D-I-TASSER Q9P232-D9

D-I-TASSER results for Q9P232-D9

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

Input Sequence in FASTA format

>Q9P232 (101 residues)
EEEPTVAPSQVSANSLSSSEIEVSWNTIPWKLSNGHLLGYEVRYWNGGGKEESSSKMKVA
GNETSARLRGLKSNLAYYTAVRAYNSAGAGPFSATVNVTTK

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| EEEPTVAPSQVSANSLSSSEIEVSWNTIPWKLSNGHLLGYEVRYWNGGGKEESSSKMKVAGNETSARLRGLKSNLAYYTAVRAYNSAGAGPFSATVNVTTK
Prediction	CCCCCCCCCCSSSSSCCCCSSSSSSSCCCCCCCCCSSCSSSSSSSSCCCCCCCSSSSSSSCCCSSSSSCCCCCCCSSSSSSSSSCCCCSCCCCCCSSSSSC
Confidence	98999999451999836988999984799756894580699999988998753299999189229999698999299999999938841999985899909
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| EEEPTVAPSQVSANSLSSSEIEVSWNTIPWKLSNGHLLGYEVRYWNGGGKEESSSKMKVAGNETSARLRGLKSNLAYYTAVRAYNSAGAGPFSATVNVTTK
Prediction	86444432460414323442443476403575440403444230234566654344342435433230560444040302020314426234154151448
	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 AttentionPotential. 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

                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCSSSSSCCCCSSSSSSSCCCCCCCCCSSCSSSSSSSSCCCCCCCSSSSSSSCCCSSSSSCCCCCCCSSSSSSSSSCCCCSCCCCCCSSSSSC
EEEPTVAPSQVSANSLSSSEIEVSWNTIPWKLSNGHLLGYEVRYWNGGGKEESSSKMKVAGNETSARLRGLKSNLAYYTAVRAYNSAGAGPFSATVNVTTK

1uenA

0.34

10.09

1.50

DEthreader

EDLPMVAPGNVRVNVVNSTLAEVHWDPVPLKSIRGHLQGYRIYYWKTQSSHIEKKILTFQGSKTHGMLPGLEPFSHYTLNVRVVNGKGEGPASPDRVFNTP

5e4qA2

0.90

0.86

24.22

1.68

SPARKS-K

EEEPTVAPSHISAHSLSSSEIEVSWNTIPWKLSNGHLLGYEVRYWNNGGS----RKVKVAGNQTSAVLRGLKSNLAYYTAVRAYNSAGAGPFSATVNATTK

1uenA

0.34

10.09

0.42

MapAlign

EDLPMVAPGNVRVNVVNSTLAEVHWDPVPLKSIRGHLQGYRIYYWKTQRRHIEKKILTFQGSKTHGMLPGLEPFSHYTLNVRVVNGKGEGPASPDRVFNTP

1uenA

0.34

10.09

0.28

CEthreader

EDLPMVAPGNVRVNVVNSTLAEVHWDPVPLKSIRGHLQGYRIYYWKTQSSSIEKKILTFQGSKTHGMLPGLEPFSHYTLNVRVVNGKGEGPASPDRVFNTP

5e55A

0.51

14.90

1.21

MUSTER

EDEPQLAPRGTSVQSFSASEMEVSWNAIAWNRNTGRVLGYEVLYWTDNSKESMIGKIRVSGNVTTKNITGLRANTIYFASVRAYNTAGTGPSSLPVNVTTK

4bk4A

0.27

0.26

7.91

0.86

HHsearch

NQAAPSSIALVQAKEVTRYSVALAWLEPDR--PNGVILEYEVKYYEKDQNERSYRIVR--TAARNTDIKGLNPLTSYVFHVRARTAAGYGDFSEPLEVTTN

4pbxA3

0.27

8.20

1.99

FFAS-3D

EQAPASAPRNVQARMLSATTMIVQWEEPVEP--NGLIRGYRVYYTMEPEHPVGNWQKHNVDDSLLTTVGSLLEDETYTVRVLAFTSVGDGPLSDPIQVKTQ

7ndgB3

0.29

8.73

0.42

EigenThreader

ELVPTSPPKDVTVVSKKPRTIIVNWQPPSE--ANGKITGYIIYYSTDVAEIHDWVIEPVVGNRLTHQIQELTLDTPYYFKIQARNSKGMGPMSEAVQFRTP

4n5uA

0.30

9.02

1.65

CNFpred

QSTPSAPPQKVMCVSMGSTTVRVSWVPPPADSRNGVITQYSVAYEAVDGDRGRHVVDGISREHSSWDLVGLEKWTEYRVWVRAHTDVGPGPESSPVLVRTD

1x5hA

0.25

7.67

1.50

DEthreader

SDVPSAAPQNLSLEVRNSKSIMIHWQPPAPATQNGQITGYKIRYRKA-SRKSDVTETLVSGTQLSQLIEGLDRGTEYNFRVAALTINGTGPATDWLSAETE

(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	0.9206

(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 AttentionPotential, 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	1uenA	0.93	1.21	0.337	1.000	model1_1uenA.pdb.gz
2	1x5hA	0.91	1.46	0.250	0.990	model1_1x5hA.pdb.gz
3	4n68A	0.90	1.02	0.448	0.951	model1_4n68A.pdb.gz
4	5e4sA2	0.89	1.17	0.474	0.960	model1_5e4sA2.pdb.gz
5	1va9A	0.89	1.53	0.297	1.000	model1_1va9A.pdb.gz
6	5e4qA	0.89	1.68	0.887	0.960	model1_5e4qA.pdb.gz
7	5e55A	0.88	1.95	0.515	1.000	model1_5e55A.pdb.gz
8	4yfeA	0.88	1.70	0.330	0.960	model1_4yfeA.pdb.gz
9	5e7lA2	0.88	1.64	0.485	0.980	model1_5e7lA2.pdb.gz
10	2jllA	0.87	1.35	0.237	0.960	model1_2jllA.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:0004872	0.71	receptor activity
GO:0099600	0.67	transmembrane receptor activity
GO:0004888	0.66	transmembrane signaling receptor activity
GO:0003824	0.57	catalytic 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:0009987	0.90	cellular process
GO:0044699	0.89	single-organism process
GO:0065007	0.84	biological regulation
GO:0050789	0.83	regulation of biological process
GO:0044763	0.83	single-organism cellular process
GO:0050794	0.79	regulation of cellular process
GO:0032502	0.76	developmental process
GO:0044767	0.71	single-organism developmental process
GO:0048856	0.63	anatomical structure development
GO:0006928	0.63	movement of cell or subcellular component
GO:0051239	0.57	regulation of multicellular organismal process
GO:2000026	0.56	regulation of multicellular organismal development
GO:0009653	0.55	anatomical structure morphogenesis
GO:0051128	0.54	regulation of cellular component organization
GO:0007411	0.54	axon guidance
GO:0051960	0.53	regulation of nervous system development
GO:0045595	0.53	regulation of cell differentiation
GO:0048869	0.52	cellular developmental process
GO:0045664	0.52	regulation of neuron differentiation

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	0.98	cell part
GO:0044425	0.76	membrane part
GO:0031224	0.68	intrinsic component of membrane
GO:0016020	0.67	membrane
GO:0044459	0.66	plasma membrane part
GO:0016021	0.64	integral component of membrane
GO:0044424	0.61	intracellular part
GO:0031226	0.58	intrinsic component of plasma membrane
GO:0005887	0.56	integral component of plasma membrane
GO:0097458	0.55	neuron part
GO:0042995	0.50	cell projection
GO:0005886	0.50	plasma membrane

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	0.326	1k85A	0.746	1.87	0.264	0.861	3.2.1.14	7,24,27
2	0.072	2djmA	0.616	2.70	0.099	0.852	3.2.1.3	60
3	0.067	2rq8A	0.551	2.88	0.076	0.782	2.7.11.1	71,94
4	0.067	2hvbB	0.637	3.01	0.108	0.881	1.15.1.2	NA
5	0.067	2eo1A	0.517	3.27	0.096	0.792	2.7.11.1	44

	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	0.04	2b5i7	0.736	2.21	0.220	0.901	0.87	III	complex1.pdb.gz	20,22,39,44,55,57,60,61,62,65,66,67,69,70,75,86
2	0.04	2b5i6	0.795	2.16	0.175	0.960	0.91	III	complex2.pdb.gz	38,39,56,58,59,60,61,62,63,65,66,67,68,69
3	0.04	1pvh0	0.827	1.82	0.173	0.960	0.63	III	complex3.pdb.gz	39,40,41,58,60,81,82,84,89
4	0.04	1tdq0	0.783	1.83	0.140	0.911	0.85	III	complex4.pdb.gz	47,48,54,75,76,78,91,95,96,97,99
5	0.03	3d48R	0.787	1.74	0.128	0.901	0.60	CO3	complex5.pdb.gz	39,40,41,81,83
6	0.03	3dgcR	0.707	2.67	0.138	0.931	0.76	UUU	complex6.pdb.gz	47,48,52,70,72,77

	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.