I-TASSER results

Input Sequence in FASTA format

>protein (131 residues)
MFANIGWWEMLVLVMVGLVVLGPERLPGAIRWAASALRQARDYLSGVTSQLREDIGPEFD
DLRGHLGELQKLRGMTPRAALTKHLLDGDDSLFTGDFDRPTPKKPDAAGSAGPDATEQIG
AGPIPFDSDAT

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MFANIGWWEMLVLVMVGLVVLGPERLPGAIRWAASALRQARDYLSGVTSQLREDIGPEFDDLRGHLGELQKLRGMTPRAALTKHLLDGDDSLFTGDFDRPTPKKPDAAGSAGPDATEQIGAGPIPFDSDAT
Prediction	CCCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	99998889999999999988577566899999999999999999999999999998999999999999999876895666768887656666646667787778877788888877778889999998999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MFANIGWWEMLVLVMVGLVVLGPERLPGAIRWAASALRQARDYLSGVTSQLREDIGPEFDDLRGHLGELQKLRGMTPRAALTKHLLDGDDSLFTGDFDRPTPKKPDAAGSAGPDATEQIGAGPIPFDSDAT
Prediction	63673433213313332221021640150033104104301520550353047415542641464365265257254654346534555554465647545655565565565645665785444446738
	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

                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MFANIGWWEMLVLVMVGLVVLGPERLPGAIRWAASALRQARDYLSGVTSQLREDIGPEFDDLRGHLGELQKLRGMTPRAALTKHLLDGDDSLFTGDFDRPTPKKPDAAGSAGPDATEQIGAGPIPFDSDAT

2mi2A

0.27

0.21

0.79

2.10

MUSTER

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2mi2A

0.27

0.21

0.79

1.92

dPPAS

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKLQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH--------------------------

2mi2A

0.27

0.21

0.79

3.33

wdPPAS

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2mi2A

0.26

0.21

0.78

2.40

wMUSTER

-F-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2mi2A

0.24

0.19

0.79

3.89

wPPAS

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELK--LQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH------------------------

2mi2A

0.27

0.21

0.79

5.27

dPPAS2

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2mi2A

0.27

0.21

0.79

2.89

PPAS

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2mi2A

0.27

0.21

0.79

2.79

Env-PPAS

MF-DIGFSELLLVFIIGLVVLGPQRLPVAVKTVAGWIRALRSLATTVQNELTQELKQEFQDSLKKVEKASLTNLTPELKASMDELRQAAESMKRSYVANDPLEH---------------------------

2l16A

0.27

0.11

0.40

1.24

MUSTER

MFSNIGIPGLILIFVIALIIFGPSKLPEIGRAAGRTLLEFKSATKSLVSGDE-------------------------------------------------------------------------------

2l16A

0.27

0.11

0.40

1.30

dPPAS

MFSNIGIPGLILIFVIALIIFGPSKLPEIGRAAGRTLLEFKSATKSLVSGDE-------------------------------------------------------------------------------

(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=-1.40

Estimated TM-score = 0.54±0.15

Estimated RMSD = 7.4±4.3Å

Download Model 2

C-score=-1.55

Download Model 3

C-score=-1.94

Download Model 4

C-score=-2.79

Download Model 5

C-score=-2.80

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	3g61A	0.497	4.13	0.041	0.794
2	1dgkN	0.487	4.61	0.046	0.809
3	2z6gA	0.471	4.99	0.023	0.847
4	3gqnA	0.466	4.48	0.045	0.801
5	2wb1A	0.438	4.78	0.114	0.748
6	3cmuA	0.435	5.25	0.067	0.824
7	1qq1A	0.431	5.45	0.058	0.847
8	2wr0B	0.431	4.46	0.044	0.656
9	1ha0A	0.427	4.75	0.043	0.679
10	2pffB	0.425	4.92	0.091	0.786

(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	0.12	5	3wfbB	HEC	Rep, Mult	23,25
2	0.05	2	5i50A	NUC	Rep, Mult	38,41
3	0.05	2	3kziX	CLA	Rep, Mult	85,88
4	0.02	1	4amiA	2CV	Rep, Mult	26,30
5	0.02	1	2fp0A	MG	Rep, Mult	127,129,130
6	0.02	1	1zyrN	STD	Rep, Mult	33,36,37,41
7	0.02	1	1q0kE	THJ	Rep, Mult	41,44
8	0.02	1	2ev1A	OLA	Rep, Mult	2,12,15,16,85,86
9	0.02	1	2wieB	CVM	Rep, Mult	18,19
10	0.02	1	1a8bA	GPE	Rep, Mult	6,58
11	0.02	1	3ak3D	EDO	Rep, Mult	44,47
12	0.02	1	2gl7D	III	Rep, Mult	3,5,9,13
13	0.02	1	2fkwA	BCL	Rep, Mult	28,35
14	0.02	1	3rj1I	SE	Rep, Mult	1,5
15	0.02	1	3swfB	ZN	Rep, Mult	83,87

	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	1pg0A	0.384	5.31	0.048	0.687	6.1.1.10	NA
2	0.060	2vdcF	0.340	5.05	0.029	0.649	1.4.1.13	NA
3	0.060	1b0pA	0.418	4.65	0.008	0.664	1.2.7.1	NA
4	0.060	1d8dA	0.420	4.35	0.035	0.687	2.5.1.58	NA
5	0.060	3g61A	0.497	4.13	0.041	0.794	3.6.3.44	NA
6	0.060	1bglA	0.336	5.65	0.067	0.679	3.2.1.23	NA
7	0.060	1qhaA	0.439	4.72	0.050	0.756	2.7.1.1	NA
8	0.060	1ffyA	0.396	4.76	0.042	0.710	6.1.1.5	NA
9	0.060	1cb8A	0.415	5.12	0.041	0.741	4.2.2.5	NA
10	0.060	3ixzA	0.389	4.85	0.024	0.702	3.6.3.10	NA
11	0.060	1pfuA	0.386	4.09	0.034	0.595	6.1.1.10	NA
12	0.060	2vdcA	0.390	4.84	0.039	0.679	1.4.1.13	NA
13	0.060	1a31A	0.295	4.61	0.016	0.504	5.99.1.2	73
14	0.060	1xnvA	0.408	5.01	0.053	0.748	6.4.1.3	40
15	0.060	2np0A	0.493	4.86	0.008	0.863	3.4.24.69	NA
16	0.060	3dpyA	0.418	4.31	0.035	0.687	2.5.1.58,2.5.1.59	NA
17	0.060	3c5wA	0.323	4.87	0.124	0.550	3.1.3.16	NA
18	0.060	1z1wA	0.388	4.66	0.048	0.656	3.4.11.-	NA
19	0.060	3btaA	0.391	5.11	0.049	0.725	3.4.24.69	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	0.325	4.56	0.03	0.53	4pl0B	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0016887 GO:0030153 GO:0042626 GO:0043213 GO:0055085
1	0.07	0.376	5.51	0.06	0.78	5c73A	GO:0000166 GO:0005524 GO:0006810 GO:0016021 GO:0016887 GO:0042626 GO:0055085
2	0.07	0.337	5.26	0.04	0.61	4a82A	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042626 GO:0055085
3	0.06	0.433	4.30	0.07	0.66	4ayxA	GO:0000166 GO:0005215 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0032592 GO:0042626 GO:0042803 GO:0055085
4	0.06	0.413	5.37	0.06	0.82	3j9tP	GO:0000221 GO:0000329 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0007035 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0046961
5	0.06	0.351	4.34	0.03	0.54	3b5wA	GO:0000166 GO:0005319 GO:0005524 GO:0005886 GO:0006810 GO:0006869 GO:0008144 GO:0008289 GO:0015437 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0034040 GO:0042626 GO:0043190 GO:0055085 GO:1901264
6	0.06	0.422	4.55	0.05	0.67	4q4aA	GO:0000166 GO:0005524 GO:0006810 GO:0006869 GO:0016020 GO:0016021 GO:0016887 GO:0034040 GO:0042626 GO:0046872 GO:0055085
7	0.06	0.326	4.02	0.05	0.47	4mycA	GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0006811 GO:0006879 GO:0016020 GO:0016021 GO:0016887 GO:0022857 GO:0042626 GO:0044281 GO:0055072 GO:0055085
8	0.06	0.411	4.30	0.01	0.65	3wmgA	GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
9	0.06	0.323	5.30	0.03	0.63	2iw3B	GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
10	0.06	0.332	4.52	0.01	0.54	5do7A	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0007584 GO:0007588 GO:0010212 GO:0010949 GO:0015918 GO:0016020 GO:0016021 GO:0016324 GO:0016887 GO:0017127 GO:0030299 GO:0033344 GO:0042493 GO:0042626 GO:0042632 GO:0043190 GO:0043235 GO:0045177 GO:0045796 GO:0046982 GO:0055085
11	0.06	0.356	5.04	0.04	0.60	4ux3A	GO:0000166 GO:0003682 GO:0005524 GO:0005634 GO:0005694 GO:0006281 GO:0007049 GO:0007064 GO:0007067 GO:0007130 GO:0007131 GO:0008280 GO:0016887 GO:0030437 GO:0034990 GO:0042802 GO:0051177 GO:0051276 GO:0051301 GO:1990414
12	0.06	0.469	4.31	0.05	0.74	4m1mA	GO:0000086 GO:0000166 GO:0002481 GO:0002485 GO:0002489 GO:0002591 GO:0005524 GO:0005886 GO:0006810 GO:0006855 GO:0008559 GO:0009986 GO:0015893 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042623 GO:0042626 GO:0042908 GO:0046581 GO:0055085 GO:0070062 GO:0072089
13	0.06	0.268	4.61	0.03	0.43	1g291	GO:0000166 GO:0005215 GO:0005524 GO:0005886 GO:0006810 GO:0008643 GO:0015423 GO:0015768 GO:0016020 GO:0016787 GO:0016820 GO:0016887 GO:0043190 GO:0046872 GO:0055085
14	0.06	0.321	4.75	0.02	0.54	3zgxB	GO:0000166 GO:0003677 GO:0005524 GO:0005694 GO:0005737 GO:0006260 GO:0007059 GO:0007062 GO:0030261 GO:0042802 GO:0051276
15	0.06	0.338	4.80	0.07	0.54	5da9A	GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
16	0.06	0.280	5.30	0.00	0.53	5d3mA	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016787 GO:0016887 GO:0043190
17	0.06	0.353	5.39	0.05	0.69	4ry2A	GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
18	0.06	0.338	5.18	0.02	0.63	3gd7A	GO:0000166 GO:0005215 GO:0005224 GO:0005254 GO:0005260 GO:0005524 GO:0005737 GO:0005765 GO:0005768 GO:0005769 GO:0005829 GO:0005886 GO:0006695 GO:0006810 GO:0006811 GO:0006821 GO:0006904 GO:0007585 GO:0008643 GO:0009986 GO:0015106 GO:0015108 GO:0015423 GO:0015609 GO:0015701 GO:0015768 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0016787 GO:0016820 GO:0016887 GO:0017081 GO:0019869 GO:0019899 GO:0030165 GO:0030301 GO:0030660 GO:0031205 GO:0031234 GO:0031901 GO:0033613 GO:0034707 GO:0035774 GO:0042626 GO:0042956 GO:0043190 GO:0043225 GO:0043234 GO:0045921 GO:0048240 GO:0051454 GO:0055037 GO:0055085 GO:0060081 GO:0070062 GO:0071320 GO:1902161 GO:1902476 GO:1902943 GO:1990060

Consensus prediction of GO terms

Molecular Function	GO:0015405	GO:0035639	GO:0043492	GO:0016820	GO:0032550	GO:0032559
GO-Score	0.47	0.47	0.47	0.47	0.47	0.47
Biological Processes	GO:0044765	GO:0044763
GO-Score	0.47	0.47
Cellular Component	GO:0031224
GO-Score	0.38

(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 Rv1224

[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]