D-I-TASSER Q8N888

D-I-TASSER results for Q8N888

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

Summary of the Protein

Uniprot ID: Q8N888
Protein Name: Putative BCoR-like protein 2
Gene Name: BCORP1

Input Sequence in FASTA format

>Q8N888 (145 residues)
MKEKLSKKRAEVKGNRSWLEEFLKPSDNEEGPPPKNKVLSNNASSQKPTHSSCIPLLRLP
DKQQKVNESIKTDMLCTDKEEECPAASLLQKYTNNSEKPSGKRQCKTKHLISQDLRQGFL
LTGKCYVENADGKIPLGTCFLLGLI

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (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.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	Q8N888-D1	1-145	145		MKEKLSKKRAEVKGNRSWLEEFLKPSDNEEGPPPKNKVLSNNASSQKPTHSSCIPLLRLPDKQQKVNESIKTDMLCTDKEEECPAASLLQKYTNNSEKPSGKRQCKTKHLISQDLRQGFLLTGKCYVENADGKIPLGTCFLLGLI

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4532

(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	4czwA	0.48	4.78	0.045	0.835	model1_4czwA.pdb.gz
2	4q8hA	0.48	4.88	0.045	0.841	model1_4q8hA.pdb.gz
3	6r5kA	0.48	4.87	0.050	0.855	model1_6r5kA.pdb.gz
4	4po6A	0.47	4.86	0.050	0.779	model1_4po6A.pdb.gz
5	7a23M	0.46	4.53	0.069	0.745	model1_7a23M.pdb.gz
6	6i0dN	0.46	4.10	0.073	0.697	model1_6i0dN.pdb.gz
7	4he8L	0.46	4.04	0.055	0.690	model1_4he8L.pdb.gz
8	6y795	0.45	4.11	0.064	0.697	model1_6y795.pdb.gz
9	6tjvF	0.45	4.03	0.055	0.690	model1_6tjvF.pdb.gz
10	6lcpA	0.45	4.57	0.058	0.752	model1_6lcpA.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	0.82	transferase activity
GO:0003676	0.82	nucleic acid binding
GO:0044212	0.81	transcription regulatory region DNA binding
GO:0042826	0.81	histone deacetylase binding
GO:0031072	0.81	heat shock protein binding
GO:0008134	0.81	transcription factor binding
GO:0004842	0.81	ubiquitin-protein transferase activity
GO:0003714	0.81	transcription corepressor 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	1.00	biological regulation
GO:0044699	1.00	single-organism process
GO:0048523	0.97	negative regulation of cellular process
GO:0048513	0.97	animal organ development
GO:0044767	0.97	single-organism developmental process
GO:0009653	0.97	anatomical structure morphogenesis
GO:0009987	0.63	cellular process
GO:0006464	0.59	cellular protein modification process
GO:2000026	0.58	regulation of multicellular organismal development
GO:0022603	0.58	regulation of anatomical structure morphogenesis
GO:0070171	0.57	negative regulation of tooth mineralization
GO:0065001	0.57	specification of axis polarity
GO:0060021	0.57	palate development
GO:0051572	0.57	negative regulation of histone H3-K4 methylation
GO:0042476	0.57	odontogenesis
GO:0035518	0.57	histone H2A monoubiquitination
GO:0030502	0.57	negative regulation of bone mineralization
GO:0007507	0.57	heart development
GO:0000415	0.57	negative regulation of histone H3-K36 methylation
GO:0000122	0.57	negative regulation of transcription from RNA polymerase II promoter

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:0044424	0.97	intracellular part
GO:0044444	0.93	cytoplasmic part
GO:0043229	0.93	intracellular organelle
GO:0005634	0.91	nucleus
GO:0005739	0.88	mitochondrion
GO:0044428	0.62	nuclear part
GO:0043234	0.54	protein complex
GO:0031519	0.51	PcG protein 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	1rzuB	0.427	4.59	0.039	0.683	2.4.1.21	10
2	0.060	1jqkF	0.386	5.25	0.016	0.738	1.2.99.2	120
3	0.060	2v45A	0.416	5.62	0.024	0.821	1.7.99.4	NA
4	0.060	2vjyA	0.414	5.34	0.048	0.772	4.1.1.1	NA
5	0.060	2pplA	0.409	4.98	0.074	0.717	3.1.1.3	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:

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	0.01	1su6A	0.422	4.99	0.022	0.759	0.42	SF4	complex1.pdb.gz	117,118,122,123,137,138,139

	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.