I-TASSER results

Input Sequence in FASTA format

>protein (154 residues)
MPAGVGNASGSVLDMTSVRTVPSAVALVTFAGAALSGVIPAIARADPVGHQVTYTVTTTS
DLMANIRYMSADPPSMAAFNADSSKYMITLHTPIAGGQPLVYTATLANPSQWAIVTASGG
LRVNPEFHCEIVVDGQVVVSQDGGSGVQCSTRPW

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MPAGVGNASGSVLDMTSVRTVPSAVALVTFAGAALSGVIPAIARADPVGHQVTYTVTTTSDLMANIRYMSADPPSMAAFNADSSKYMITLHTPIAGGQPLVYTATLANPSQWAIVTASGGLRVNPEFHCEIVVDGQVVVSQDGGSGVQCSTRPW
Prediction	CCCCCCCCCCCEEEEEEEHCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCEEEEEEEHCCCEEEEEEEEHCCCCCHHHCCCCCCCCCCEEEEHCCCCCCEEEEEEHCCCCCEEEEEHCCCCCCCCCCEEEEEHCCEEEEHCCCCCCEEEHCCCC
Conf.Score	9987767788655455654445678999999988875567777889887578999985898899999986799976657888655677589986899867999995898867999986899889885689998869998767897566665789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MPAGVGNASGSVLDMTSVRTVPSAVALVTFAGAALSGVIPAIARADPVGHQVTYTVTTTSDLMANIRYMSADPPSMAAFNADSSKYMITLHTPIAGGQPLVYTATLANPSQWAIVTASGGLRVNPEFHCEIVVDGQVVVSQDGGSGVQCSTRPW
Prediction	6544345553331212323433311122222323333234443457443330301030544140302134342643641444234135535150446331324141542431020103334534241302020413112356444213134478
	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

                   |                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCCCCCCEEEEEEEHCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCEEEEEEEHCCCEEEEEEEEHCCCCCHHHCCCCCCCCCCEEEEHCCCCCCEEEEEEHCCCCCEEEEEHCCCCCCCCCCEEEEEHCCEEEEHCCCCCCEEEHCCCC
MPAGVGNASGSVLDMTSVRTVPSAVALVTFAGAALSGVIPAIARADPVGHQVTYTVTTTSDLMANIRYMSADPPSMAAFNADSSKYMITLHTPIAGGQPLVYTATLANPSQWAIVTASGGLRVNPEFHCEIVVDGQVVVSQDGGSGVQCSTRPW

2lw3A

0.19

0.10

0.56

1.24

wdPPAS

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN----------------EPQRVDGAVLPWSLHITTNDAAVMGNIVAQG---NSDSIGCRITVDGKVRAERNEVNATYCLVKSA

2lw3A

0.20

0.11

0.56

1.27

wPPAS

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN--------SEP------QRVDGAV--PWSLHITTNDAAVMGNIVAQGN---SDSIGCRITVDGKVRAERNEVNATYCLVKSA

2lw3A

0.18

0.10

0.56

1.42

dPPAS2

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN---------------SEPQRVDGAVLPWSLHITTNDAAVMGNIVAQGN---SDSIGCRITVDGKVRAERNEVNATYCLVKSA

2lw3A

0.20

0.11

0.56

1.07

PPAS

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN--------SEP------QRVDGAV--PWSLHITTNDAAVMGNIVAQGN---SDSIGCRITVDGKVRAERNEVNATYCLVKSA

2lw3A

0.20

0.11

0.56

1.15

Env-PPAS

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN--------SEP------QRVDGAV-LPWSLHITTNDAAVMGNIVAQG---NSDSIGCRITVDGKVRAERNEVNATYCLVKSA

3n6rA

0.15

0.12

0.84

0.69

MUSTER

YPEGF---EGVNLPETDLRRVAAAAAAMHRVAEIRRTRVSGRMDNHERRVGTEWVVTLQGA-DFPVTIAADH---------------DGSTVSFDDGSSMRVTSDWTPGDQLANLMVDGAP-----LVLKVGKIGGFRIRTRGADLKVHVRTPR

2lw3A

0.18

0.10

0.56

0.81

dPPAS

-------------------------------------------------MHLTYEIFGPPGTVADISYFDVN---------------SEPQRVDGAVLPWSLHITTNDAAVMGNIVAQGN---SDSIGCRITVDGKVRAERVSNAYTYCLVKSA

2g0kA

0.14

0.10

0.68

0.67

wdPPAS

TPSS-GLSDGTVVKVAGAGLQA-----TAYDVGQCAWVDTGVLACNPA--FSSVTADANGSASTSLTVRR------------------------------SFEGFLFDGTRWGTVDCTTAA-------CQVGLSDA---AGNGPEGVAISFN--

2lw3A

0.19

0.10

0.55

0.97

wMUSTER

--------------------------------------------------HLTYEIFGPPGTVADISYFDVN---------------SEPQRVDGAVLPWSLHITTNDAAVMGNIVAQGN---SDSIGCRITVDGKVRAERNEVNATYCLVKS-

2g0kA

0.18

0.12

0.65

wPPAS

TPSS-GLSDGTVVKVAGA-------------------LQAG----------TAYDVGQCAWVDTG--VLACNPADFSSVTADAN----SASTSL------SFEGFLFDGTRWGTVDCTTAA-------CQVGLSD---AAGNGPEGVAISFN--

(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=-3.01

Estimated TM-score = 0.37±0.13

Estimated RMSD = 11.7±4.5Å

Download Model 2

C-score=-3.28

Download Model 3

C-score=-3.80

Download Model 4

C-score=-4.41

Download Model 5

C-score=-4.70

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	2lw3A	0.502	1.88	0.172	0.565
2	3t2bA	0.483	4.57	0.038	0.760
3	1kfuL	0.478	5.13	0.040	0.825
4	1wmfA	0.476	4.73	0.078	0.773
5	1olpA	0.467	4.54	0.057	0.753
6	1qxpB	0.467	4.97	0.054	0.786
7	3eg9A	0.466	4.42	0.078	0.727
8	1pcxA3	0.465	3.72	0.047	0.669
9	1gygA	0.464	4.68	0.092	0.740
10	2nyzA	0.459	4.44	0.045	0.708

(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	0.09	4	2az5D	307	Rep, Mult	51,53,54,101,102,103,130
2	0.07	3	4afbA	GOL	Rep, Mult	51,53,132,133,134
3	0.05	2	4wpaA	CA	Rep, Mult	55,56,100,130
4	0.02	1	3d48R	CO3	Rep, Mult	67,68,69,114,116
5	0.02	1	3cg8A	CU	Rep, Mult	80,128
6	0.02	1	3sh1A	MG	Rep, Mult	46,50
7	0.02	1	2hrgA	CA	Rep, Mult	9,55
8	0.02	1	2vjlA	COA	Rep, Mult	97,98
9	0.02	1	2ly0A	A2Y	Rep, Mult	21,24
10	0.02	1	1q90D	BCR	Rep, Mult	25,29
11	0.02	1	1i6tA	CA	Rep, Mult	80,81
12	0.02	1	3uilB	DAO	Rep, Mult	34,35
13	0.02	1	3thpA	MN	Rep, Mult	80,82,128
14	0.02	1	2pe7A	PDC	Rep, Mult	44,47
15	0.02	1	1q16B	AGA	Rep, Mult	118,152

	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	1hr6D	0.445	4.79	0.035	0.747	3.4.24.64	NA
2	0.060	1o4yA	0.439	4.95	0.059	0.786	3.2.1.81	82
3	0.060	2cseA	0.436	4.61	0.054	0.714	2.7.7.50	NA
4	0.060	1qxpB	0.467	4.97	0.054	0.786	3.4.22.53,3.4.22.52	NA
5	0.060	1ca1A	0.477	4.77	0.051	0.792	3.1.4.3	NA
6	0.060	3dgtA	0.437	4.84	0.067	0.779	3.2.1.39	NA
7	0.060	2nlrA	0.429	5.19	0.070	0.766	3.2.1.4	97
8	0.060	1be3A	0.435	5.11	0.083	0.766	1.10.2.2	NA
9	0.060	1xc6A	0.435	4.57	0.027	0.688	3.2.1.23	49,54,141
10	0.060	1pnfA	0.448	4.41	0.041	0.701	3.5.1.52	14
11	0.060	3b7mA	0.418	5.48	0.046	0.792	3.2.1.4	NA
12	0.060	3cf4A	0.432	5.17	0.064	0.753	1.2.99.2	141
13	0.060	3cxhL	0.448	5.12	0.075	0.779	1.10.2.2	NA
14	0.060	1khoA	0.470	4.61	0.099	0.747	3.1.4.3	46
15	0.060	2bw8A	0.432	5.26	0.038	0.786	3.2.1.4	57,122
16	0.060	1uw8A	0.382	4.78	0.028	0.649	4.1.1.2	NA
17	0.060	1mdwA	0.296	5.59	0.030	0.578	3.4.22.53	124
18	0.060	1kfxL	0.478	4.76	0.054	0.779	3.4.22.53	128
19	0.060	1wmdA	0.475	4.73	0.078	0.773	3.4.21.-	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	0.19	0.502	1.88	0.17	0.56	2lw3A	GO:0005886 GO:0009405 GO:0016020 GO:0016021
1	0.10	0.313	5.94	0.03	0.62	3o78A	GO:0000086 GO:0000165 GO:0000922 GO:0001975 GO:0002027 GO:0002576 GO:0005088 GO:0005509 GO:0005513 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0005886 GO:0005980 GO:0006091 GO:0006936 GO:0007186 GO:0007190 GO:0007223 GO:0008076 GO:0008179 GO:0008218 GO:0008440 GO:0010800 GO:0010801 GO:0010880 GO:0010881 GO:0015276 GO:0018298 GO:0019722 GO:0019901 GO:0019904 GO:0021762 GO:0022400 GO:0030017 GO:0030234 GO:0030235 GO:0030426 GO:0030801 GO:0031432 GO:0031800 GO:0031954 GO:0031982 GO:0031996 GO:0031997 GO:0032465 GO:0032516 GO:0034220 GO:0034704 GO:0035307 GO:0038095 GO:0043005 GO:0043274 GO:0043388 GO:0043539 GO:0043547 GO:0043548 GO:0043647 GO:0044325 GO:0046872 GO:0047485 GO:0048306 GO:0050998 GO:0050999 GO:0051000 GO:0051343 GO:0051412 GO:0051592 GO:0055117 GO:0060314 GO:0060315 GO:0060316 GO:0070062 GO:0071902 GO:0072542 GO:1901841 GO:1901844
2	0.06	0.416	3.95	0.05	0.62	2qfeA	GO:0004175 GO:0004198 GO:0005622 GO:0005634 GO:0005654 GO:0005737 GO:0006508 GO:0008233 GO:0008234 GO:0010634 GO:0016787 GO:0070062 GO:0090541 GO:0097264
3	0.06	0.467	4.97	0.05	0.79	1qxpB	GO:0004198 GO:0005509 GO:0005622 GO:0005737 GO:0005886 GO:0006508 GO:0008092 GO:0008233 GO:0008234 GO:0016020 GO:0016540 GO:0016787 GO:0046872
4	0.06	0.478	4.76	0.05	0.78	1kfxL	GO:0000785 GO:0001666 GO:0001824 GO:0004198 GO:0005509 GO:0005622 GO:0005634 GO:0005737 GO:0005764 GO:0005783 GO:0005794 GO:0005829 GO:0005886 GO:0005925 GO:0006508 GO:0007520 GO:0008092 GO:0008233 GO:0008234 GO:0016020 GO:0016540 GO:0016787 GO:0022617 GO:0030425 GO:0030864 GO:0031143 GO:0045121 GO:0046872 GO:0046982 GO:0051493 GO:0051603 GO:0070062 GO:0071230 GO:0097038
5	0.06	0.356	4.74	0.06	0.59	3kpxA
6	0.06	0.310	5.77	0.07	0.64	4wbxC	GO:0003824 GO:0008152 GO:0016491 GO:0055114
7	0.06	0.353	5.16	0.06	0.64	2isnA
8	0.06	0.311	5.46	0.03	0.57	1ij5A	GO:0005509 GO:0046872
9	0.06	0.316	5.20	0.04	0.57	4i2yA	GO:0000086 GO:0000922 GO:0001975 GO:0002027 GO:0005246 GO:0005509 GO:0005513 GO:0005634 GO:0005737 GO:0005813 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0005886 GO:0006091 GO:0007190 GO:0008076 GO:0008179 GO:0008218 GO:0010880 GO:0018298 GO:0019722 GO:0019901 GO:0019904 GO:0021762 GO:0030017 GO:0030234 GO:0030235 GO:0030426 GO:0030801 GO:0031432 GO:0031800 GO:0031982 GO:0031996 GO:0031997 GO:0032465 GO:0032516 GO:0034704 GO:0035307 GO:0043005 GO:0043274 GO:0043388 GO:0043548 GO:0044325 GO:0046872 GO:0047485 GO:0048306 GO:0050998 GO:0051000 GO:0051343 GO:0051412 GO:0051592 GO:0055117 GO:0060314 GO:0060316 GO:0070062 GO:0072542 GO:1901339 GO:1901841
10	0.06	0.335	5.61	0.08	0.68	1a0gB	GO:0003824 GO:0008152 GO:0008483 GO:0016740 GO:0019478 GO:0030170 GO:0046416 GO:0046437 GO:0047810
11	0.06	0.285	5.56	0.07	0.55	2aryA	GO:0004198 GO:0005509 GO:0005622 GO:0005737 GO:0005739 GO:0005764 GO:0005829 GO:0005886 GO:0005925 GO:0006508 GO:0008092 GO:0008233 GO:0008234 GO:0008284 GO:0016020 GO:0016241 GO:0016540 GO:0016787 GO:0022617 GO:0032801 GO:0046872 GO:0060056 GO:0070062
12	0.06	0.288	5.09	0.06	0.49	2nqaB
13	0.06	0.279	5.78	0.02	0.55	2p0rA	GO:0004198 GO:0005509 GO:0005622 GO:0005737 GO:0006508 GO:0007586 GO:0008233 GO:0008234 GO:0016787 GO:0046872
14	0.06	0.321	5.44	0.09	0.62	3u0kA	GO:0005509 GO:0006091 GO:0008218 GO:0046872
15	0.06	0.302	5.11	0.03	0.55	3mvnA	GO:0000166 GO:0005524 GO:0007049 GO:0008360 GO:0009058 GO:0009252 GO:0009254 GO:0016020 GO:0016021 GO:0016874 GO:0016881 GO:0051301 GO:0071555
16	0.06	0.475	4.61	0.06	0.75	3t2dA	GO:0046872
17	0.06	0.267	5.35	0.04	0.49	1kfuS	GO:0004198 GO:0005509 GO:0005737 GO:0005829 GO:0005886 GO:0006508 GO:0008284 GO:0016020 GO:0016241 GO:0022617 GO:0046872 GO:0070062
18	0.06	0.312	4.94	0.07	0.54	1fj2A	GO:0002084 GO:0004622 GO:0005737 GO:0005739 GO:0005829 GO:0006629 GO:0006631 GO:0008474 GO:0016298 GO:0016787 GO:0042997 GO:0050999 GO:0070062

Consensus prediction of GO terms

Molecular Function	GO:0046872	GO:0004197
GO-Score	0.42	0.36
Biological Processes	GO:0051704	GO:0019538
GO-Score	0.39	0.36
Cellular Component	GO:0031988	GO:1903561	GO:0005886	GO:0031981	GO:0044444	GO:0031224
GO-Score	0.42	0.42	0.36	0.31	0.31	0.31

(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.

I-TASSER results for job id Rv2576c

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

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