D-I-TASSER Q9Y575-D3

D-I-TASSER results for Q9Y575-D3

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

Input Sequence in FASTA format

>Q9Y575 (145 residues)
WNHIYEFVNHAIKAQAKYKEWLPHLLVAGFDPLILLCNSWIDSVSIDTLIFTLEFTNWKT
LAPAVERMLSARASNAWILQQHIATVPSLTHLCRLEIRSSLKSERLRSDSYISQLPLPRS
LHNYLLYEDVLRMYEVPELAAIQDG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| WNHIYEFVNHAIKAQAKYKEWLPHLLVAGFDPLILLCNSWIDSVSIDTLIFTLEFTNWKTLAPAVERMLSARASNAWILQQHIATVPSLTHLCRLEIRSSLKSERLRSDSYISQLPLPRSLHNYLLYEDVLRMYEVPELAAIQDG
Prediction	CCHHHHHHHHHHHHHHHHCCCCHHHHHHCCCCHHHHCHHHHHHHCCHHHHHHHHHHCCCCCCHHHHHHHHHHHHCCCCHHHHHCCCCCHHHHHHHHHHHHHCHHHCCCCHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCC
Confidence	9369999999998763212222899995478402202888886142289988886167767848999998621034522565337976889999999998151220452036537998799999999998765136665454679
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| WNHIYEFVNHAIKAQAKYKEWLPHLLVAGFDPLILLCNSWIDSVSIDTLIFTLEFTNWKTLAPAVERMLSARASNAWILQQHIATVPSLTHLCRLEIRSSLKSERLRSDSYISQLPLPRSLHNYLLYEDVLRMYEVPELAAIQDG
Prediction	7631341042015226616502120032323213102441044143400300030243251254045205536754054154246332031001230253044630544410650301620340031441145261453444668
	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

CCHHHHHHHHHHHHHHHHCCCCHHHHHHCCCCHHHHCHHHHHHHCCHHHHHHHHHHCCCCCCHHHHHHHHHHHHCCCCHHHHHCCCCCHHHHHHHHHHHHHCHHHCCCCHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCC
WNHIYEFVNHAIKAQAKYKEWLPHLLVAGFDPLILLCNSWIDSVSIDTLIFTLEFTNWKTLAPAVERMLSARASNAWILQQHIATVPSLTHLCRLEIRSSLKSERLRSDSYISQLPLPRSLHNYLLYEDVLRMYEVPELAAIQDG

6c9kA

0.10

3.59

0.36

CEthreader

EIELGKKLLEAARAG--QDDEVRILMANGADVNATPLHLAAWIGHPEIVEVLLKHGADVNARDTDGWPLHLAADNHLEIVEVLLKYGADVNAQDAYGLTPLHLAADRGHLEIVEVLLKHGADVNAQDKFGKTAFDISIDNGNEDL

1s70B

0.08

3.05

0.62

EigenThreader

AVFLAACSSGLHQACIDDVDMVKFLVENGANINQPDWIPLHAAAYLDIAEYLISQGAHVGAVNTPLDIAEEEAMEELLQNEVNRQGGTALHVAAAKGLIQARYDVNIKDYHAAAHWGKEEACRILAVNKVGQTAFDVALQKKQNL

5cbnA

0.08

2.94

0.64

FFAS-3D

-DEVRILMALHLAAYWGHFEIVEVLLKYGADVNASDATLAAKWGYLGIVEVLLKYGADVNAQDKAFDISIDNGNEDLAEIL-------CKNKAQQAAFYCILHLPNLNEEQRNAFIQSLKSANLLAEAKKLNDAQAPK-------

6w2rA

0.10

3.61

0.76

SPARKS-K

KTAVKLALDVALRVAQEAAKAIDEAAEVVVRIAEESNNSDALEQALRVLEEIAKAVLKSEKAKKAVKLVQEAYKAAQRAIEAAKRTGTAIKLAKLAARAALEVIKPKSEEVNEALKIVKAIQEAVESLREAEESGDPEKREKARE

3zngA

0.23

0.19

5.86

0.95

CNFpred

--HLGTPLYLACENQ--QRACVKKLLESGADVNQGPLHAVARTASEELACLLMDFGADTQAKNRPVELVPPE-SPLAQLFLEREGPPSLMQLCRLRIRKCFGIQQH---HKITKLVLPEDLKQFLLHL-----------------

6jr6A3

0.07

2.79

1.00

DEthreader

NSDQPCYGDSGNGSNVLDGWKQMANQIPVGTCDISGY-CGDIKYMAELYVRWLQFGVLSRAHHAVE--PWKFGTEAENISRKSIELKYKLFPYLYTYAREAHTGLPRALLLEYP----LVGKEL-LVAPVVTKDVYLP--EGEGE

6c9kA

0.08

0.07

2.72

0.63

MapAlign

RVIEIELGKKLLEAARAGDDEVRILMANGADVNATPLHLAAWIGHPEIVEVLLKHADVNARDGWPLHLAADNG--HLEIVEVLLKYHLAADRGLEIVEVLLKHGAVNAKTAFDISNGNEDLAEILQ-------------------

5cwpA2

0.12

0.10

3.39

0.54

MUSTER

SSDVNEALKLIVEAIEAAVRALEAAERTG-DPEVRELARELVRLAVEAAEEVQRNPSSEEVNEALKKIVKAIQEVESLREAEESGDPEKREKARERVREAVEEEVQRDPSGWLE-------------------------------

6sa8A

0.10

0.08

3.10

0.73

HHsearch

DERGHTPLHLAAYTG--HLEIVEVLLKNGAGVNATDVILAAMWGHLEIVEVLLKNGADPKAQDERGHTPLHLAATGHLEILKNTIGTPLHLAAMCEIVEVLLKNGAD-VNAQDKFGKTEDIAEVLQKAA----------------

5cbnA

0.08

3.02

0.33

CEthreader

-SDLGKKLLEAAHAG--QDDEVRILMANGADVNAMPLHLAAYWGHFEIVEVLLKYGADVNASDATGDTPLHLAAKYLGIVEVLLKYGADVNAQDKFGKTAFDISIDNGNEDLAEI-LCKNKAQQAAFYCILHLPNLNEEQRNAFI

(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	0.5904

(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	1l5jA	0.58	4.34	0.096	0.910	model1_1l5jA.pdb.gz
2	7k10A	0.58	4.25	0.168	0.910	model1_7k10A.pdb.gz
3	2xpiA	0.57	4.26	0.081	0.910	model1_2xpiA.pdb.gz
4	6z2wE	0.57	4.57	0.094	0.924	model1_6z2wE.pdb.gz
5	6m5aA2	0.56	4.36	0.029	0.890	model1_6m5aA2.pdb.gz
6	4ufcA	0.56	4.28	0.072	0.883	model1_4ufcA.pdb.gz
7	4ui9X	0.56	4.04	0.063	0.855	model1_4ui9X.pdb.gz
8	2eabA	0.55	4.23	0.076	0.869	model1_2eabA.pdb.gz
9	5mz611	0.55	4.36	0.063	0.890	model1_5mz611.pdb.gz
10	3w5mA	0.54	4.30	0.069	0.876	model1_3w5mA.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:0031625	0.98	ubiquitin protein ligase binding
GO:0004842	0.98	ubiquitin-protein transferase 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:0065007	0.87	biological regulation
GO:0050789	0.87	regulation of biological process
GO:0050794	0.84	regulation of cellular process
GO:0080090	0.74	regulation of primary metabolic process
GO:0060255	0.74	regulation of macromolecule metabolic process
GO:0031323	0.72	regulation of cellular metabolic process
GO:0048583	0.71	regulation of response to stimulus
GO:0051246	0.69	regulation of protein metabolic process
GO:0048519	0.69	negative regulation of biological process
GO:0009966	0.69	regulation of signal transduction
GO:0048523	0.68	negative regulation of cellular process
GO:0007165	0.67	signal transduction
GO:0065009	0.65	regulation of molecular function
GO:0031399	0.65	regulation of protein modification process
GO:0031324	0.65	negative regulation of cellular metabolic process
GO:0010605	0.65	negative regulation of macromolecule metabolic process
GO:0051338	0.64	regulation of transferase activity
GO:0031400	0.64	negative regulation of protein modification process
GO:0051348	0.63	negative regulation of transferase activity
GO:0009968	0.63	negative regulation of signal transduction
GO:1902531	0.60	regulation of intracellular signal transduction
GO:0007166	0.60	cell surface receptor signaling pathway
GO:0001932	0.60	regulation of protein phosphorylation
GO:0046426	0.59	negative regulation of JAK-STAT cascade
GO:0019221	0.59	cytokine-mediated signaling pathway
GO:0006469	0.59	negative regulation of protein kinase activity
GO:0009987	0.52	cellular 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:0005737	1.00	cytoplasm
GO:0005634	1.00	nucleus
GO:0000151	1.00	ubiquitin ligase 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	0.060	1j0mA	0.484	4.88	0.060	0.876	4.2.2.12	NA
2	0.060	3a06A	0.471	4.98	0.045	0.835	1.1.1.267	NA
3	0.060	2eb0B	0.472	5.47	0.050	0.890	3.6.1.1	NA
4	0.060	2x6fA	0.503	5.01	0.081	0.876	2.7.1.137 2.7.1.153 2.7.1.154	NA
5	0.060	2rd0A	0.521	4.62	0.103	0.876	2.7.1.153	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.