I-TASSER results

Input Sequence in FASTA format

>protein (144 residues)
MPVALIWLIAALVLVGAEALTGDMFLLMLGGGALAASVSSWLLAWPMWADGAVFLLVSVL
LLVLVRPAVRRRLTQTKGVQLGIEALEGKKAVVLGRVARDGGQVKLDGQVWTARPLNDGD
VFEPGDSVTVVQIDGATAVVFKDV

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MPVALIWLIAALVLVGAEALTGDMFLLMLGGGALAASVSSWLLAWPMWADGAVFLLVSVLLLVLVRPAVRRRLTQTKGVQLGIEALEGKKAVVLGRVARDGGQVKLDGQVWTARPLNDGDVFEPGDSVTVVQIDGATAVVFKDV
Prediction	CCHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHCCEEEEEEEEHCCCCEEEEHCCEEEEEEHCCCCCCCCCCEEEEEEEEHCCEEEEEHCC
Conf.Score	989999999999999999998568899999999999999997588678999999999999999999999997657888788845548889999999769958999989899999889998889988999999979699998589
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MPVALIWLIAALVLVGAEALTGDMFLLMLGGGALAASVSSWLLAWPMWADGAVFLLVSVLLLVLVRPAVRRRLTQTKGVQLGIEALEGKKAVVLGRVARDGGQVKLDGQVWTARPLNDGDVFEPGDSVTVVQIDGATAVVFKDV
Prediction	453333222313311321333333333333321321131123244433211221333232333333320233255566453434312434030234157740302043540303045776405543403023154020203578
	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

CCHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHCCEEEEEEEEHCCCCEEEEHCCEEEEEEHCCCCCCCCCCEEEEEEEEHCCEEEEEHCC
MPVALIWLIAALVLVGAEALTGDMFLLMLGGGALAASVSSWLLAWPMWADGAVFLLVSVLLLVLVRPAVRRRLTQTKGVQLGIEALEGKKAVVLGRVARDGGQVKLDGQVWTARPLNDGDVFEPGDSVTVVQIDGATAVVFKDV

3wwvA

0.30

0.13

0.44

1.55

MUSTER

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEEL-NPEGMIKVRGELWKARS-KFNGKIEKGEKVRVVDMDGLTLIVVRER

3wwvA

0.30

0.13

0.44

1.42

dPPAS

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEELNP-EGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3cp0A

0.42

0.18

0.43

2.82

wdPPAS

---------------------------------------------------------------------------------SPRALVGHRAEVLEDVGATSGQVRLDGSIWSARS-DPTHTFAEGEIVSVIDIQGTTAIVWKEA

3wwvA

0.31

0.13

0.43

2.18

wMUSTER

--------------------------------------------------------------------------------TGKEEMIGLIGTVVEEL-NPEGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3wwvA

0.30

0.13

0.44

2.96

wPPAS

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEEL-NPEGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3wwvA

0.30

0.13

0.44

3.70

dPPAS2

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEELNP-EGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3wwvA

0.30

0.13

0.44

2.54

PPAS

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEEL-NPEGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3wwvA

0.30

0.13

0.44

1.61

Env-PPAS

-------------------------------------------------------------------------------RTGKEEMIGLIGTVVEEL-NPEGMIKVRGELWKARSKF-NGKIEKGEKVRVVDMDGLTLIVVRER

3cp0A

0.42

0.18

0.43

1.43

MUSTER

---------------------------------------------------------------------------------SPRALVGHRAEVLEDVGATSGQVRLDGSIWSARS-DPTHTFAEGEIVSVIDIQGTTAIVWKEA

3cp0A

0.42

0.18

0.43

1.37

dPPAS

---------------------------------------------------------------------------------SPRALVGHRAEVLEDVGATSGQVRLDGSIWSARS-DPTHTFAEGEIVSVIDIQGTTAIVWKEA

(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=-2.93

Estimated TM-score = 0.38±0.13

Estimated RMSD = 11.3±4.5Å

Download Model 2

C-score=-3.23

Download Model 3

C-score=-3.25

Download Model 4

C-score=-3.03

Download Model 5

C-score=-4.00

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	0.487	4.37	0.072	0.729
2	1o0wB	0.458	4.45	0.071	0.715
3	3hd6A	0.458	4.41	0.130	0.729
4	3b9zA	0.456	4.54	0.074	0.736
5	2oa6D	0.454	4.29	0.064	0.688
6	4m5dA2	0.453	4.90	0.056	0.799
7	2wp8J	0.452	4.99	0.117	0.771
8	1miuA	0.452	4.75	0.076	0.799
9	4v00A	0.450	4.89	0.023	0.785
10	2qgqA	0.449	3.92	0.081	0.646

(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	4nvyL	III	Rep, Mult	90,92,105,106,108,125,127
2	0.06	3	2o011	CLA	Rep, Mult	125,126
3	0.06	3	2rlfB	RIM	Rep, Mult	14,18
4	0.04	2	4pd6A	DMU	Rep, Mult	5,52
5	0.02	1	1icrA	NIO	Rep, Mult	87,88
6	0.02	1	3dtuC	DXC	Rep, Mult	13,16,17,21,26,29
7	0.02	1	1ekjF	ACT	Rep, Mult	16,20
8	0.02	1	3dtuC	DMU	Rep, Mult	29,32,33,37
9	0.02	1	3h2wA	CO	Rep, Mult	113,118
10	0.02	1	3fyeC	UNX	Rep, Mult	34,37,137
11	0.02	1	4o6nB	MPG	Rep, Mult	5,57,61
12	0.02	1	1iw7F	MG	Rep, Mult	12,63
13	0.02	1	1eah4	MYR	Rep, Mult	135,138
14	0.02	1	3cp0A	ZN	Rep, Mult	89,107
15	0.02	1	2wieB	CVM	Rep, Mult	12,13
16	0.02	1	3fyeA	DMU	Rep, Mult	53,54,58,59,62

	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	3mosA	0.430	4.91	0.076	0.722	2.2.1.1	NA
2	0.060	2p4eA	0.425	5.45	0.075	0.792	3.4.21.-	NA
3	0.060	1q16A	0.350	5.37	0.038	0.646	1.7.99.4	NA
4	0.060	2d1eA	0.434	4.98	0.075	0.757	1.3.7.5	NA
5	0.060	3bjcA	0.418	4.59	0.023	0.667	3.1.4.35	NA
6	0.060	1tlbA	0.431	4.79	0.084	0.722	1.3.3.3	70
7	0.060	2etfB	0.415	4.93	0.041	0.743	3.4.24.69	NA
8	0.060	3dwsB	0.429	4.85	0.059	0.722	1.3.3.3	31,82
9	0.060	2oa6D	0.454	4.29	0.064	0.688	4.2.3.9	NA
10	0.060	1m56A	0.438	4.96	0.052	0.743	1.9.3.1	NA
11	0.060	2id0C	0.410	4.15	0.031	0.632	3.1.13.1	20,39
12	0.060	3dysB	0.427	4.60	0.016	0.674	3.1.4.35	NA
13	0.060	1xagA	0.417	4.86	0.048	0.722	4.2.3.4	NA
14	0.060	1qleA	0.392	4.93	0.043	0.667	1.9.3.1	NA
15	0.060	1xahA	0.407	4.96	0.054	0.688	4.2.3.4	NA
16	0.060	2r8qA	0.432	4.49	0.061	0.660	3.1.4.17	134
17	0.060	3bpsA	0.409	5.75	0.078	0.819	3.4.21.-	NA
18	0.060	2fhcA	0.417	5.02	0.077	0.736	3.2.1.41	86
19	0.060	1wopA	0.430	4.90	0.068	0.743	2.1.2.10	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	0.07	0.487	4.37	0.07	0.73	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	0.391	4.29	0.06	0.59	2a11A	GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005737 GO:0006364 GO:0006396 GO:0006397 GO:0008033 GO:0016075 GO:0016787 GO:0040007 GO:0046872 GO:0090502
2	0.06	0.405	4.46	0.09	0.62	1yykA	GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005737 GO:0006364 GO:0006396 GO:0006397 GO:0008033 GO:0016075 GO:0016787 GO:0046872 GO:0090502
3	0.06	0.393	4.24	0.05	0.58	4oogC	GO:0000294 GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005654 GO:0005730 GO:0006325 GO:0006364 GO:0006396 GO:0009303 GO:0016787 GO:0030422 GO:0030847 GO:0031053 GO:0031054 GO:0034473 GO:0034475 GO:0034476 GO:0034963 GO:0034964 GO:0060237 GO:0090305 GO:0090501 GO:0090502
4	0.06	0.444	4.62	0.07	0.69	5b16A	GO:0001530 GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004521 GO:0004525 GO:0005634 GO:0005654 GO:0005730 GO:0006396 GO:0010468 GO:0010586 GO:0010628 GO:0016075 GO:0016787 GO:0030422 GO:0031047 GO:0031053 GO:0031054 GO:0042254 GO:0042803 GO:0044822 GO:0046872 GO:0050829 GO:0050830 GO:0070877 GO:0070878 GO:0090305 GO:0090501 GO:0090502 GO:2000628
5	0.06	0.350	4.86	0.04	0.60	3a58A	GO:0000131 GO:0000145 GO:0001927 GO:0005546 GO:0005886 GO:0005934 GO:0005935 GO:0006810 GO:0006887 GO:0006893 GO:0015031 GO:0017049 GO:0043332 GO:0048309 GO:0051601 GO:0090522
6	0.06	0.425	4.75	0.09	0.72	2fflA	GO:0000166 GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005634 GO:0006396 GO:0016787 GO:0030422 GO:0031047 GO:0031053 GO:0031054 GO:0046872 GO:0090502
7	0.06	0.379	3.67	0.08	0.52	4ounA	GO:0003723 GO:0004518 GO:0004519 GO:0004525 GO:0004540 GO:0005737 GO:0006364 GO:0006396 GO:0016787 GO:0019843 GO:0042254 GO:0090305 GO:0090501 GO:0090502
8	0.06	0.356	5.87	0.09	0.73	2ofpB	GO:0005737 GO:0008677 GO:0015940 GO:0016491 GO:0033317 GO:0050661 GO:0055114
9	0.06	0.282	4.78	0.04	0.47	3j6b5	GO:0003723 GO:0003725 GO:0003735 GO:0004525 GO:0005634 GO:0005739 GO:0005762 GO:0005840 GO:0006396 GO:0030422 GO:0030529 GO:0031053 GO:0031054 GO:0032543 GO:0090502
10	0.06	0.322	5.08	0.05	0.59	3shxA	GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0016491 GO:0046872 GO:0055114
11	0.06	0.375	5.49	0.05	0.72	2a5hB	GO:0003824 GO:0016853 GO:0019475 GO:0046872 GO:0050066 GO:0051536 GO:0051539
12	0.06	0.393	4.18	0.08	0.58	1jfzB	GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005737 GO:0006364 GO:0006396 GO:0006397 GO:0008033 GO:0016075 GO:0016787 GO:0046872 GO:0090502
13	0.06	0.458	4.45	0.07	0.72	1o0wB	GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004525 GO:0005737 GO:0006364 GO:0006396 GO:0006397 GO:0008033 GO:0016075 GO:0016787 GO:0019843 GO:0046872 GO:0090502
14	0.06	0.304	5.70	0.03	0.60	1oltA	GO:0003824 GO:0004109 GO:0005737 GO:0006779 GO:0006782 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0051989 GO:0055114
15	0.06	0.349	5.13	0.05	0.60	3c4bA	GO:0000122 GO:0000166 GO:0000212 GO:0001525 GO:0001932 GO:0001942 GO:0003677 GO:0003723 GO:0003725 GO:0004386 GO:0004518 GO:0004519 GO:0004521 GO:0004525 GO:0004530 GO:0005524 GO:0005634 GO:0005737 GO:0006309 GO:0006396 GO:0008283 GO:0008593 GO:0009791 GO:0010070 GO:0010468 GO:0010626 GO:0010628 GO:0010660 GO:0014040 GO:0014835 GO:0016075 GO:0016246 GO:0016442 GO:0016787 GO:0016891 GO:0019827 GO:0019904 GO:0021522 GO:0021675 GO:0021889 GO:0021987 GO:0030324 GO:0030326 GO:0030422 GO:0030423 GO:0031047 GO:0031054 GO:0031069 GO:0031641 GO:0031643 GO:0032290 GO:0033168 GO:0034507 GO:0035068 GO:0035087 GO:0035116 GO:0035196 GO:0035197 GO:0035198 GO:0035264 GO:0035280 GO:0036404 GO:0042487 GO:0045069 GO:0045589 GO:0045595 GO:0045664 GO:0045944 GO:0046872 GO:0048255 GO:0048536 GO:0048565 GO:0048608 GO:0048713 GO:0048730 GO:0048754 GO:0048812 GO:0048856 GO:0050727 GO:0050767 GO:0051216 GO:0051225 GO:0051252 GO:0051607 GO:0051726 GO:0055013 GO:0060119 GO:0060253 GO:0060576 GO:0061309 GO:0061548 GO:0070173 GO:0070578 GO:0070883 GO:0071335 GO:0090502 GO:1990141 GO:2000628 GO:2000630 GO:2000736
16	0.06	0.268	4.90	0.06	0.44	1ln1A	GO:0005737 GO:0005829 GO:0006810 GO:0006869 GO:0008289 GO:0008525 GO:0015914 GO:0031210
17	0.06	0.319	2.74	0.08	0.40	5a5bJ	GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006289 GO:0006338 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0019904 GO:0030163 GO:0030433 GO:0031595 GO:0032968 GO:0034515 GO:0036402 GO:0043161 GO:0043433 GO:0045899 GO:0051091 GO:0070651 GO:0070682 GO:1901800
18	0.06	0.265	5.37	0.02	0.53	4w5wA	GO:0000166 GO:0005524 GO:0005618 GO:0005634 GO:0009409 GO:0009416 GO:0009507 GO:0009535 GO:0009536 GO:0009570 GO:0009579 GO:0009753 GO:0009941 GO:0010150 GO:0010287 GO:0010319 GO:0016020 GO:0030234 GO:0042742 GO:0043085 GO:0043531 GO:0046863 GO:0048046 GO:0050790

Consensus prediction of GO terms

Molecular Function	GO:0043169	GO:0016891	GO:0003676	GO:0032296
GO-Score	0.47	0.47	0.47	0.47
Biological Processes	GO:0090501	GO:0034470	GO:0034661	GO:0042254	GO:0016072
GO-Score	0.47	0.36	0.36	0.36	0.36
Cellular Component	GO:0044424
GO-Score	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.

I-TASSER results for job id Rv1487

[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]