D-I-TASSER Q86XH1

D-I-TASSER results for Q86XH1

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

Summary of the Protein

Uniprot ID: Q86XH1
Protein Name: Dynein regulatory complex protein 11
Gene Name: IQCA1

Input Sequence in FASTA format

>Q86XH1 (822 residues)
MSNAMYNKMWHQTQEALGALLDKEPQKMIEPQRNQVFIFQTLATFYVKYVQIFRNLENVY
DQFVHPQKRILIRKVLDGVMGRILELKNEMVELELTEFHYFDDILQDLKLAPQQLDIPIP
KYFLKEKLEVIKGREKILAQILADSGIDTSDMKYPVKSIPFDEAVKLIQIAERARQGRLR
ALFMKQIYLQEYRAKQSKMLGKKVTDTWAAALRIQKVWRRFHQRKETEKLREEEMIFLGM
NPPPLFNEVSATVIQAEKVDRLRNEVQIKHEEDYREALVTIKNDLKLIEGVDIKENLQDQ
IRHWFIECRNLTGTFPDYPDVEEGGSAIIFSDKTIQQVIEDIIANQEEEEKNKKKKKKKE
KQPKKAKKQKKGTKEKNKEEDEKWKMSPSLFLPAMKEGCNAYKEIWMKKDESWNFSQDYD
PELIKEEKRKELQSEIRIQVDELMRQELKNLKLAVDRERERPVKAGKKKDKKGKKGKKKE
KKAKKDKDLTADRTIESLYKELVEEGLLIQALKVNLSDYIGEYSYLGTTLRQVSIEPMPS
LLDVRQLITLYGIWPLGSAAVHEKAPLVKSLLLAGPSGVGKKMLVHAICTETGANLFNLS
SSNIAGKYPGKNGLQMMLHAVFKVARQLQPSVVWIEDTEKTFYKKVPNAEKMNEPKRLKK
HLPQILKLLKPDDRILIVGTTRRPFDAELQSFCKVYQKIILVPRPDYASRYVLWKQIIER
NGGVLTSALNVSCLAKVTDGFTQGHIVEVVKGVLTDQRIRRQIHKPLTAVEFITAITSMN
PVYKEEEESFKNWYAKTPLGKKRALAITGGSTEKAKDKGKRK

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	Q86XH1-D1	1-95,245-485	336		MSNAMYNKMWHQTQEALGALLDKEPQKMIEPQRNQVFIFQTLATFYVKYVQIFRNLENVYDQFVHPQKRILIRKVLDGVMGRILELKNEMVELELLFNEVSATVIQAEKVDRLRNEVQIKHEEDYREALVTIKNDLKLIEGVDIKENLQDQIRHWFIECRNLTGTFPDYPDVEEGGSAIIFSDKTIQQVIEDIIANQEEEEKNKKKKKKKEKQPKKAKKQKKGTKEKNKEEDEKWKMSPSLFLPAMKEGCNAYKEIWMKKDESWNFSQDYDPELIKEEKRKELQSEIRIQVDELMRQELKNLKLAVDRERERPVKAGKKKDKKGKKGKKKEKKAKK
2	Q86XH1-D2	96-244,486-822	486		TEFHYFDDILQDLKLAPQQLDIPIPKYFLKEKLEVIKGREKILAQILADSGIDTSDMKYPVKSIPFDEAVKLIQIAERARQGRLRALFMKQIYLQEYRAKQSKMLGKKVTDTWAAALRIQKVWRRFHQRKETEKLREEEMIFLGMNPPPDKDLTADRTIESLYKELVEEGLLIQALKVNLSDYIGEYSYLGTTLRQVSIEPMPSLLDVRQLITLYGIWPLGSAAVHEKAPLVKSLLLAGPSGVGKKMLVHAICTETGANLFNLSSSNIAGKYPGKNGLQMMLHAVFKVARQLQPSVVWIEDTEKTFYKKVPNAEKMNEPKRLKKHLPQILKLLKPDDRILIVGTTRRPFDAELQSFCKVYQKIILVPRPDYASRYVLWKQIIERNGGVLTSALNVSCLAKVTDGFTQGHIVEVVKGVLTDQRIRRQIHKPLTAVEFITAITSMNPVYKEEEESFKNWYAKTPLGKKRALAITGGSTEKAKDKGKRK

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.44

(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	3cf1B	0.42	5.46	0.099	0.511	model1_3cf1B.pdb.gz
2	5e7pA	0.42	5.64	0.107	0.513	model1_5e7pA.pdb.gz
3	5g4fA	0.41	5.61	0.103	0.505	model1_5g4fA.pdb.gz
4	7nkuA	0.38	4.71	0.098	0.440	model1_7nkuA.pdb.gz
5	6vr4A	0.36	8.85	0.026	0.588	model1_6vr4A.pdb.gz
6	6jpuA	0.35	5.97	0.082	0.450	model1_6jpuA.pdb.gz
7	6mdmB	0.35	5.29	0.100	0.423	model1_6mdmB.pdb.gz
8	6matA	0.35	4.98	0.107	0.410	model1_6matA.pdb.gz
9	5l4gH	0.34	4.17	0.132	0.392	model1_5l4gH.pdb.gz
10	5mpbI	0.34	4.79	0.127	0.404	model1_5mpbI.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:0016787	0.99	hydrolase activity
GO:0017111	0.98	nucleoside-triphosphatase activity
GO:0016887	0.97	ATPase activity
GO:0042623	0.88	ATPase activity, coupled
GO:1901363	0.55	heterocyclic compound binding
GO:0097159	0.55	organic cyclic compound 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	0.97	cellular process
GO:0044699	0.81	single-organism process
GO:0008152	0.81	metabolic process
GO:0071704	0.80	organic substance metabolic process
GO:0044238	0.79	primary metabolic process
GO:0044763	0.78	single-organism cellular process
GO:0043170	0.78	macromolecule metabolic process
GO:0019538	0.76	protein metabolic process
GO:0071840	0.70	cellular component organization or biogenesis
GO:0065007	0.70	biological regulation
GO:0016043	0.69	cellular component organization
GO:0050789	0.67	regulation of biological process
GO:0050794	0.66	regulation of cellular process
GO:0044237	0.66	cellular metabolic process
GO:0009057	0.65	macromolecule catabolic process
GO:0006508	0.65	proteolysis
GO:0030163	0.64	protein catabolic process
GO:0044260	0.63	cellular macromolecule metabolic process
GO:0019222	0.60	regulation of metabolic process
GO:0031323	0.59	regulation of cellular metabolic process
GO:0080090	0.57	regulation of primary metabolic process
GO:0060255	0.57	regulation of macromolecule metabolic process
GO:0019219	0.55	regulation of nucleobase-containing compound metabolic process
GO:0048518	0.54	positive regulation of biological process
GO:0048522	0.53	positive regulation of cellular process
GO:0044248	0.53	cellular catabolic process
GO:0051603	0.52	proteolysis involved in cellular protein catabolic process
GO:0031326	0.52	regulation of cellular biosynthetic process
GO:0009893	0.52	positive regulation of metabolic process
GO:0006996	0.52	organelle organization
GO:0051128	0.51	regulation of cellular component organization
GO:0045935	0.51	positive regulation of nucleobase-containing compound metabolic process
GO:0031328	0.51	positive regulation of cellular biosynthetic process
GO:0010604	0.51	positive regulation of macromolecule metabolic process
GO:0050896	0.50	response to stimulus

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:0043229	0.88	intracellular organelle
GO:0044444	0.86	cytoplasmic part
GO:0043231	0.86	intracellular membrane-bounded organelle
GO:0044446	0.84	intracellular organelle part
GO:0005634	0.80	nucleus
GO:0005737	0.71	cytoplasm
GO:0032991	0.68	macromolecular complex
GO:0044428	0.67	nuclear part
GO:0043234	0.67	protein complex
GO:0000502	0.58	proteasome complex
GO:0031597	0.51	cytosolic proteasome complex
GO:0031595	0.51	nuclear proteasome complex
GO:0008540	0.50	proteasome regulatory particle, base subcomplex

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	3cmmC	0.278	9.17	0.061	0.467	6.3.2.19	579,581
2	0.060	3b9jC	0.217	9.01	0.037	0.359	1.17.3.2 1.17.1.4	NA
3	0.060	1yq2A	0.278	8.59	0.047	0.447	3.2.1.23	NA
4	0.060	1ahpA	0.277	8.16	0.055	0.420	2.4.1.1	NA
5	0.060	3cf4A	0.280	8.35	0.055	0.438	1.2.99.2	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	0.13	2qpaA	0.300	2.71	0.218	0.319	0.98	ADP	complex1.pdb.gz	580,581,582,636,682,713,743,744

	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.