D-I-TASSER O15394-D3

D-I-TASSER results for O15394-D3

[Click result.zip to download all results on this page]

Input Sequence in FASTA format

>O15394 (93 residues)
VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTEL
TVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

Predicted Secondary Structure

Sequence	20 40 60 80 \| \| \| \| VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF
Prediction	CCCSSSSCCCCSCSSSSCCCCSSSSSSSSSCCCCSSSSSSCCSSCCCCCCSSSSCCCCSSSSCCCCHHHCSSSSSSSSSCCCSSSSSSSSSSC
Confidence	997388268863199948942999999995189889999899996899979998598399994566344869999999789669999999989
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 \| \| \| \| VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF
Prediction	654514545634424054455040424045644250462457550576541403465445445504544554433404163443414046556
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80

                   |                   |                   |                   |

SS
Seq

CCCSSSSCCCCSCSSSSCCCCSSSSSSSSSCCCCSSSSSSCCSSCCCCCCSSSSCCCCSSSSCCCCHHHCSSSSSSSSSCCCSSSSSSSSSSC
VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

1tlkA

0.26

7.95

1.50

DEthreader

VKPYFTK--TILDMDVVEGSAARFDCKVEGYPDPEVMWFKDDNPVKESRHFQIDYDNCSLTISEVCGDDDAKYTCKAVNSLGEATCTAELLVE

2va4A1

0.98

27.42

1.27

SPARKS-K

SMPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

3dmkA2

0.35

0.34

10.27

0.45

MapAlign

DPPVIRQ--AFQEETMEPGPSVFLKCVAGGNPTPEISWELDGKKIANNDRYQVGDVVSYLNITSVHANDGGLYKCIAKSKVGVAEHSAKLNVY

3dmkA2

0.35

0.34

10.27

0.34

CEthreader

DPPVIRQA--FQEETMEPGPSVFLKCVAGGNPTPEISWELDGKKIANNDRYQVGQVVSYLNITSVHANDGGLYKCIAKSKVGVAEHSAKLNVY

2v5tA2

1.00

28.00

1.08

MUSTER

VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

5i99A

0.21

0.20

6.51

0.43

HHsearch

SAPDFSRNPMKKMVQVQVGSLVILDCKPRASPRALSFWKKGDMMVREQARVSFLND-GGLKIMNVTKADAGTYTCTAENQFGKANGTTHLVVT

2v5tA2

1.00

28.00

1.90

FFAS-3D

VPPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

2kdgA

0.27

8.24

0.32

EigenThreader

GPPRFIQV--PENMSIDEGRFCRMDFKVSGLPAPDVSWYLNGRTVQSDDLHKMIVGLHSLIFEVVRASDAGAYACVAKNRAGEATFTVQLDVL

2xy1A

0.98

27.42

1.73

CNFpred

SMPAISMPQKSFNATAERGEEMTFSCRASGSPEPAISWFRNGKLIEENEKYILKGSNTELTVRNIINSDGGPYVCRATNKAGEDEKQAFLQVF

1u2hA

0.25

7.66

1.50

DEthreader

APPTFKV--SLMDQSVREGQDVIMSIRVQGEPKPVVSWLRNRQPVRPDQRRFAEEALCRLRILAAERGDAGFYTCKAVNEYGARQCEARLEVR

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 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 and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.9468

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	1tlkA	0.93	1.02	0.264	0.979	model1_1tlkA.pdb.gz
2	1u2hA	0.92	1.09	0.253	0.979	model1_1u2hA.pdb.gz
3	3qp3A	0.92	1.07	0.231	0.979	model1_3qp3A.pdb.gz
4	1ya5A	0.92	1.12	0.242	0.979	model1_1ya5A.pdb.gz
5	2wwkO	0.92	1.13	0.275	0.979	model1_2wwkO.pdb.gz
6	2wwmD	0.92	1.06	0.231	0.979	model1_2wwmD.pdb.gz
7	3lafA3	0.91	1.11	0.311	0.968	model1_3lafA3.pdb.gz
8	6efzA	0.91	1.11	0.231	0.979	model1_6efzA.pdb.gz
9	1g1cA	0.91	1.16	0.297	0.979	model1_1g1cA.pdb.gz
10	2r15A2	0.91	1.23	0.228	0.989	model1_2r15A2.pdb.gz

(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 Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:1901363	0.65	heterocyclic compound binding
GO:0097159	0.65	organic cyclic compound binding
GO:0097367	0.64	carbohydrate derivative binding
GO:0042802	0.63	identical protein binding
GO:0003824	0.62	catalytic activity
GO:0035639	0.59	purine ribonucleoside triphosphate binding
GO:0032555	0.59	purine ribonucleotide binding
GO:0032550	0.59	purine ribonucleoside binding
GO:0016740	0.58	transferase activity
GO:0008092	0.57	cytoskeletal protein binding
GO:0005524	0.57	ATP binding
GO:0043167	0.56	ion binding
GO:0016772	0.56	transferase activity, transferring phosphorus-containing groups
GO:0046872	0.55	metal ion binding
GO:0005198	0.55	structural molecule activity
GO:0004672	0.55	protein kinase activity
GO:0032403	0.52	protein complex binding
GO:0008307	0.52	structural constituent of muscle
GO:0004713	0.52	protein tyrosine kinase activity
GO:0003779	0.52	actin binding
GO:0051015	0.51	actin filament binding
GO:0005509	0.51	calcium ion binding
GO:0097493	0.50	structural molecule activity conferring elasticity
GO:0051371	0.50	muscle alpha-actinin binding
GO:0019899	0.50	enzyme binding
GO:0004674	0.50	protein serine/threonine kinase activity

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0044699	0.85	single-organism process
GO:0009987	0.83	cellular process
GO:0044763	0.77	single-organism cellular process
GO:0065007	0.71	biological regulation
GO:0032502	0.71	developmental process
GO:0050789	0.68	regulation of biological process
GO:0050794	0.67	regulation of cellular process
GO:0044767	0.64	single-organism developmental process

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	0.93	cell part
GO:0044424	0.67	intracellular part
GO:0044422	0.51	organelle part
GO:0044425	0.50	membrane part
GO:0044446	0.45	intracellular organelle part
GO:0016020	0.44	membrane
GO:0031224	0.39	intrinsic component of membrane
GO:0044444	0.38	cytoplasmic part
GO:0044459	0.37	plasma membrane part
GO:0016021	0.36	integral component of membrane
GO:0005887	0.31	integral component of plasma membrane
GO:0005886	0.31	plasma membrane
GO:0097458	0.30	neuron part
GO:0032991	0.30	macromolecular complex

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.344	1u2hA	0.923	1.09	0.253	0.979	2.7.11.1	37,41
2	0.297	2bk8A	0.857	1.46	0.256	0.968	2.7.11.1	NA
3	0.287	2wwmD	0.915	1.06	0.231	0.979	2.7.11.1	70
4	0.259	2eo1A	0.816	2.09	0.227	0.946	2.7.11.1	23,43,44
5	0.254	2edwA	0.782	1.65	0.212	0.914	2.7.11.1	26,44,51,59,69

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (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.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.07	2iep0	0.893	1.29	0.341	0.979	0.96	III	complex1.pdb.gz	6,7,12,21,23,25,27,29
2	0.06	1tlk0	0.931	1.02	0.264	0.979	1.12	III	complex2.pdb.gz	1,4,29,31,33,35,36,37,45,53,55,56
3	0.06	3lafA	0.868	1.44	0.289	0.968	0.61	UUU	complex3.pdb.gz	39,41,70,72
4	0.05	2fdb1	0.878	1.58	0.237	1.000	0.63	III	complex4.pdb.gz	30,31,32,33,34,35,37,39,41,44,54,55,58,76,78,79,80,85
5	0.04	3he6C	0.816	1.94	0.169	0.957	0.77	AGH	complex5.pdb.gz	34,79,80

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	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.

[Click result.zip to download all results on this page]

References:
1.	Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.