D-I-TASSER Q8IYU8

D-I-TASSER results for Q8IYU8

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

Summary of the Protein

Uniprot ID: Q8IYU8
Protein Name: Calcium uptake protein 2, mitochondrial
Gene Name: MICU2

Input Sequence in FASTA format

>Q8IYU8 (434 residues)
MAAAAGSCARVAAWGGKLRRGLAVSRQAVRSPGPLAAAVAGAALAGAGAAWHHSRVSVAA
RDGSFTVSAQKNVEHGIIYIGKPSLRKQRFMQFSSLEHEGEYYMTPRDFLFSVMFEQMER
KTSVKKLTKKDIEDTLSGIQTAGCGSTFFRDLGDKGLISYTEYLFLLTILTKPHSGFHVA
FKMLDTDGNEMIEKREFFKLQKIISKQDDLMTVKTNETGYQEAIVKEPEINTTLQMRFFG
KRGQRKLHYKEFRRFMENLQTEIQEMEFLQFSKGLSFMRKEDFAEWLLFFTNTENKDIYW
KNVREKLSAGESISLDEFKSFCHFTTHLEDFAIAMQMFSLAHRPVRLAEFKRAVKVATGQ
ELSNNILDTVFKIFDLDGDECLSHEEFLGVLKNRMHRGLWVPQHQSIQEYWKCVKKESIK
GVKEVWKQAGKGLF

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	Q8IYU8-D1	1-272	272		MAAAAGSCARVAAWGGKLRRGLAVSRQAVRSPGPLAAAVAGAALAGAGAAWHHSRVSVAARDGSFTVSAQKNVEHGIIYIGKPSLRKQRFMQFSSLEHEGEYYMTPRDFLFSVMFEQMERKTSVKKLTKKDIEDTLSGIQTAGCGSTFFRDLGDKGLISYTEYLFLLTILTKPHSGFHVAFKMLDTDGNEMIEKREFFKLQKIISKQDDLMTVKTNETGYQEAIVKEPEINTTLQMRFFGKRGQRKLHYKEFRRFMENLQTEIQEMEFLQFS
2	Q8IYU8-D2	273-434	162		KGLSFMRKEDFAEWLLFFTNTENKDIYWKNVREKLSAGESISLDEFKSFCHFTTHLEDFAIAMQMFSLAHRPVRLAEFKRAVKVATGQELSNNILDTVFKIFDLDGDECLSHEEFLGVLKNRMHRGLWVPQHQSIQEYWKCVKKESIKGVKEVWKQAGKGLF

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.77

(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	6iihA	0.70	3.81	0.749	0.827	model1_6iihA.pdb.gz
2	6agiA	0.63	2.92	0.458	0.691	model1_6agiA.pdb.gz
3	6aghA	0.61	1.94	0.957	0.647	model1_6aghA.pdb.gz
4	6lb8A	0.56	3.65	0.201	0.643	model1_6lb8A.pdb.gz
5	4nscA	0.54	3.67	0.239	0.631	model1_4nscA.pdb.gz
6	7bwmA	0.42	6.74	0.036	0.668	model1_7bwmA.pdb.gz
7	6rutB1	0.42	6.62	0.061	0.657	model1_6rutB1.pdb.gz
8	5d06A	0.40	7.43	0.046	0.687	model1_5d06A.pdb.gz
9	1t3tA	0.40	7.16	0.048	0.664	model1_1t3tA.pdb.gz
10	5yz0A	0.39	7.43	0.048	0.684	model1_5yz0A.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:0005198	0.58	structural molecule activity
GO:0003735	0.56	structural constituent of ribosome
GO:0043167	0.55	ion binding
GO:0046872	0.54	metal ion binding
GO:0005509	0.52	calcium ion 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	0.79	single-organism process
GO:0065007	0.74	biological regulation
GO:0044763	0.69	single-organism cellular process
GO:0006810	0.66	transport
GO:0006811	0.61	ion transport
GO:0065008	0.60	regulation of biological quality
GO:0055074	0.58	calcium ion homeostasis
GO:0051560	0.55	mitochondrial calcium ion homeostasis
GO:0008152	0.53	metabolic process
GO:0006816	0.53	calcium ion transport
GO:0071704	0.52	organic substance metabolic process
GO:0044237	0.52	cellular metabolic process
GO:0006839	0.52	mitochondrial transport
GO:0044238	0.51	primary metabolic process
GO:0006807	0.51	nitrogen compound metabolic 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:0044444	1.00	cytoplasmic part
GO:0044446	0.88	intracellular organelle part
GO:0044429	0.86	mitochondrial part
GO:0016020	0.85	membrane
GO:0044425	0.83	membrane part
GO:0005743	0.83	mitochondrial inner membrane
GO:0043226	0.82	organelle
GO:0043231	0.81	intracellular membrane-bounded organelle
GO:0005739	0.80	mitochondrion
GO:0032991	0.77	macromolecular complex
GO:1990246	0.76	uniplex complex
GO:0031974	0.75	membrane-enclosed lumen
GO:0005758	0.74	mitochondrial intermembrane space
GO:0070013	0.73	intracellular organelle lumen

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	2cqsA	0.343	7.42	0.060	0.583	2.4.1.20	NA
2	0.060	3ciaA	0.345	7.47	0.039	0.595	3.4.11.-	NA
3	0.060	3i39X	0.347	7.40	0.071	0.597	1.2.99.2	NA
4	0.060	2wj2A	0.354	6.91	0.049	0.571	3.5.1.99	NA
5	0.060	3lxuX	0.364	7.44	0.048	0.634	3.4.14.10	135,157

	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	0.06	1llwA	0.368	7.74	0.047	0.661	0.39	F3S	complex1.pdb.gz	104,155,156,157,158,159
2	0.01	1ofdB	0.331	6.98	0.042	0.551	0.30	F3S	complex2.pdb.gz	157,158,159
3	0.01	1ofeA	0.350	7.00	0.042	0.576	0.16	ONL	complex3.pdb.gz	110,155,156,157,234
4	0.01	1ce8E	0.396	7.29	0.038	0.677	0.14	ADP	complex4.pdb.gz	156,157,158,237
5	0.01	1a9x3	0.377	7.56	0.062	0.659	0.15	III	complex5.pdb.gz	108,111,112,115
6	0.01	1m6vC	0.390	7.10	0.025	0.654	0.14	ADP	complex6.pdb.gz	6,27,34,47,48,49
7	0.01	2cqsA	0.343	7.42	0.060	0.583	0.30	BGC	complex7.pdb.gz	148,152,159
8	0.01	1ce8E	0.396	7.29	0.038	0.677	0.14	IMP	complex8.pdb.gz	94,155,157
9	0.01	1a9x0	0.398	7.29	0.033	0.682	0.19	III	complex9.pdb.gz	155,156,158,162
10	0.01	1bxrE	0.397	7.19	0.042	0.668	0.10	ANP	complex10.pdb.gz	152,153,157,166,167,264,407

	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.