D-I-TASSER Q6P1J9

D-I-TASSER results for Q6P1J9

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

Summary of the Protein

Uniprot ID: Q6P1J9
Protein Name: Parafibromin
Gene Name: CDC73

Input Sequence in FASTA format

>Q6P1J9 (531 residues)
MADVLSVLRQYNIQKKEIVVKGDEVIFGEFSWPKNVKTNYVVWGTGKEGQPREYYTLDSI
LFLLNNVHLSHPVYVRRAATENIPVVRRPDRKDLLGYLNGEASTSASIDRSAPLEIGLQR
STQVKRAADEVLAEAKKPRIEDEECVRLDKERLAARLEGHKEGIVQTEQIRSLSEAMSVE
KIAAIKAKIMAKKRSTIKTDLDDDITALKQRSFVDAEVDVTRDIVSRERVWRTRTTILQS
TGKNFSKNIFAILQSVKAREEGRAPEQRPAPNAAPVDPTLRTKQPIPAAYNRYDQERFKG
KEETEGFKIDTMGTYHGMTLKSVTEGASARKTQTPAAQPVPRPVSQARPPPNQKKGSRTP
IIIIPAATTSLITMLNAKDLLQDLKFVPSDEKKKQGCQRENETLIQRRKDQMQPGGTAIS
VTVPYRVVDQPLKLMPQDWDRVVAVFVQGPAWQFKGWPWLLPDGSPVDIFAKIKAFHLKY
DEVRLDPNVQKWDVTVLELSYHKRHLDRPVFLRFWETLDRYMVKHKSHLRF

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	Q6P1J9-D1	1-343	343		MADVLSVLRQYNIQKKEIVVKGDEVIFGEFSWPKNVKTNYVVWGTGKEGQPREYYTLDSILFLLNNVHLSHPVYVRRAATENIPVVRRPDRKDLLGYLNGEASTSASIDRSAPLEIGLQRSTQVKRAADEVLAEAKKPRIEDEECVRLDKERLAARLEGHKEGIVQTEQIRSLSEAMSVEKIAAIKAKIMAKKRSTIKTDLDDDITALKQRSFVDAEVDVTRDIVSRERVWRTRTTILQSTGKNFSKNIFAILQSVKAREEGRAPEQRPAPNAAPVDPTLRTKQPIPAAYNRYDQERFKGKEETEGFKIDTMGTYHGMTLKSVTEGASARKTQTPAAQPVPRP
2	Q6P1J9-D2	344-531	188		VSQARPPPNQKKGSRTPIIIIPAATTSLITMLNAKDLLQDLKFVPSDEKKKQGCQRENETLIQRRKDQMQPGGTAISVTVPYRVVDQPLKLMPQDWDRVVAVFVQGPAWQFKGWPWLLPDGSPVDIFAKIKAFHLKYDEVRLDPNVQKWDVTVLELSYHKRHLDRPVFLRFWETLDRYMVKHKSHLRF

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.5

(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	7lkpA	0.33	7.99	0.024	0.578	model1_7lkpA.pdb.gz
2	6l7eA	0.29	8.25	0.031	0.514	model1_6l7eA.pdb.gz
3	3p8cA	0.29	7.35	0.030	0.460	model1_3p8cA.pdb.gz
4	1llwA	0.29	7.18	0.025	0.450	model1_1llwA.pdb.gz
5	3v46A	0.28	1.58	0.296	0.290	model1_3v46A.pdb.gz
6	5hb4B	0.28	6.65	0.028	0.412	model1_5hb4B.pdb.gz
7	6cgrE	0.28	7.84	0.043	0.471	model1_6cgrE.pdb.gz
8	7d3eA	0.28	7.52	0.026	0.450	model1_7d3eA.pdb.gz
9	2pffB	0.28	7.57	0.022	0.458	model1_2pffB.pdb.gz
10	6g2dC	0.28	7.96	0.046	0.469	model1_6g2dC.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:0044877	0.80	macromolecular complex binding
GO:0019899	0.79	enzyme binding
GO:0000993	0.78	RNA polymerase II core 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:0065007	0.99	biological regulation
GO:0050789	0.99	regulation of biological process
GO:0006355	0.97	regulation of transcription, DNA-templated
GO:0009987	0.92	cellular process
GO:0044699	0.91	single-organism process
GO:0006357	0.89	regulation of transcription from RNA polymerase II promoter
GO:0034243	0.83	regulation of transcription elongation from RNA polymerase II promoter
GO:0044763	0.81	single-organism cellular process
GO:0048869	0.79	cellular developmental process
GO:0032502	0.78	developmental process
GO:0044767	0.76	single-organism developmental process
GO:0071704	0.73	organic substance metabolic process
GO:0044238	0.73	primary metabolic process
GO:0048518	0.72	positive regulation of biological process
GO:0044237	0.72	cellular metabolic process
GO:0044260	0.71	cellular macromolecule metabolic process
GO:0048522	0.70	positive regulation of cellular process
GO:0051173	0.69	positive regulation of nitrogen compound metabolic process
GO:0031328	0.69	positive regulation of cellular biosynthetic process
GO:0010604	0.69	positive regulation of macromolecule metabolic process
GO:0045893	0.68	positive regulation of transcription, DNA-templated
GO:0034641	0.68	cellular nitrogen compound metabolic process
GO:0006139	0.67	nucleobase-containing compound metabolic process
GO:0016070	0.66	RNA metabolic process
GO:0048583	0.65	regulation of response to stimulus
GO:0048519	0.64	negative regulation of biological process
GO:0048523	0.63	negative regulation of cellular process
GO:0009967	0.63	positive regulation of signal transduction
GO:0045934	0.62	negative regulation of nucleobase-containing compound metabolic process
GO:0010605	0.62	negative regulation of macromolecule metabolic process
GO:0045944	0.60	positive regulation of transcription from RNA polymerase II promoter
GO:0000122	0.60	negative regulation of transcription from RNA polymerase II promoter
GO:0032968	0.59	positive regulation of transcription elongation from RNA polymerase II promoter
GO:0006396	0.58	RNA processing
GO:2000026	0.57	regulation of multicellular organismal development
GO:0006397	0.57	mRNA processing
GO:0032501	0.56	multicellular organismal process
GO:0031124	0.56	mRNA 3'-end processing
GO:0044707	0.55	single-multicellular organism process
GO:0010948	0.55	negative regulation of cell cycle process
GO:2000134	0.54	negative regulation of G1/S transition of mitotic cell cycle
GO:0045638	0.54	negative regulation of myeloid cell differentiation
GO:0031442	0.54	positive regulation of mRNA 3'-end processing
GO:0030177	0.54	positive regulation of Wnt signaling pathway
GO:0019827	0.54	stem cell population maintenance
GO:0008285	0.54	negative regulation of cell proliferation
GO:0006378	0.54	mRNA polyadenylation
GO:0001711	0.54	endodermal cell fate commitment

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:0016593	0.99	Cdc73/Paf1 complex
GO:0005634	0.98	nucleus

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	3bfkB	0.233	3.82	0.111	0.271	3.6.5.2	NA
2	0.060	3b9jC	0.183	7.89	0.019	0.303	1.17.3.2 1.17.1.4	NA
3	0.060	2vumA	0.194	7.26	0.051	0.305	2.7.7.6	NA
4	0.060	2dqmA	0.245	6.77	0.028	0.367	3.4.11.2	NA
5	0.060	1aa9A	0.219	4.08	0.086	0.264	3.6.5.-	210

	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	2dqmA	0.245	6.77	0.028	0.367	0.15	BES	complex1.pdb.gz	364,365,366,456
2	0.01	1ofdA	0.286	7.17	0.038	0.450	0.12	FMN	complex2.pdb.gz	363,364,373
3	0.01	1efu2	0.216	3.80	0.082	0.252	0.16	III	complex3.pdb.gz	363,365,366,450,453,456,457,489,492
4	0.01	2fx3A	0.229	4.15	0.112	0.273	0.17	GDP	complex4.pdb.gz	365,366,367,453,455,456
5	0.01	1llzA	0.264	7.71	0.025	0.448	0.13	FMN	complex5.pdb.gz	365,448,453,456
6	0.01	1llwA	0.286	7.18	0.025	0.450	0.13	FMN	complex6.pdb.gz	364,448,453,456
7	0.01	2uvcG	0.268	8.09	0.028	0.467	0.10	FMN	complex7.pdb.gz	448,449,456

	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.