D-I-TASSER P60323

D-I-TASSER results for P60323

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

Summary of the Protein

Uniprot ID: P60323
Protein Name: Nanos homolog 3
Gene Name: NANOS3

Input Sequence in FASTA format

>P60323 (173 residues)
MGTFDLWTDYLGLAHLVRALSGKEGPETRLSPQPEPEPMLEPDQKRSLESSPAPERLCSF
CKHNGESRAIYQSHVLKDEAGRVLCPILRDYVCPQCGATRERAHTRRFCPLTGQGYTSVY
SHTTRNSAGKKLVRPDKAKTQDTGHRRGGGGGAGFRGAGKSEPSPSCSPSMST

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	P60323-D1	1-173	173		MGTFDLWTDYLGLAHLVRALSGKEGPETRLSPQPEPEPMLEPDQKRSLESSPAPERLCSFCKHNGESRAIYQSHVLKDEAGRVLCPILRDYVCPQCGATRERAHTRRFCPLTGQGYTSVYSHTTRNSAGKKLVRPDKAKTQDTGHRRGGGGGAGFRGAGKSEPSPSCSPSMST

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4515

(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	1kc7A	0.46	5.23	0.060	0.786	model1_1kc7A.pdb.gz
2	1ii2A1	0.44	5.35	0.037	0.769	model1_1ii2A1.pdb.gz
3	6grwA	0.44	4.93	0.067	0.728	model1_6grwA.pdb.gz
4	6k31A	0.43	5.36	0.057	0.757	model1_6k31A.pdb.gz
5	6awb03	0.43	5.55	0.060	0.780	model1_6awb03.pdb.gz
6	6wxrA	0.43	5.41	0.084	0.775	model1_6wxrA.pdb.gz
7	7ckqC1	0.43	5.73	0.060	0.803	model1_7ckqC1.pdb.gz
8	2ewfA1	0.43	5.07	0.081	0.734	model1_2ewfA1.pdb.gz
9	1aylA1	0.43	5.60	0.044	0.757	model1_1aylA1.pdb.gz
10	1xkvB1	0.41	5.81	0.036	0.775	model1_1xkvB1.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:1901363	0.66	heterocyclic compound binding
GO:0097159	0.66	organic cyclic compound binding
GO:0003676	0.61	nucleic acid binding
GO:0003723	0.56	RNA 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:0044699	1.00	single-organism process
GO:0009987	1.00	cellular process
GO:0044767	0.97	single-organism developmental process
GO:0044702	0.89	single organism reproductive process
GO:0044763	0.88	single-organism cellular process
GO:0003006	0.75	developmental process involved in reproduction
GO:0022412	0.74	cellular process involved in reproduction in multicellular organism
GO:0065007	0.73	biological regulation
GO:0048856	0.73	anatomical structure development
GO:0050789	0.72	regulation of biological process
GO:0050794	0.71	regulation of cellular process
GO:0048869	0.70	cellular developmental process
GO:0048468	0.69	cell development
GO:0060255	0.68	regulation of macromolecule metabolic process
GO:0007276	0.68	gamete generation
GO:0080090	0.67	regulation of primary metabolic process
GO:0031323	0.67	regulation of cellular metabolic process
GO:0051171	0.66	regulation of nitrogen compound metabolic process
GO:0031326	0.66	regulation of cellular biosynthetic process
GO:0010556	0.66	regulation of macromolecule biosynthetic process
GO:0010468	0.66	regulation of gene expression
GO:2000112	0.65	regulation of cellular macromolecule biosynthetic process
GO:0051246	0.65	regulation of protein metabolic process
GO:0048523	0.64	negative regulation of cellular process
GO:0032268	0.64	regulation of cellular protein metabolic process
GO:0019219	0.64	regulation of nucleobase-containing compound metabolic process
GO:0010605	0.64	negative regulation of macromolecule metabolic process
GO:0051252	0.63	regulation of RNA metabolic process
GO:0051248	0.63	negative regulation of protein metabolic process
GO:0031327	0.63	negative regulation of cellular biosynthetic process
GO:0010629	0.63	negative regulation of gene expression
GO:0010558	0.63	negative regulation of macromolecule biosynthetic process
GO:0006417	0.63	regulation of translation
GO:0048518	0.62	positive regulation of biological process
GO:0017148	0.62	negative regulation of translation
GO:0048522	0.61	positive regulation of cellular process
GO:0007281	0.61	germ cell development
GO:0045935	0.60	positive regulation of nucleobase-containing compound metabolic process
GO:0010604	0.60	positive regulation of macromolecule metabolic process
GO:0051254	0.59	positive regulation of RNA metabolic process
GO:1900153	0.58	positive regulation of nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay
GO:0007283	0.55	spermatogenesis
GO:0051726	0.51	regulation of cell cycle

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:0044444	0.97	cytoplasmic part
GO:0005737	0.95	cytoplasm
GO:0043226	0.82	organelle
GO:0043229	0.81	intracellular organelle
GO:0048471	0.79	perinuclear region of cytoplasm
GO:0032991	0.73	macromolecular complex
GO:0043232	0.71	intracellular non-membrane-bounded organelle
GO:0030529	0.70	intracellular ribonucleoprotein complex
GO:0036464	0.69	cytoplasmic ribonucleoprotein granule
GO:0043231	0.66	intracellular membrane-bounded organelle
GO:0005634	0.64	nucleus
GO:0000932	0.50	cytoplasmic mRNA processing body

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	1h0hA	0.407	5.39	0.040	0.728	1.2.1.2	NA
2	0.060	1bn8A	0.403	5.51	0.031	0.734	4.2.2.2	NA
3	0.060	5coxA	0.413	5.69	0.048	0.769	1.14.99.1	63
4	0.060	1q16A	0.335	6.13	0.031	0.682	1.7.99.4	93
5	0.060	1w0iA	0.415	5.71	0.025	0.763	2.3.1.41	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:

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	1aylA	0.427	5.60	0.044	0.757	0.12	ATP	complex1.pdb.gz	97,98,111,113
2	0.01	3choA	0.417	5.24	0.052	0.723	0.10	4BG	complex2.pdb.gz	20,21,80
3	0.01	3fukA	0.425	5.20	0.071	0.728	0.10	58Z	complex3.pdb.gz	25,26,27,82
4	0.01	3fu3A	0.423	5.18	0.064	0.723	0.31	92G	complex4.pdb.gz	16,20,23,99
5	0.01	3gwjA	0.431	5.07	0.059	0.728	0.16	UUU	complex5.pdb.gz	67,70,73,74,75
6	0.01	1k3cA	0.384	5.55	0.056	0.711	0.25	PYR	complex6.pdb.gz	58,60,63,64
7	0.01	3fu3A	0.423	5.18	0.064	0.723	0.39	92G	complex7.pdb.gz	17,19,82,84,89,103
8	0.01	3gwjF	0.429	5.03	0.072	0.723	0.15	UUU	complex8.pdb.gz	70,73,98
9	0.01	3b7rL	0.425	5.18	0.071	0.728	0.12	BIR	complex9.pdb.gz	11,12,15,16
10	0.01	3chpA	0.423	5.12	0.038	0.723	0.12	4BO	complex10.pdb.gz	109,112,151,153,154

	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.