I-TASSER results

Input Sequence in FASTA format

>protein (100 residues)
MIVGLADRHGHGRDVAAHRQAQLAGPRVAAVRRHRTGGHRQASSRIKVSAHGLGVVRCAP
TPSLTGVRMKLQHSSVRQVPVDRPESRHQKPGDVPRDPRC

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MIVGLADRHGHGRDVAAHRQAQLAGPRVAAVRRHRTGGHRQASSRIKVSAHGLGVVRCAPTPSLTGVRMKLQHSSVRQVPVDRPESRHQKPGDVPRDPRC
Prediction	CCCCCCCCCCCCHHHHHHHHHHHHCCCEEEEEEHCCCCCCCCCCCEEEEEHCCEEEEHCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	9555445678765678888888768754456664567764445646787656657886799886557777645555557898865557898899999999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MIVGLADRHGHGRDVAAHRQAQLAGPRVAAVRRHRTGGHRQASSRIKVSAHGLGVVRCAPTPSLTGVRMKLQHSSVRQVPVDRPESRHQKPGDVPRDPRC
Prediction	6332214434444423444525244442331443444445534541413242221031243451441323154541452327446644664463465578
	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

                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCCCCCCCHHHHHHHHHHHHCCCEEEEEEHCCCCCCCCCCCEEEEEHCCEEEEHCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MIVGLADRHGHGRDVAAHRQAQLAGPRVAAVRRHRTGGHRQASSRIKVSAHGLGVVRCAPTPSLTGVRMKLQHSSVRQVPVDRPESRHQKPGDVPRDPRC

2ftcK

0.18

0.15

0.83

0.69

MUSTER

LRVTTADPYASGK-----ISQ-FLG--C--IQRSGRGLGATFILR-NVI-EGQGVEICFENPRVQEIQVV-KLEKRLDDSL-R--DALPEYSTFDVNMK-

2gvhB2

0.20

0.17

0.85

0.61

dPPAS

EIVFPDQANSAGTKAAFVAASRYCGKLVVLASSERIDFARAIEIGEIVEAQ--AHVERVGRSSSIQTKLWSENLLTGEVAVDRPATI-------------

2ftcK

0.19

0.15

0.81

0.61

wdPPAS

LRVTTADPYASGK------SQ-FLG-----IQRSGRGLGATFILR-NVI-EGQGVEICFENPRVQEIQV-VKLEKRLDDSL-R--DALPEYSTFDVNMK-

1y8pA

0.23

0.22

0.95

0.82

wMUSTER

LSIKISDL-GGG--VPLRKIDRLFNYMYSTAPRPLAGGYGLPISRLYARYFQ-GDLKLYSMEG-TDAVIYLKAESFERLPVNKSAWRHPEADDNPSEPRD

2ftcK

0.22

0.17

0.79

0.63

wPPAS

LRVTTADPYASGK------SQ-FLG--C--IQRSGRGLGATFILR-NVI-EGQGVEICFENPRVQEIQV-VKLEKRLD---DS---R-DALPEYSTDVNM

3j1zP2

0.21

0.16

0.76

0.59

dPPAS2

------DRELDEDTRQRIKLIAKEDPRVLGLHDLRT---RQAGKTVFIQFHL--ELD----GNLSTTGLRVKAAF--------EDAEHQDPVQVEPTTQ-

2ftcK

0.18

0.15

0.82

0.73

PPAS

LRVTTADPYASGK------SQ-FLG--C--IQRSGRGLGATFILR-NVI-EGQGVEICFENPRVQEIQVV-KLEKRLDDSL-R--DALPEYSTFDVNMK-

2zylA1

0.21

0.15

0.73

0.70

Env-PPAS

HGVEAF-----GTKLVVFADSH--G-DLKVLDGYCR--HMGGDSEGTVKG---DEVAC-P---FHDWRWGG-DGRCKLVP-------YA--RRTPRMART

1mliA

0.24

0.21

0.88

0.67

MUSTER

MTVKLP--VDMDPAKATQLKADEK----ELAQRLQREGTWRHLWRI-AGHYAYSVFD-VPSVELHDTLMQLPLFPYMDIEVD-GLCRH--PSSIHSDDR-

4ntqA

0.12

0.09

0.75

0.61

dPPAS

-----------LKGKEAQEAASNLGFDRRIPPQKAPFNSHGQP----VFYDGKNYITPDIDSHNVTNGWKFNSKGKRIGTYDSGLNRIKD----------

(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=-3.42

Estimated TM-score = 0.34±0.11

Estimated RMSD = 11.6±4.5Å

Download Model 2

C-score=-3.59

Download Model 3

C-score=-4.02

Download Model 4

C-score=-4.59

Download Model 5

C-score=-3.43

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	2p51A	0.506	4.28	0.020	0.910
2	2kzzA1	0.495	3.95	0.096	0.820
3	5fiqA	0.494	4.00	0.032	0.860
4	4nlbA	0.491	4.17	0.053	0.860
5	4x0pA1	0.490	3.94	0.011	0.820
6	3safA1	0.486	4.10	0.043	0.850
7	1wd4A1	0.482	3.87	0.058	0.810
8	2d5rA	0.480	4.35	0.010	0.900
9	3d45A	0.480	4.20	0.021	0.860
10	5dktA	0.480	4.28	0.032	0.860

(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	0.19	7	5lopA	MG	Rep, Mult	19,20
2	0.08	3	4ixmA	ZN	Rep, Mult	15,22,58
3	0.06	2	2hgq5	III	Rep, Mult	14,47,59,60
4	0.06	2	2bs2A	NA	Rep, Mult	23,28,29,30
5	0.06	2	1x1cA	ZN	Rep, Mult	14,18
6	0.03	1	1qvo8	III	Rep, Mult	34,35,44,45,47,60
7	0.03	1	3g8rA	ZN	Rep, Mult	9,34

	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	1d8yA	0.491	4.06	0.083	0.830	2.7.7.7	28
2	0.060	2gv9B	0.466	4.69	0.071	0.920	2.7.7.7	50
3	0.060	2rc4A	0.455	3.42	0.012	0.720	2.3.1.48,	NA
4	0.060	1yt3A	0.461	4.12	0.055	0.820	3.1.13.5	NA
5	0.060	1whvA	0.269	5.39	0.029	0.580	3.1.13.4	NA
6	0.060	2q2rA	0.454	4.11	0.058	0.780	2.7.1.2	NA
7	0.060	2p0mB	0.348	5.08	0.071	0.760	1.13.11.33	23,33
8	0.060	1kflA	0.448	4.62	0.032	0.840	2.5.1.54	NA
9	0.060	1of6A	0.463	3.81	0.061	0.800	2.5.1.54,4.1.2.15	9
10	0.060	2qf7B	0.449	4.33	0.054	0.830	6.4.1.1	NA
11	0.060	2p51A	0.506	4.28	0.020	0.910	3.1.13.4	NA
12	0.060	1ubuS	0.454	4.18	0.096	0.750	1.12.2.1	62
13	0.060	2pq8A	0.463	3.37	0.051	0.710	2.3.1.48	NA
14	0.060	2a1rB	0.388	4.47	0.027	0.680	3.1.13.4	43,85
15	0.060	1s0kA	0.391	4.04	0.013	0.690	3.2.1.18	65
16	0.060	1a39A	0.445	4.11	0.061	0.740	3.2.1.4	NA
17	0.060	1jnrA	0.461	4.43	0.032	0.880	1.8.99.2	NA
18	0.060	1yqwA	0.450	4.19	0.084	0.750	1.12.2.1	NA
19	0.060	3h0lA	0.455	4.45	0.052	0.830	6.3.5.-	54

(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	0.491	4.06	0.08	0.83	1d8yA	GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0005737 GO:0005829 GO:0006139 GO:0006260 GO:0006261 GO:0006281 GO:0006284 GO:0006974 GO:0008408 GO:0008409 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
1	0.07	0.496	3.96	0.13	0.82	1kfdA	GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0004527 GO:0005737 GO:0005829 GO:0006139 GO:0006260 GO:0006261 GO:0006281 GO:0006284 GO:0006974 GO:0008408 GO:0008409 GO:0016740 GO:0016779 GO:0016787 GO:0071897 GO:0090305
2	0.07	0.482	4.43	0.01	0.90	4gmjB	GO:0000175 GO:0000289 GO:0000290 GO:0000932 GO:0003676 GO:0003700 GO:0003723 GO:0004518 GO:0004527 GO:0004532 GO:0004535 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005975 GO:0006351 GO:0006355 GO:0006417 GO:0006977 GO:0007165 GO:0008284 GO:0008285 GO:0010629 GO:0016020 GO:0016787 GO:0030014 GO:0031047 GO:0033962 GO:0035195 GO:0043928 GO:0045944 GO:0046872 GO:0060213 GO:0061014 GO:0090305 GO:0090503 GO:1900153
3	0.07	0.474	4.14	0.10	0.83	4xviA	GO:0000724 GO:0003676 GO:0003677 GO:0003887 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0008409 GO:0016740 GO:0016779 GO:0019985 GO:0030332 GO:0036297 GO:0090305
4	0.07	0.490	3.94	0.01	0.82	4x0pA	GO:0000166 GO:0000724 GO:0003676 GO:0003677 GO:0003682 GO:0003684 GO:0003887 GO:0005524 GO:0005634 GO:0005654 GO:0005694 GO:0006260 GO:0006261 GO:0006281 GO:0006284 GO:0006302 GO:0006974 GO:0016446 GO:0016740 GO:0016779 GO:0043142 GO:0051260 GO:0051575 GO:0071897 GO:0097681 GO:2000042
5	0.07	0.472	4.39	0.03	0.88	4b8cA	GO:0000175 GO:0000289 GO:0000932 GO:0003676 GO:0003723 GO:0004518 GO:0004527 GO:0005634 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006368 GO:0016787 GO:0030015 GO:0032968 GO:0046872 GO:0090305 GO:0090503
6	0.07	0.494	4.00	0.03	0.86	5fiqA	GO:0003676 GO:0003723 GO:0005737 GO:0006139 GO:0008408 GO:0031047 GO:0034587 GO:0042803 GO:0043186 GO:0051321 GO:1990923
7	0.07	0.506	4.28	0.02	0.91	2p51A	GO:0000289 GO:0003676 GO:0003723 GO:0003729 GO:0004518 GO:0004527 GO:0004535 GO:0005634 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0016787 GO:0030014 GO:0030015 GO:0046872 GO:0090305 GO:0090503
8	0.07	0.385	4.52	0.03	0.69	2a1sC	GO:0000166 GO:0000184 GO:0000289 GO:0003676 GO:0003723 GO:0003730 GO:0004518 GO:0004527 GO:0004535 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0006402 GO:0007292 GO:0009451 GO:0016787 GO:0019901 GO:0043488 GO:0044822 GO:0046872 GO:0090305 GO:0090503
9	0.07	0.454	4.26	0.02	0.82	3d45B	GO:0000166 GO:0000184 GO:0000289 GO:0003676 GO:0003723 GO:0004518 GO:0004527 GO:0004535 GO:0005634 GO:0005730 GO:0005737 GO:0006402 GO:0016787 GO:0019901 GO:0044822 GO:0046872 GO:0090305 GO:0090503
10	0.07	0.444	3.99	0.06	0.77	4dqqD	GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0006139 GO:0006260 GO:0006261 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0046872 GO:0071897 GO:0090305
11	0.07	0.425	4.60	0.06	0.81	5c51A	GO:0002020 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0005739 GO:0005760 GO:0006259 GO:0006260 GO:0006261 GO:0006264 GO:0006287 GO:0007568 GO:0008408 GO:0009416 GO:0010332 GO:0016740 GO:0016779 GO:0042645 GO:0043195 GO:0043234 GO:0055093 GO:0070062 GO:0071333 GO:0071897 GO:0090305
12	0.07	0.480	4.20	0.02	0.86	3d45A	GO:0000166 GO:0000184 GO:0000289 GO:0003676 GO:0003723 GO:0004518 GO:0004527 GO:0004535 GO:0005634 GO:0005730 GO:0005737 GO:0006402 GO:0016787 GO:0019901 GO:0044822 GO:0046872 GO:0090305 GO:0090503
13	0.07	0.430	4.21	0.07	0.79	4ds4D	GO:0000166 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0004518 GO:0006139 GO:0006260 GO:0006261 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0046872 GO:0071897 GO:0090305
14	0.06	0.397	3.95	0.06	0.69	1sl0A	GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0006261 GO:0008408 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
15	0.06	0.396	4.00	0.12	0.65	2ajqA	GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0006261 GO:0008408 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
16	0.06	0.390	3.96	0.06	0.69	1sksA	GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0006261 GO:0008408 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
17	0.06	0.435	4.32	0.05	0.80	3ikmD	GO:0002020 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0005739 GO:0005760 GO:0006259 GO:0006260 GO:0006261 GO:0006264 GO:0006287 GO:0007568 GO:0008408 GO:0009416 GO:0010332 GO:0016740 GO:0016779 GO:0042645 GO:0043195 GO:0043234 GO:0055093 GO:0070062 GO:0071333 GO:0071897 GO:0090305
18	0.06	0.405	4.30	0.05	0.73	4n56A	GO:0001882 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0071897

Consensus prediction of GO terms

Molecular Function	GO:0097159	GO:1901363	GO:0034061	GO:0004518
GO-Score	0.55	0.55	0.48	0.37
Biological Processes	GO:0034645	GO:0006259	GO:0006974	GO:0034654
GO-Score	0.48	0.48	0.48	0.37
Cellular Component	GO:0044444	GO:0031981
GO-Score	0.37	0.37

(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 Rv2369c

[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]