[Home] [Server] [Queue] [About] [Remove] [Statistics]

I-TASSER results for job id S773518

(Click on S773518_results.tar.bz2 to download the tarball file including all modeling results listed on this page. Click on Annotation of I-TASSER Output to read the instructions for how to interpret the results on this page. Model results are kept on the server for 60 days, there is no way to retrieve the modeling data older than 2 months)

Submitted Sequence in FASTA format

>protein
MNSFSAFSEMFGSDYEPQGGDYCPTLATSCPKKPAGRKKFRETRHPIYRGVRQRNSGKWV
SEVREPNKKTRIWLGTFQTAEMAARAHDVAALALRGRSACLNFADSAWRLRIPESTCAKD
IQKAAAEAALAFQDETCDTTTTNHGLDMEETMVEAIYTPEQSEGAFYMDEETMFGMPTLL
DNMAEGMLLPPPSVQWNHNYDGEGDGDVSLWSY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 \| \| \| \| \| \| \| \| \| \| MNSFSAFSEMFGSDYEPQGGDYCPTLATSCPKKPAGRKKFRETRHPIYRGVRQRNSGKWVSEVREPNKKTRIWLGTFQTAEMAARAHDVAALALRGRSACLNFADSAWRLRIPESTCAKDIQKAAAEAALAFQDETCDTTTTNHGLDMEETMVEAIYTPEQSEGAFYMDEETMFGMPTLLDNMAEGMLLPPPSVQWNHNYDGEGDGDVSLWSY
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCSSSSSCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	965467742236777876777786656679988887787766789840465156888504565178876325757856899999989999998308632136998633368887788889899988765214755456667776666555445666675445663301634213777999977543246998566777765677776688898
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 \| \| \| \| \| \| \| \| \| \| MNSFSAFSEMFGSDYEPQGGDYCPTLATSCPKKPAGRKKFRETRHPIYRGVRQRNSGKWVSEVREPNKKTRIWLGTFQTAEMAARAHDVAALALRGRSACLNFADSAWRLRIPESTCAKDIQKAAAEAALAFQDETCDTTTTNHGLDMEETMVEAIYTPEQSEGAFYMDEETMFGMPTLLDNMAEGMLLPPPSVQWNHNYDGEGDGDVSLWSY
Prediction	855244346334464545456433333464464546466366543230200131633200000133654110001327203300311010011032650210124334414334423374034103522443446646444455444464444644434434431220112221423301321241221100332333322233323130347
	Values range from 0 (buried residue) to 9 (highly exposed residue)

Predicted normalized B-factor

(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

(I-TASSER modeling starts from the structure templates identified by LOMETS from the PDB library. LOMETS is a meta-server threading approach containing multiple threading programs, where each threading program can generate tens of thousands of template alignments. I-TASSER only uses the templates of the highest significance in the threading alignments, the significance of which are measured by the Z-score, i.e. the difference between the raw and average scores in the unit of standard deviation. The templates in this section are the 10 best templates selected from the LOMETS threading programs. Usually, one template of the highest Z-score is selected from each threading program, where the threading programs are sorted by the average performance in the large-scale benchmark test experiments.)

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Z-score

Download
Align.

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |             

Sec.Str
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCSSSSSCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCC
MNSFSAFSEMFGSDYEPQGGDYCPTLATSCPKKPAGRKKFRETRHPIYRGVRQRNSGKWVSEVREPNKKTRIWLGTFQTAEMAARAHDVAALALRGRSACLNFADSAWRLRIPESTCAKDIQKAAAEAALAFQDETCDTTTTNHGLDMEETMVEAIYTPEQSEGAFYMDEETMFGMPTLLDNMAEGMLLPPPSVQWNHNYDGEGDGDVSLWSY

5wx9A

0.32

0.23

0.57

1.85

Download

------------------------------------------AEHGKYRGVRRRPWGKYAAEIRDSRKHERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSSTAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK--------------------------------------------------

5wx9

0.33

0.23

0.61

3.46

Download

-------------------------------MD-Q-GGRGVGAEHGKYRGVRRRPWGKYAAEIRDSRHGERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSST------AMAGSS-S--AS---------A--------------SASSSS-----RQVFEFEYLDDSVLEELLEEGEK----PNKGK--KK-------

7wq5A

0.23

0.16

0.44

4.19

Download

----------------------------------------STRRSSIYRGVTRHRTGRFEAHLWDKKKGKQVYLGAYDSEEAAAHTYDLAALKYWGPDTILNFPAETYTKEEMQRVTKEEYLASLRRQSSGFSR-------------------------------------------------------------------------------

5wx9A

0.32

0.23

0.61

2.69

Download

-------------------------------MDQGGRGVG--AEHGKYRGVRRRPWGKYAAEIRDSRKHERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSSTAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK--------------------------------------------------

5wx9

0.49

0.23

0.31

4.50

Download

-------------------------------------------EHGKYRGVRRRPWGKYAAEIRDSRHGERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMG-------------------------------------------------------------------------------------------------------

5wx9A

0.30

0.23

0.61

2.28

Download

---------------------------------MDQGGRGVGAEHGKYRGVRRRPWGKYAAEIRDSRKHERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSSTAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK--------------------------------------------------

1gccA

0.56

0.17

0.27

1.21

Download

-------------------------------------------KH--YRGVRQRPWGKFAAEIRDPAKN-----GTFETAEDAALAYDRAAFRMRGSRALLNFPLRV----------------------------------------------------------------------------------------------------------

7xx7U

0.08

0.18

0.88

1.14

Download

MSVELEEALPVTTAEGMAKKVTKAGGSAALSPSKKRKNSKKKNQPGKYSTIRRLGERNGSSLAKKVPW------FDQQNGRTYLKYSIKALVQ-NDTNRKKLEGGGERRGAPAAATAPAPTAHKAKKAAPGAAGSRRADKKPARGQKPEQRSHKKGAGAKKDKGGKAKKT-------------------AAAGGKKVKKAAKPSVPKVPKGRK

5wx9A

0.30

0.23

0.61

3.09

Download

---------------------------------MDQGGRGVGAEHGKYRGVRRRPWGKYAAEIRDSRKGERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSS------STAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK--------------------------------------------

5wx9A

0.31

0.23

0.60

2.56

Download

------------------------------------GGRGVGAEHGKYRGVRRRPWGKYAAEIRDSRKHERVWLGTFDTAEEAARAYDQAAYSMRGQAAILNFPHEYNMGSGVSSSTAMAGSSSASASASSSSRQVFEFEYLDDSVLEELLEEGEKPNKGKKK--------------------------------------------------

(a)	All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)	Rank of templates represents the top ten threading templates used by I-TASSER.
(c)	Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)	Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)	Cov represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)	Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)	Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)	The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
	1: FFAS-3D 2: HHSEARCH I 3: HHSEARCH2 4: Neff-PPAS 5: HHSEARCH 6: wdPPAS 7: pGenTHREADER 8: PROSPECT2 9: SP3 10: FFAS03

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 a higher value signifies a model with a higher 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.)

(By right-click on the images, you can export image file or change the configurations, e.g. modifying the background color or stopping the spin of your models)

Download Model 1 C-score=-3.24 (Read more about C-score) Estimated TM-score = 0.35±0.12 Estimated RMSD = 13.1±4.1Å	Download Model 2 C-score = -3.63	Download Model 3 C-score = -3.80	Download Model 4 C-score = -3.85	Download Model 5 C-score = -4.03

Proteins structurally close to the target in the 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	Alignment
1	5wx9A	0.551	1.89	0.295	0.606	Download
2	7qp3A	0.431	5.56	0.041	0.742	Download
3	4k90A	0.430	5.75	0.036	0.751	Download
4	3aqpA2	0.430	5.43	0.057	0.709	Download
5	7qfyA	0.428	5.59	0.041	0.737	Download
6	8bdcA1	0.425	5.19	0.043	0.671	Download
7	2vdcA	0.423	6.06	0.053	0.765	Download
8	5whqA1	0.423	5.54	0.090	0.704	Download
9	2ccdA	0.423	5.43	0.068	0.695	Download
10	1ub2A1	0.421	5.74	0.088	0.718	Download

(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 COFACTOR and COACH

(This section reports biological annotations of the target protein by COFACTOR and COACH based on the I-TASSER structure prediction. While COFACTOR deduces protein functions (ligand-binding sites, EC and GO) using structure comparison and protein-protein networks, COACH is a meta-server approach that combines multiple function annotation results (on ligand-binding sites) 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	0.17	6	1xjnA	DTP	Rep, Mult	61,62,63,85,92,93,101
2	0.11	4	1eccA	ONL	Rep, Mult	52,62,78,79,85,86
3	0.10	3	1gccA	Nuc.Acid	Rep, Mult	48,49,50,52,54,62,64,66,87
4	0.03	1	1gccA	Nuc.Acid	N/A	52,54,56,58,64,71,73,75,76
5	0.03	1	1xjnC	DTP	Rep, Mult	85,92,99,101

	Download the residue-specific ligand binding probability, which is estimated by SVM.
	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	0.076	1sj2A	0.404	5.45	0.043	0.685	1.11.1.6 1.11.1.7	NA
2	0.072	1ecfB	0.406	5.60	0.046	0.681	2.4.2.14	NA
3	0.071	3hm7B	0.400	5.65	0.052	0.690	3.5.2.5	NA
4	0.068	1xjjA	0.406	5.87	0.064	0.704	1.17.4.1	NA
5	0.064	2fxhA	0.408	5.51	0.037	0.690	1.11.1.7 1.11.1.6	NA

	Click on the radio buttons to visualize predicted active site residues.
(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
Top 10 homologous GO templates in PDB
1	0.08	0.4042	5.45	0.04	0.69	1sj2A	GO:0005576 GO:0046677 GO:0046872 GO:0004601 GO:0020037 GO:0070402 GO:0070404 GO:0004096 GO:0042803 GO:0016677 GO:0005829 GO:0055114 GO:0006979 GO:0005886 GO:0042744 GO:0016491
2	0.07	0.4007	5.60	0.04	0.69	1lrzA	GO:0007047 GO:0005737 GO:0008360 GO:0009252 GO:0016740 GO:0016746 GO:0000166 GO:0016755
3	0.07	0.4062	5.60	0.05	0.68	1ecfB	GO:0006541 GO:0016740 GO:0006164 GO:0004044 GO:0005829 GO:0046872 GO:0005737 GO:0016757 GO:0008152 GO:0009113 GO:0009116
4	0.07	0.3352	6.11	0.07	0.62	1xjeA	GO:0000166 GO:0004748 GO:0005524 GO:0005971 GO:0006260 GO:0031419 GO:0055114
5	0.06	0.4137	5.66	0.04	0.70	3o8yA	GO:0031965 GO:0042446 GO:0019233 GO:0005641 GO:0006954 GO:0002540 GO:0016702 GO:0046872 GO:0055114 GO:0019372 GO:0016491 GO:0005506 GO:0007584 GO:0005737 GO:0005625 GO:0006691 GO:0042383 GO:0004051 GO:0005635 GO:0006692 GO:0002526 GO:0019369 GO:0019370 GO:0045907 GO:0016020 GO:0005634 GO:0030425 GO:0005829 GO:0005515 GO:0016363 GO:0016165
6	0.06	0.4088	5.25	0.07	0.68	1t0qA	GO:0016491 GO:0004497 GO:0046872 GO:0046914 GO:0055114 GO:0006725
7	0.06	0.3999	5.58	0.05	0.69	1j36A	GO:0006508 GO:0008237 GO:0008241 GO:0016020
8	0.06	0.4189	5.28	0.04	0.69	3dhiA	GO:0055114 GO:0016491 GO:0019439 GO:0004497 GO:0006725 GO:0046914 GO:0046872
9	0.06	0.4001	5.65	0.05	0.69	3hm7B	GO:0046872 GO:0016787 GO:0004038 GO:0006144 GO:0000256 GO:0008270 GO:0016810 GO:0016812 GO:0050897
10	0.06	0.3338	5.52	0.03	0.59	3ps5A	GO:0004725 GO:0060338 GO:2000045 GO:0060333 GO:0008284 GO:0050900 GO:0005737 GO:0016787 GO:0006915 GO:0007186 GO:0031295 GO:0006470 GO:0007165 GO:0005829 GO:0060337 GO:0035335 GO:0050732 GO:0034329 GO:0060334 GO:0030168 GO:0005515 GO:0005634 GO:0004721 GO:0016020 GO:0014068 GO:0007596 GO:0019221 GO:0016311 GO:0016791

Consensus prediction of GO terms

Molecular Function GO:0043167

GO-Score 0.40

Biological Process GO:0055114 GO:0046677 GO:0042744 GO:0009252 GO:0007047 GO:0008360 GO:0009113 GO:0006164 GO:0006541 GO:0009116

GO-Score 0.19 0.08 0.08 0.07 0.07 0.07 0.07 0.07 0.07 0.07

Cellular Component GO:0044444

GO-Score 0.40

(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 S773518_results.tar.bz2 to download the tarball file including all modeling results listed on this page]

Please cite the following articles when you use the I-TASSER server:

Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. Cell Reports Methods, 1: 100014 (2021).
Chengxin Zhang, Peter L. Freddolino, and Yang Zhang. COFACTOR: improved protein function prediction by combining structure, sequence and protein-protein interaction information. Nucleic Acids Research, 45: W291-299 (2017).
Jianyi Yang, Yang Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.