D-I-TASSER O94955

D-I-TASSER results for O94955

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

Summary of the Protein

Uniprot ID: O94955
Protein Name: Rho-related BTB domain-containing protein 3
Gene Name: RHOBTB3

Input Sequence in FASTA format

>O94955 (611 residues)
MSIHIVALGNEGDTFHQDNRPSGLIRTYLGRSPLVSGDESSLLLNAASTVARPVFTEYQA
SAFGNVKLVVHDCPVWDIFDSDWYTSRNLIGGADIIVIKYNVNDKFSFHEVKDNYIPVIK
RALNSVPVIIAAVGTRQNEELPCTCPLCTSDRGSCVSTTEGIQLAKELGATYLELHSLDD
FYIGKYFGGVLEYFMIQALNQKTSEKMKKRKMSNSFHGIRPPQLEQPEKMPVLKAEASHY
NSDLNNLLFCCQCVDVVFYNPNLKKVVEAHKIVLCAVSHVFMLLFNVKSPTDIQDSSIIR
TTQDLFAINRDTAFPGASHESSGNPPLRVIVKDALFCSCLSDILRFIYSGAFQWEELEED
IRKKLKDSGDVSNVIEKVKCILKTPGKINCLRNCKTYQARKPLWFYNTSLKFFLNKPMLA
DVVFEIQGTTVPAHRAILVARCEVMAAMFNGNYMEAKSVLIPVYGVSKETFLSFLEYLYT
DSCCPAGIFQAMCLLICAEMYQVSRLQHICELFIITQLQSMPSRELASMNLDIVDLLKKA
KFHHSDCLSTWLLHFIATNYLIFSQKPEFQDLSVEERSFVEKHRWPSNMYLKQLAEYRKY
IHSRKCRCLVM

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 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.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	O94955-D1	1-216	216		MSIHIVALGNEGDTFHQDNRPSGLIRTYLGRSPLVSGDESSLLLNAASTVARPVFTEYQASAFGNVKLVVHDCPVWDIFDSDWYTSRNLIGGADIIVIKYNVNDKFSFHEVKDNYIPVIKRALNSVPVIIAAVGTRQNEELPCTCPLCTSDRGSCVSTTEGIQLAKELGATYLELHSLDDFYIGKYFGGVLEYFMIQALNQKTSEKMKKRKMSNSF
2	O94955-D2	217-235,487-611	144		HGIRPPQLEQPEKMPVLKAGIFQAMCLLICAEMYQVSRLQHICELFIITQLQSMPSRELASMNLDIVDLLKKAKFHHSDCLSTWLLHFIATNYLIFSQKPEFQDLSVEERSFVEKHRWPSNMYLKQLAEYRKYIHSRKCRCLVM
3	O94955-D3	236-486	251		EASHYNSDLNNLLFCCQCVDVVFYNPNLKKVVEAHKIVLCAVSHVFMLLFNVKSPTDIQDSSIIRTTQDLFAINRDTAFPGASHESSGNPPLRVIVKDALFCSCLSDILRFIYSGAFQWEELEEDIRKKLKDSGDVSNVIEKVKCILKTPGKINCLRNCKTYQARKPLWFYNTSLKFFLNKPMLADVVFEIQGTTVPAHRAILVARCEVMAAMFNGNYMEAKSVLIPVYGVSKETFLSFLEYLYTDSCCPA

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.51

(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	7lhtA	0.40	6.92	0.076	0.575	model1_7lhtA.pdb.gz
2	4r04A	0.39	7.97	0.049	0.640	model1_4r04A.pdb.gz
3	6vnoA	0.38	6.19	0.098	0.519	model1_6vnoA.pdb.gz
4	7enjW	0.37	7.35	0.035	0.575	model1_7enjW.pdb.gz
5	7emfX	0.36	7.18	0.050	0.548	model1_7emfX.pdb.gz
6	6ar6A	0.36	8.07	0.039	0.601	model1_6ar6A.pdb.gz
7	4u2nA	0.35	2.28	0.188	0.371	model1_4u2nA.pdb.gz
8	7b54X	0.35	7.43	0.060	0.552	model1_7b54X.pdb.gz
9	4u2mA	0.35	2.24	0.195	0.370	model1_4u2mA.pdb.gz
10	2vz8B	0.34	8.29	0.036	0.584	model1_2vz8B.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	0.88	catalytic activity
GO:0016740	0.81	transferase activity
GO:0004842	0.80	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:0009987	0.90	cellular process
GO:0008152	0.81	metabolic process
GO:0071704	0.80	organic substance metabolic process
GO:0044237	0.80	cellular metabolic process
GO:0044238	0.78	primary metabolic process
GO:0044260	0.77	cellular macromolecule metabolic process
GO:0019538	0.71	protein metabolic process
GO:0006464	0.68	cellular protein modification process
GO:0016567	0.67	protein ubiquitination
GO:0065007	0.60	biological regulation
GO:0050789	0.55	regulation of biological process
GO:0042787	0.53	protein ubiquitination involved in ubiquitin-dependent protein catabolic 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:0044424	1.00	intracellular part
GO:0032991	0.85	macromolecular complex
GO:0043234	0.84	protein complex
GO:0031461	0.83	cullin-RING ubiquitin ligase complex
GO:0031463	0.80	Cul3-RING ubiquitin ligase complex
GO:0043226	0.54	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	0.060	1bf2A	0.280	7.88	0.033	0.457	3.2.1.68	NA
2	0.060	2w68C	0.116	5.74	0.043	0.155	3.2.1.18	99
3	0.060	1ug9A	0.307	7.42	0.043	0.478	3.2.1.70	NA
4	0.060	2pdaA	0.276	7.66	0.035	0.440	1.2.7.1	40
5	0.060	2hg4C	0.289	8.05	0.038	0.479	2.3.1.94	64,87

	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	0.01	3p5rB	0.318	7.23	0.043	0.489	0.19	FGG	complex1.pdb.gz	36,186,187,190,194
2	0.01	2dqsA	0.288	7.89	0.038	0.475	0.13	ACP	complex2.pdb.gz	100,134,135
3	0.01	2eauA	0.312	7.93	0.040	0.509	0.18	CZA	complex3.pdb.gz	35,37,85,86,90
4	0.01	3nanA	0.290	7.91	0.048	0.473	0.14	PTY	complex4.pdb.gz	37,62,64
5	0.01	3p5rA	0.320	7.27	0.059	0.496	0.17	FGG	complex5.pdb.gz	133,157,161,165
6	0.01	3ba6A	0.319	7.97	0.041	0.524	0.11	AN2	complex6.pdb.gz	108,163,164,165
7	0.01	3fgoB	0.276	7.73	0.038	0.437	0.28	CZA	complex7.pdb.gz	33,34,65,89,92,93
8	0.01	3nanA	0.290	7.91	0.048	0.473	0.11	HZ1	complex8.pdb.gz	36,38,42,43,46,50,75
9	0.01	3nalA	0.309	7.99	0.038	0.507	0.17	DBK	complex9.pdb.gz	37,42,43,46,65
10	0.01	2oa0A	0.288	7.73	0.041	0.455	0.16	CZA	complex10.pdb.gz	89,92,93

	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.