D-I-TASSER Q6NZ67-D1

D-I-TASSER results for Q6NZ67-D1

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

Input Sequence in FASTA format

>Q6NZ67 (158 residues)
MAAQGVGPGPGSAAPPGLEAARQKLALRRKKVLSTEEMELYELAQAAGGAIDPDVFKILV
DLLKLNVAPLAVFQMLKSMCAGQRLASEPQDPAAVSLPTSSVPETRGRNKGSAALGGALA
LAERSSREGSSQRMPRQPSATRLPKGGGPGKSPTRGST

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAAQGVGPGPGSAAPPGLEAARQKLALRRKKVLSTEEMELYELAQAAGGAIDPDVFKILVDLLKLNVAPLAVFQMLKSMCAGQRLASEPQDPAAVSLPTSSVPETRGRNKGSAALGGALALAERSSREGSSQRMPRQPSATRLPKGGGPGKSPTRGST
Prediction	CCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	98666788999887511456556655677532688899999999995788783699999999982566599999999970145778889998512047899887677777788888876542114675310247789753347788999989988899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAAQGVGPGPGSAAPPGLEAARQKLALRRKKVLSTEEMELYELAQAAGGAIDPDVFKILVDLLKLNVAPLAVFQMLKSMCAGQRLASEPQDPAAVSLPTSSVPETRGRNKGSAALGGALALAERSSREGSSQRMPRQPSATRLPKGGGPGKSPTRGST
Prediction	75565444444454454144434421233451244633402410432434234400400131143413231013103411465534753655444434455444544454544434444434644446344443454344442564635255466678
	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                 140

                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MAAQGVGPGPGSAAPPGLEAARQKLALRRKKVLSTEEMELYELAQAAGGAIDPDVFKILVDLLKLNVAPLAVFQMLKSMCAGQRLASEPQDPAAVSLPTSSVPETRGRNKGSAALGGALALAERSSREGSSQRMPRQPSATRLPKGGGPGKSPTRGST

3c8tA

0.12

4.25

0.61

CEthreader

SGASGTLASLGTRGLDVQRELARELNLGVPSIRDAVAETVQFLALVSGSLGGARIVRNHATSMLDAMLEWSAVPEGFAVASGILYQAEFMLGGLQVFPDRMRENLDHSRGLIVAEAVMMALAPHTGRKEAHDIVYLGCRRAVEDKTGLFEVLRTMPEV

1qdbA

0.10

3.73

0.53

EigenThreader

GVSCADCHMPHQVKENPLDSMDQSCYERKEFLNKVAFDNIGKAHLETGKAIEAKLIRHGQFKADMAIAAAAGSDDAQKARLLLVKILAKHGVMDYIAPDFDTLAKVDIAALAAEKMKFKQTLEQEWKKEAKAKGRANPELYKDVDTINDGKSSWNKK-

6x0vE

0.98

0.28

7.98

0.88

FFAS-3D

----------------------------------TEEMELYELAQAAGGGIDPDVFKILVDLLKLNVAPLAVFQMLKSMC------------------------------------------------------------------------------

5njtD

0.15

5.09

0.87

SPARKS-K

PYAPGP-HGPGQRKKLSEYGLQLQEKQKLRHMYGVNERQFRTLFDKAGKLKHGENFMILNVVYKLGLARRQARQLVNHILVDGSRVDIPSYLVKPGQTIGVREKSRNLSIIKESVEVNNFVPETFDAEKLEGTFTRLPERSELAPEINEALIVEFYSR

6x0vE

0.98

0.28

7.98

0.59

CNFpred

----------------------------------TEEMELYELAQAAGGGIDPDVFKILVDLLKLNVAPLAVFQMLKSMC------------------------------------------------------------------------------

2dqmA

0.08

0.06

2.55

0.83

DEthreader

GLYQSGDALCTQITKIIADKYPFGDFDVVDRGNLDRAPWAMTLKDIYMGLNIFN-SKYVLATDKDYLDIERVIGHEYFHNWTGN-----DWFQLSLKEGLVFQSNRIN-WFVLLDEKIDPLAETLPSVANPAAFHAEDGS------------------

2cwhB

0.08

0.07

2.80

0.87

MapAlign

-------------VSYPQLIDLLRRIFVVHGTSPEVADVLAENCASAQHSHGIFRIPGYLSSLAAQPALAAARSFAALWPNPIAFGAPRAGGEPIVFDLATSAIAHGDVQIAARTQEPRAILDGGALLPFGGHKGSALSMMVELLAAGLTGGNFSFEF

1jvrA

0.19

0.15

4.91

0.68

MUSTER

MGQIGLSPTPIPKAPRGLSTHHWLNFLQAAYRLQQQLRRFLKLALKTPIWLNPIDYSLLASLIPKG-YPGRVVEIINILVKNQVSPSAPAAPVPTPICPTTTPPPP--PPPSPEAHVPPPYVEPTTTQCF----------------------------

6x0vE

0.98

0.28

7.98

4.09

HHsearch

----------------------------------TEEMELYELAQAAGGGIDPDVFKILVDLLKLNVAPLAVFQMLKSMC------------------------------------------------------------------------------

3ugmA2

0.16

5.44

0.56

CEthreader

IITALATHEDIVGVGKQWSGARALEALLTDAPLQLDTGQLVKIAKRGGVTAMEAVHASRNALTPLNLTPAQVVAIASNNGGKQALASHDGGKQALETMQRLLPVLCQAHGAIASNIGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHGGGKQALET

(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	0.4995

(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	5nz7A	0.50	4.74	0.066	0.823	model1_5nz7A.pdb.gz
2	3lhxA	0.50	5.07	0.057	0.867	model1_3lhxA.pdb.gz
3	5k27A	0.50	4.86	0.119	0.842	model1_5k27A.pdb.gz
4	4kf7A	0.50	4.55	0.093	0.835	model1_4kf7A.pdb.gz
5	6ggyA	0.50	4.83	0.070	0.835	model1_6ggyA.pdb.gz
6	3pl2A	0.50	4.67	0.044	0.823	model1_3pl2A.pdb.gz
7	1lshA	0.50	4.79	0.091	0.829	model1_1lshA.pdb.gz
8	1wyeA	0.49	4.64	0.047	0.804	model1_1wyeA.pdb.gz
9	1rk2B	0.49	4.98	0.100	0.835	model1_1rk2B.pdb.gz
10	2i6aA	0.49	4.82	0.107	0.823	model1_2i6aA.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:0003824	0.60	catalytic activity
GO:0016772	0.58	transferase activity, transferring phosphorus-containing groups

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	0.97	cellular process
GO:0016043	0.90	cellular component organization
GO:0044699	0.89	single-organism process
GO:0006996	0.88	organelle organization
GO:0044763	0.87	single-organism cellular process
GO:0022607	0.87	cellular component assembly
GO:1902589	0.86	single-organism organelle organization
GO:0007017	0.86	microtubule-based process
GO:0000226	0.85	microtubule cytoskeleton organization
GO:0060287	0.84	epithelial cilium movement involved in determination of left/right asymmetry
GO:0035082	0.84	axoneme assembly
GO:0008152	0.58	metabolic process
GO:0044237	0.56	cellular metabolic process
GO:0006796	0.52	phosphate-containing compound metabolic 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:0008274	1.00	gamma-tubulin ring complex
GO:0005819	1.00	spindle
GO:0005813	1.00	centrosome

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	0.060	2v78A	0.489	4.67	0.045	0.817	2.7.1.4	50,52
2	0.060	1gaiA	0.469	4.80	0.052	0.778	3.2.1.3	NA
3	0.060	2qllA	0.457	5.01	0.050	0.785	2.4.1.1	NA
4	0.060	1ub0A	0.476	5.05	0.076	0.817	2.7.4.7	107
5	0.060	3cqdB	0.466	5.03	0.108	0.804	2.7.1.11	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:

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
	1	0.03	1rk2B	0.487	4.98	0.100	0.835	0.62	ALF	complex1.pdb.gz	47,49,82,83,84
	2	0.01	1dgmA	0.470	5.06	0.043	0.823	0.59	MG	complex2.pdb.gz	47,48,51

	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.