D-I-TASSER Q8IXR5

D-I-TASSER results for Q8IXR5

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

Summary of the Protein

Uniprot ID: Q8IXR5
Protein Name: Protein FAM178B
Gene Name: FAM178B

Input Sequence in FASTA format

>Q8IXR5 (679 residues)
MWPRLPGAGLAPQLRRQDQRLHFTGQMSHGLQMAGPQETVLALPLREGVQAAATVPILLY
NLEDGLSDHPLDQGPRCPARRPCSPASAPAPTSPKKPKIQAPGETFPTDWSPPPVEFLNP
RVLQASREAPAQRWVGVVGPQGLRRLAGELPEELEQEHLDLDPKRGLALPEKLFWNTSGL
SQQAAAPEFSWGGSGSYFNNLDYLLQEKREQALEQERERLLLQECLNLNSLDLDEEEVPL
TPEHRMLVEKYSVSLQTIPPVHPGETVFLPRCHPLPCILDSSLLKPRSHLEGLFLSSPPA
QQLSFLRSGLLNILYLHMPDCPVSLLQWLFQLLTWPPETSLGAFGLLWDLIVDGIFLQPD
EDKHLWCPSLQEVREAFHSLGAHSPALYPLGPFWHGGRVLPGEAGLNENEEQDAPQEIAL
DISLGHIYKFLALCAQAQPGAYTDENLMGLIELLCRTSLDVGLRLLPKVDLQQLLLLLLE
NIREWPGKLQELCCTLSWVSDHHHNLLALVQFFPDMTSRSRRLRSQLSLVVIARMLGQQE
MLPLWQEKTQLSSLSRLLGLMRPSSLRQYLDSVPLPPCQEQQPKASAELDHKACYLCHSL
LMLAGVVVSCQDITPDQWGELQLLCMQLDRHISTQIRESPQAMHRTMLKDLATQTYIRWQ
ELLTHCQPQAQYFSPWKDI

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	Q8IXR5-D1	1-270	270		MWPRLPGAGLAPQLRRQDQRLHFTGQMSHGLQMAGPQETVLALPLREGVQAAATVPILLYNLEDGLSDHPLDQGPRCPARRPCSPASAPAPTSPKKPKIQAPGETFPTDWSPPPVEFLNPRVLQASREAPAQRWVGVVGPQGLRRLAGELPEELEQEHLDLDPKRGLALPEKLFWNTSGLSQQAAAPEFSWGGSGSYFNNLDYLLQEKREQALEQERERLLLQECLNLNSLDLDEEEVPLTPEHRMLVEKYSVSLQTIPPVHPGETVFLP
2	Q8IXR5-D2	271-550	280		RCHPLPCILDSSLLKPRSHLEGLFLSSPPAQQLSFLRSGLLNILYLHMPDCPVSLLQWLFQLLTWPPETSLGAFGLLWDLIVDGIFLQPDEDKHLWCPSLQEVREAFHSLGAHSPALYPLGPFWHGGRVLPGEAGLNENEEQDAPQEIALDISLGHIYKFLALCAQAQPGAYTDENLMGLIELLCRTSLDVGLRLLPKVDLQQLLLLLLENIREWPGKLQELCCTLSWVSDHHHNLLALVQFFPDMTSRSRRLRSQLSLVVIARMLGQQEMLPLWQEKTQ
3	Q8IXR5-D3	551-679	129		LSSLSRLLGLMRPSSLRQYLDSVPLPPCQEQQPKASAELDHKACYLCHSLLMLAGVVVSCQDITPDQWGELQLLCMQLDRHISTQIRESPQAMHRTMLKDLATQTYIRWQELLTHCQPQAQYFSPWKDI

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.678

(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	7t5pB	0.54	3.05	0.314	0.585	model1_7t5pB.pdb.gz
2	7wb4A	0.42	6.04	0.079	0.555	model1_7wb4A.pdb.gz
3	7jq9A	0.40	5.57	0.055	0.523	model1_7jq9A.pdb.gz
4	7vf2A	0.39	6.45	0.056	0.539	model1_7vf2A.pdb.gz
5	5y81A	0.38	6.71	0.051	0.529	model1_5y81A.pdb.gz
6	7yxxA	0.38	6.12	0.057	0.507	model1_7yxxA.pdb.gz
7	7t5pA	0.38	4.40	0.091	0.448	model1_7t5pA.pdb.gz
8	7wooE	0.38	6.62	0.061	0.520	model1_7wooE.pdb.gz
9	7naqc	0.37	7.34	0.050	0.561	model1_7naqc.pdb.gz
10	6lk8A	0.37	6.70	0.049	0.523	model1_6lk8A.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:0019899	0.75	enzyme binding
GO:0044877	0.68	macromolecular complex binding
GO:0032403	0.62	protein complex binding
GO:0031625	0.58	ubiquitin protein ligase 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:0009987	0.94	cellular process
GO:0065007	0.86	biological regulation
GO:0050794	0.83	regulation of cellular process
GO:0051179	0.82	localization
GO:0051641	0.77	cellular localization
GO:0008104	0.77	protein localization
GO:0034613	0.75	cellular protein localization
GO:0080090	0.73	regulation of primary metabolic process
GO:0060255	0.73	regulation of macromolecule metabolic process
GO:0031323	0.73	regulation of cellular metabolic process
GO:0048522	0.71	positive regulation of cellular process
GO:0019219	0.69	regulation of nucleobase-containing compound metabolic process
GO:0051128	0.68	regulation of cellular component organization
GO:0048584	0.68	positive regulation of response to stimulus
GO:0051130	0.66	positive regulation of cellular component organization
GO:0050896	0.66	response to stimulus
GO:0044089	0.66	positive regulation of cellular component biogenesis
GO:0033043	0.66	regulation of organelle organization
GO:0031325	0.66	positive regulation of cellular metabolic process
GO:0010604	0.66	positive regulation of macromolecule metabolic process
GO:2000781	0.63	positive regulation of double-strand break repair
GO:1990166	0.63	protein localization to site of double-strand break
GO:0034184	0.63	positive regulation of maintenance of mitotic sister chromatid cohesion
GO:0031334	0.63	positive regulation of protein complex assembly
GO:0006974	0.63	cellular response to DNA damage stimulus
GO:0044699	0.50	single-organism 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:0044446	1.00	intracellular organelle part
GO:0005634	1.00	nucleus
GO:0032991	0.82	macromolecular complex
GO:0044428	0.79	nuclear part
GO:0044427	0.73	chromosomal part
GO:0005737	0.66	cytoplasm
GO:0035861	0.65	site of double-strand break
GO:0000785	0.65	chromatin
GO:0044444	0.61	cytoplasmic part
GO:0044421	0.59	extracellular region part
GO:0016020	0.53	membrane

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	2hpiA	0.273	7.89	0.041	0.433	2.7.7.7	NA
2	0.060	2vz8A	0.290	8.55	0.040	0.484	2.3.1.85	NA
3	0.060	2vz8B	0.297	8.04	0.039	0.474	2.3.1.85	NA
4	0.060	1hn0A	0.282	7.74	0.061	0.434	4.2.2.20	NA
5	0.060	2q1fA	0.292	6.99	0.035	0.426	4.2.2.21	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	1qgk1	0.055	2.26	0.100	0.057	0.58	III	complex1.pdb.gz	208,209,212,213,216,219,220,221

	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.