D-I-TASSER O95396-D2

D-I-TASSER results for O95396-D2

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

Input Sequence in FASTA format

>O95396 (134 residues)
LQLLSPEERVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESL
KLLKEAIWEEKQGTQEGAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL
MAWAAKIDGTFPQY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| LQLLSPEERVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQGTQEGAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGLMAWAAKIDGTFPQY
Prediction	CCCCCCCCCSCHHHHHHHHHCCCCCSSSSCCCHHHHHHCCCCCCSSCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCSSSSCCCCHHHHHHHHHHHHHCCCCCCCCCCSSSCCCCHHHHHHHHCCCCCCC
Confidence	99899654129999999997199948997899899973558998765877888766666554333221000001368999689986999499999999999287445687407984561899877517899999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| LQLLSPEERVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQGTQEGAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGLMAWAAKIDGTFPQY
Prediction	66314764513063045217766511000013650143040540321214404632552364355434444544545563300000233420230042037331554454330210321042137503573468
	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                 100                 120

                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCSCHHHHHHHHHCCCCCSSSSCCCHHHHHHCCCCCCSSCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCSSSSCCCCHHHHHHHHHHHHHCCCCCCCCCCSSSCCCCHHHHHHHHCCCCCCC
LQLLSPEERVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQGTQEGAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGLMAWAAKIDGTFPQY

3fs5A

0.16

0.15

4.99

1.33

DEthreader

YSITNV-KYLDPTELHRWMQEGHPFQVVDVRG-SDYMGGHIKDGWHYAYSRLKQDP-EYLRELKHRLLEKQA-DGRG-ALNVIFHMLSQQRGPSAAMLLLRSL-DTAELSCRLWVLRGGFSRWQSVYGDDYLLW

3i2vA

0.98

0.90

25.30

2.28

SPARKS-K

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQG---TAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.98

0.90

25.30

0.97

MapAlign

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQG---TAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.98

0.90

25.10

0.64

CEthreader

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEK---QGTAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.98

0.90

25.10

1.99

MUSTER

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQ---GTAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.98

0.90

25.10

1.30

HHsearch

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEK---QGTAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.98

0.90

25.10

2.17

FFAS-3D

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEK---QGTAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

3i2vA

0.93

0.85

23.89

0.87

EigenThreader

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQ---GTAAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGLAWAAKID-GTFPQY

3i2vA

0.99

0.92

25.71

1.68

CNFpred

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQGT---AAVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGLMAWAAKIDGTFPQY

3i2vA

0.97

0.89

24.90

1.33

DEthreader

-------SRVSVTDYKRLLDSGAFHLLLDVRPQVEVDICRLPHALHIPLKHLERRDAESLKLLKEAIWEEKQ--GTA-AVPIYVICKLGNDSQKAVKILQSLSAAQELDPLTVRDVVGGL-AWAAKIDGTFPQY

(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	0.9025

(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	3i2vA	0.86	1.35	0.976	0.918	model1_3i2vA.pdb.gz
2	3fs5A	0.81	2.37	0.125	0.955	model1_3fs5A.pdb.gz
3	1cwsA	0.77	2.62	0.128	0.925	model1_1cwsA.pdb.gz
4	1c25A	0.75	2.60	0.121	0.918	model1_1c25A.pdb.gz
5	6yubA	0.75	2.70	0.274	0.903	model1_6yubA.pdb.gz
6	2j6pA	0.75	2.29	0.162	0.866	model1_2j6pA.pdb.gz
7	3op3A	0.74	2.77	0.121	0.918	model1_3op3A.pdb.gz
8	3tp9A3	0.67	1.99	0.307	0.746	model1_3tp9A3.pdb.gz
9	3d1pA	0.67	2.96	0.214	0.821	model1_3d1pA.pdb.gz
10	2oucA	0.67	3.11	0.164	0.851	model1_2oucA.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:0016740	1.00	transferase activity
GO:0004792	0.96	thiosulfate sulfurtransferase activity
GO:0016779	0.87	nucleotidyltransferase activity
GO:0042292	0.83	URM1 activating enzyme activity
GO:0070733	0.82	protein adenylyltransferase 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:0044237	0.99	cellular metabolic process
GO:0019538	0.99	protein metabolic process
GO:1901360	0.96	organic cyclic compound metabolic process
GO:0046483	0.96	heterocycle metabolic process
GO:0006807	0.96	nitrogen compound metabolic process
GO:0044260	0.88	cellular macromolecule metabolic process
GO:0044267	0.87	cellular protein metabolic process
GO:0043412	0.87	macromolecule modification
GO:0006464	0.86	cellular protein modification process
GO:0034641	0.85	cellular nitrogen compound metabolic process
GO:0090304	0.84	nucleic acid metabolic process
GO:0006399	0.83	tRNA metabolic process
GO:0006396	0.83	RNA processing
GO:0034227	0.82	tRNA thio-modification
GO:0002098	0.82	tRNA wobble uridine modification
GO:0032446	0.81	protein modification by small protein conjugation
GO:0032447	0.80	protein urmylation
GO:0002143	0.80	tRNA wobble position uridine thiolation

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:0044444	1.00	cytoplasmic part
GO:0005829	0.99	cytosol

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	0.219	3f4aB	0.774	2.09	0.139	0.903	3.1.3.16	46
2	0.199	1cwsA	0.766	2.62	0.128	0.925	3.1.3.48	49,86,118
3	0.114	2gwfC	0.700	2.92	0.093	0.881	3.1.2.15	39,41
4	0.108	3d1pA	0.670	2.96	0.214	0.821	2.8.1.1	NA
5	0.066	1tq1A	0.482	3.77	0.250	0.754	2.8.1.1	10,12,19,28,31,48,82,86,89,115,118,123

	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	0.15	3icsB	0.660	2.51	0.215	0.776	0.68	ADP	complex1.pdb.gz	85,89,91,116,117,118
2	0.04	1qxnB	0.622	3.21	0.204	0.821	1.27	PS5	complex2.pdb.gz	31,86,89,90,91,119,120,121
3	0.04	1qxnA	0.619	3.07	0.198	0.806	1.25	PS5	complex3.pdb.gz	31,86,118,119,120
4	0.03	1siwA	0.560	4.44	0.078	0.940	0.49	SF4	complex4.pdb.gz	92,93,115,116,118
5	0.03	1c4aA	0.563	4.16	0.079	0.910	0.41	FES	complex5.pdb.gz	84,85,86,90,91,92,116

	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, 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. In preparation, 2020.