------------------------------------------------------------------------------------

2j37W

0.31

0.28

0.90

4.31

PPAS

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAW--TPTKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTEM-------DPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNV----------SQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

2j37W

0.31

0.28

0.90

6.86

Env-PPAS

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAW--TPTKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTEM-------DPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNV----------SQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

2j37W

0.31

0.28

0.90

3.43

MUSTER

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAWTP--TKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTE-------MDPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDSKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNVSQSQMAKLN----------QQMAKMMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

2j37W

0.31

0.28

0.90

6.49

dPPAS

------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVKAWTP--TKGNVIMFVGLQGSGKTTTCSKLAYYYQRKGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTEM-------DPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVNE-LKLDDNEALIEKLKHGQFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFKGNEQESMARLKKLMTIMDSMNDQELDSTDGAQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNVSQSQMAKLNQQMAK----------MMDPRVLHHMGGMAGLQSMMRQFQ---------------------------

(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=0.14

Estimated TM-score = 0.73±0.11

Estimated RMSD = 7.1±4.2Å

Download Model 2

C-score=-1.15

Download Model 3

C-score=-3.02

Download Model 4

C-score=-3.74

Download Model 5

C-score=-3.56

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	2j37W	0.873	1.41	0.311	0.899
2	2j289	0.650	4.26	0.412	0.785
3	3dm5A	0.531	3.20	0.291	0.592
4	2v3cC	0.523	3.52	0.279	0.594
5	1qzwA	0.512	3.27	0.268	0.573
6	2iy3A	0.509	3.24	0.347	0.568
7	2og2A	0.485	3.24	0.323	0.547
8	2qy9A	0.477	3.49	0.347	0.545
9	4ak9A	0.474	3.22	0.293	0.533
10	3dmdB	0.472	3.89	0.332	0.552

(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	0.74	61	2j7pD	GNP	Rep, Mult	109,110,111,112,113,114,115,119,140,146,199,255,257,280,281,282,283
2	0.08	10	2cnwD	UUU	Rep, Mult	109,110,140
3	0.05	5	3synA	MG	Rep, Mult	114,137,196
4	0.02	2	2cnwD	5GP	Rep, Mult	139,198,199,207,210
5	0.02	3	3synB	III	Rep, Mult	138,139,140,141
6	0.02	2	3ndbB	PO4	Rep, Mult	108,110,111,112,113,114,140
7	0.02	4	3synA	III	Rep, Mult	114,122,150,153,154,283,284,285
8	0.02	2	1okkA	BZP	Rep, Mult	256,279,281,289,290,291,292,295
9	0.01	1	2cnwB	5GP	Rep, Mult	283,284
10	0.01	1	2j45A	NA	Rep, Mult	112,113,114,115,146
11	0.01	1	2xxaB	MG	Rep, Mult	114,140
12	0.01	1	2j37W	III	Rep, Mult	342,346,349,357,358,359,360,361,362,363,366,376,423,426,427,430,433,487,488,489
13	0.01	1	1ls1A	OXY	Rep, Mult	157,158
14	0.01	1	1qzwA	NUC	Rep, Mult	382,385,386,387,388,389,402,405,409,410,411
15	0.01	1	2j46B	MN	Rep, Mult	213,216
16	0.01	2	3e70C	GDP	Rep, Mult	159,160,161,180,184,187
17	0.01	1	2px0H	GNP	Rep, Mult	109,201
18	0.01	1	1okkA	BZP	Rep, Mult	96,99,100
19	0.01	1	2j289	III	Rep, Mult	313,317,339,342,356,370,372,373,377,379,380,383,416,417,419,420,421,422,423,424,427,431

	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	2r60A	0.349	6.83	0.062	0.531	2.4.1.14	295
2	0.060	2gblA	0.355	6.18	0.043	0.507	2.7.11.1	110,112
3	0.060	2zj7A	0.351	7.38	0.056	0.564	3.1.1.3	NA
4	0.060	1mhsA	0.362	6.61	0.051	0.541	3.6.3.6	NA
5	0.060	2vtfA	0.349	7.36	0.038	0.556	3.2.1.96	NA
6	0.060	1rs0A	0.339	6.98	0.065	0.522	3.4.21.47	NA
7	0.060	1rtkA	0.339	7.23	0.057	0.541	3.4.21.47	119,121
8	0.060	2qe7A	0.350	6.20	0.064	0.499	3.6.1.34	261
9	0.060	3ecqB	0.352	7.50	0.048	0.579	3.2.1.97	NA
10	0.060	2c4mC	0.360	7.19	0.046	0.571	2.4.1.1	NA
11	0.060	2j5wA	0.363	8.02	0.041	0.629	1.16.3.1	NA
12	0.060	3f2bA	0.352	7.89	0.050	0.610	2.7.7.7	NA
13	0.060	2hldK	0.358	6.24	0.076	0.514	3.6.3.14	NA
14	0.060	1ea0A	0.327	7.99	0.034	0.562	1.4.1.13	150
15	0.060	2r4uA	0.351	6.69	0.067	0.531	2.4.1.21	262
16	0.060	2tmdA	0.348	7.65	0.050	0.568	1.5.8.2	294
17	0.060	2fknB	0.369	6.35	0.070	0.529	4.2.1.49	NA
18	0.060	2jkpB	0.354	6.95	0.081	0.539	3.2.1.20	45,108,263
19	0.060	1fx0A	0.350	6.32	0.061	0.507	3.6.3.14	261

(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	0.49	0.509	3.24	0.35	0.57	2iy3A	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
1	0.47	0.640	2.99	0.47	0.71	5gadi	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
2	0.45	0.439	2.80	0.20	0.48	2px0A	GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005886 GO:0006614 GO:0006810 GO:0015031 GO:0016020 GO:0044781
3	0.40	0.516	2.87	0.28	0.57	3ndbB	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
4	0.36	0.462	2.72	0.49	0.50	5l3rC	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005786 GO:0006614 GO:0008312 GO:0009507 GO:0009536 GO:0009570 GO:0030529 GO:0048500 GO:0080085
5	0.35	0.472	3.89	0.33	0.55	3dmdB	GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006612 GO:0006614 GO:0016020 GO:0031226
6	0.34	0.465	3.20	0.33	0.52	2q9aA	GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006612 GO:0006614 GO:0016020 GO:0031226
7	0.31	0.514	3.15	0.36	0.57	2ffhA	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
8	0.31	0.507	2.79	0.33	0.55	1j8mF	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006614 GO:0008312 GO:0030529 GO:0048500
9	0.22	0.475	3.54	0.35	0.54	2yhsA	GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0005886 GO:0006612 GO:0006614 GO:0016020 GO:0031226
10	0.20	0.873	1.41	0.31	0.90	2j37W	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005634 GO:0005730 GO:0005737 GO:0005786 GO:0005829 GO:0006614 GO:0006616 GO:0006617 GO:0008144 GO:0008312 GO:0019003 GO:0030529 GO:0030942 GO:0042493 GO:0043021 GO:0044822 GO:0045047 GO:0048500
11	0.17	0.451	3.40	0.27	0.51	5l3qB	GO:0000166 GO:0003924 GO:0005047 GO:0005525 GO:0005783 GO:0005785 GO:0005789 GO:0006613 GO:0006614 GO:0006810 GO:0006886 GO:0016020 GO:0016021 GO:0036498 GO:0044822 GO:0070062
12	0.16	0.456	3.00	0.23	0.51	5l3wA	GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006612 GO:0006614 GO:0016020 GO:0031226
13	0.09	0.650	4.26	0.41	0.78	2j289	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
14	0.07	0.485	3.24	0.32	0.55	2og2A	GO:0000166 GO:0005525 GO:0006614 GO:0009507 GO:0009535 GO:0009536 GO:0009570 GO:0009579 GO:0016020 GO:0046872
15	0.07	0.531	3.20	0.29	0.59	3dm5A	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
16	0.07	0.512	3.27	0.27	0.57	1qzwA	GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005737 GO:0006612 GO:0006614 GO:0008312 GO:0030529 GO:0048500
17	0.07	0.474	3.22	0.29	0.53	4ak9A	GO:0005525 GO:0005622 GO:0006614
18	0.07	0.471	3.03	0.37	0.52	1vmaA	GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006612 GO:0006614 GO:0016020 GO:0031226 GO:0051301

Consensus prediction of GO terms

Molecular Function	GO:0005525	GO:0003924	GO:0008312
GO-Score	0.94	0.94	0.90
Biological Processes	GO:0006614	GO:0044781
GO-Score	0.94	0.45
Cellular Component	GO:0005829	GO:0005886	GO:0009570	GO:0005786	GO:0080085
GO-Score	0.47	0.45	0.36	0.36	0.36

(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.