D-I-TASSER Q5VZK9-D7

D-I-TASSER results for Q5VZK9-D7

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

Input Sequence in FASTA format

>Q5VZK9 (102 residues)
DEQLKALLESMVDAAENLCPNVMKKAHIRQDLIHASTEKISIPRTFVKNVLLEQSGIDIL
NKISEVKLTVASFLSDRIVDEILDALSHCHHKLADHFSRRGK

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| DEQLKALLESMVDAAENLCPNVMKKAHIRQDLIHASTEKISIPRTFVKNVLLEQSGIDILNKISEVKLTVASFLSDRIVDEILDALSHCHHKLADHFSRRGK
Prediction	CHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
Confidence	568999999999999999489986333689999997526547878999999998657999998999999999999999999999999999999999987439
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| DEQLKALLESMVDAAENLCPNVMKKAHIRQDLIHASTEKISIPRTFVKNVLLEQSGIDILNKISEVKLTVASFLSDRIVDEILDALSHCHHKLADHFSRRGK
Prediction	874245315201510462034216456136403631564241346204511464224413531451423113301430034015303623440354247568
	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

                   |                   |                   |                   |                   |

SS
Seq

CHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
DEQLKALLESMVDAAENLCPNVMKKAHIRQDLIHASTEKISIPRTFVKNVLLEQSGIDILNKISEVKLTVASFLSDRIVDEILDALSHCHHKLADHFSRRGK

6lcpA

0.09

0.08

3.02

1.17

DEthreader

-E---KR-ARIARELNFNVINNLVPISLYISLEIVRTLQAFYSYQPCAAIGQFRFLQRLVLHGRWSYRRLAETISNFFYKNMIWTWSIFWYQCYCNF-----

3ljbA

0.07

2.85

0.59

CEthreader

EEPAVDMLHTVTDMVRLAFTDVSIKNFQEREGEKLIRLHFQMEQVYSMEEIFQHLMAYHQEASKRISSHIPLIIQFFMLQTYGQQLQKAMLQLLQDKDTYSW

3szrA

0.07

2.82

0.68

EigenThreader

VDMLHTVTDMVRLAFTDVSIKNFE---EIEDIRAEQEREGEKLIRLHFQMEQIVASKRISSHIPLIIQFFMQQLQKAMLQTYSWLLDTSDKRKFLKERLARL

6tqpA

0.13

4.44

0.76

FFAS-3D

KKMLSCYENKLLNLIKEDCENIMLKYKPNSYICSLLKVDDTSEENIIKDQIIESLENDNRPSVKLAIISLISMIVEMLIEDIALKISENSEDLINFINIKNK

6xy4A

0.14

4.67

0.73

SPARKS-K

IESLNNNELEILIMIRECCEVIKKDYK--TEFNEICNFILQYDINDVKNIIIETIPSVILASISLLSIIIKKKKDENALNELINKFSSYQKDIISFVEKN--

5xflA

0.13

4.43

0.55

CNFpred

RPSLEERLESIISGAALMADSSCTRDDRRERIVAECNAVRQALQDLLSEYMLNIAIDKMTKKTRDLRRQLRKAVMDHISDSFLET-NVPLLVLIEAAKSGNE

3b8pA

0.11

3.86

1.17

DEthreader

AII-TQ--PDAQVATYTNANVLYGAPKEVANFISRFSSAFSTIE-VSYVS-TAGAQRRLAEYIQQVDEEVAKELEVDLKDNITLQTKTLQESLETQEVVAEQ

3jacA

0.04

2.00

0.97

MapAlign

GGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGFWAFGKHSAATDIASSLSDDQVPQAF-----

5cwmA1

0.20

6.28

0.59

MUSTER

DEDELKRVEKLVKEAEEL-LRQAKEKGSEEDLEKALRTAEEAAREAKKVLEQAEKEPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAEEAARLAK

6bq1A

0.10

3.65

0.38

HHsearch

HKRIRRVADKYLSGLVDKFPHLLWSGTVLKTMLLSLSAYITVPDTYEREDFAARCGMILQEAMKWAPTVTKSHLQEYLNQHYTQAMFKLTAMLISHLCWGPL

(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	0.6661

(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	6tgzF	0.68	3.27	0.060	0.961	model1_6tgzF.pdb.gz
2	3b8pA	0.68	3.50	0.130	0.971	model1_3b8pA.pdb.gz
3	3snhA2	0.67	3.28	0.088	0.931	model1_3snhA2.pdb.gz
4	3b8oA	0.66	3.32	0.042	0.922	model1_3b8oA.pdb.gz
5	6th1R	0.65	3.21	0.100	0.980	model1_6th1R.pdb.gz
6	3szrA2	0.65	3.57	0.060	0.951	model1_3szrA2.pdb.gz
7	4bejA2	0.65	2.85	0.098	0.882	model1_4bejA2.pdb.gz
8	4e29B	0.64	3.78	0.131	0.971	model1_4e29B.pdb.gz
9	4whjA2	0.53	3.27	0.061	0.774	model1_4whjA2.pdb.gz
10	3b8mC1	0.49	4.08	0.075	0.814	model1_3b8mC1.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:0032403	1.00	protein complex binding

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:0048523	1.00	negative regulation of cellular process
GO:0030031	1.00	cell projection assembly
GO:0008152	0.69	metabolic process
GO:0048518	0.68	positive regulation of biological process
GO:0044237	0.68	cellular metabolic process
GO:0006810	0.68	transport
GO:0071704	0.67	organic substance metabolic process
GO:0051128	0.67	regulation of cellular component organization
GO:0044281	0.67	small molecule metabolic process
GO:0065008	0.66	regulation of biological quality
GO:0048522	0.66	positive regulation of cellular process
GO:0046415	0.66	urate metabolic process
GO:0044087	0.66	regulation of cellular component biogenesis
GO:0032956	0.66	regulation of actin cytoskeleton organization
GO:0016192	0.66	vesicle-mediated transport
GO:0051129	0.65	negative regulation of cellular component organization
GO:0030834	0.65	regulation of actin filament depolymerization
GO:0030833	0.65	regulation of actin filament polymerization
GO:0006928	0.65	movement of cell or subcellular component
GO:1902745	0.64	positive regulation of lamellipodium organization
GO:1900026	0.64	positive regulation of substrate adhesion-dependent cell spreading
GO:0044089	0.64	positive regulation of cellular component biogenesis
GO:0032879	0.64	regulation of localization
GO:0016477	0.64	cell migration
GO:0007015	0.64	actin filament organization
GO:0006897	0.64	endocytosis
GO:2000813	0.63	negative regulation of barbed-end actin filament capping
GO:0051639	0.63	actin filament network formation
GO:0051638	0.63	barbed-end actin filament uncapping
GO:0051496	0.63	positive regulation of stress fiber assembly
GO:0044351	0.63	macropinocytosis
GO:0031529	0.63	ruffle organization
GO:0030335	0.63	positive regulation of cell migration
GO:0030032	0.63	lamellipodium assembly

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	0.94	cell part
GO:0016020	0.79	membrane
GO:0005886	0.77	plasma membrane
GO:0044424	0.75	intracellular part
GO:0043226	0.61	organelle
GO:0044444	0.60	cytoplasmic part
GO:0044422	0.57	organelle part
GO:0044446	0.56	intracellular organelle part
GO:0043229	0.55	intracellular organelle
GO:0043227	0.55	membrane-bounded organelle
GO:0044430	0.52	cytoskeletal part
GO:0043234	0.52	protein complex
GO:0044421	0.51	extracellular region part
GO:0070062	0.50	extracellular exosome
GO:0043231	0.50	intracellular membrane-bounded organelle

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	0.066	1vp7B	0.481	2.68	0.041	0.588	3.1.11.6	NA
2	0.060	3ixzA	0.582	3.85	0.051	0.922	3.6.3.10	NA
3	0.060	1flcD	0.561	3.31	0.061	0.774	3.1.1.53	NA
4	0.060	3g61A	0.549	2.85	0.059	0.735	3.6.3.44	NA
5	0.060	1x75B	0.372	4.32	0.069	0.657	5.99.1.3	NA

	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:

No Binding sites was predicted

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues

	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.