D-I-TASSER Q5W0U4

D-I-TASSER results for Q5W0U4

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

Summary of the Protein

Uniprot ID: Q5W0U4
Protein Name: B box and SPRY domain-containing protein
Gene Name: BSPRY

Input Sequence in FASTA format

>Q5W0U4 (402 residues)
MSAEGAEPGPGSGSGPGPGPLCPEHGQALSWFCGSERRPVCAACAGLGGRCRGHRIRRAE
ERAEELRNKIVDQCERLQLQSAAITKYVADVLPGKNQRAVSMASAARELVIQRLSLVRSL
CESEEQRLLEQVHGEEERAHQSILTQRVHWAEALQKLDTIRTGLVGMLTHLDDLQLIQKE
QEIFERTEEAEGILDPQESEMLNFNEKCTRSPLLTQLWATAVLGSLSGTEDIRIDERTVS
PFLQLSDDRKTLTFSTKKSKACADGPERFDHWPNALAATSFQNGLHAWMVNVQNSCAYKV
GVASGHLPRKGSGSDCRLGHNAFSWVFSRYDQEFRFSHNGQHEPLGLLRGPAQLGVVLDL
QVQELLFYEPASGTVLCAHHVSFPGPLFPVFAVADQTISIVR

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	Q5W0U4-D1	1-90	90		MSAEGAEPGPGSGSGPGPGPLCPEHGQALSWFCGSERRPVCAACAGLGGRCRGHRIRRAEERAEELRNKIVDQCERLQLQSAAITKYVAD
2	Q5W0U4-D2	91-202	112		VLPGKNQRAVSMASAARELVIQRLSLVRSLCESEEQRLLEQVHGEEERAHQSILTQRVHWAEALQKLDTIRTGLVGMLTHLDDLQLIQKEQEIFERTEEAEGILDPQESEML
3	Q5W0U4-D3	203-402	200		NFNEKCTRSPLLTQLWATAVLGSLSGTEDIRIDERTVSPFLQLSDDRKTLTFSTKKSKACADGPERFDHWPNALAATSFQNGLHAWMVNVQNSCAYKVGVASGHLPRKGSGSDCRLGHNAFSWVFSRYDQEFRFSHNGQHEPLGLLRGPAQLGVVLDLQVQELLFYEPASGTVLCAHHVSFPGPLFPVFAVADQTISIVR

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.47

(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	4cg4A	0.46	2.99	0.149	0.500	model1_4cg4A.pdb.gz
2	6flnA	0.45	1.45	0.149	0.468	model1_6flnA.pdb.gz
3	4b8eA	0.45	1.49	0.236	0.468	model1_4b8eA.pdb.gz
4	6jbmB	0.44	1.11	0.322	0.448	model1_6jbmB.pdb.gz
5	4wvmA	0.44	1.79	0.111	0.455	model1_4wvmA.pdb.gz
6	2wl1A	0.43	1.59	0.250	0.448	model1_2wl1A.pdb.gz
7	4n7iA	0.43	1.78	0.263	0.445	model1_4n7iA.pdb.gz
8	3kb5A	0.42	1.92	0.222	0.448	model1_3kb5A.pdb.gz
9	2fbeC	0.41	1.66	0.230	0.433	model1_2fbeC.pdb.gz
10	2iwgB	0.41	1.32	0.282	0.423	model1_2iwgB.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:0003824	0.64	catalytic activity
GO:0016740	0.63	transferase activity
GO:0004842	0.61	ubiquitin-protein transferase activity
GO:0004872	0.54	receptor activity
GO:0004871	0.54	signal transducer activity
GO:0038023	0.51	signaling receptor activity

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	0.91	biological regulation
GO:0050789	0.91	regulation of biological process
GO:0050794	0.90	regulation of cellular process
GO:0009987	0.85	cellular process
GO:0048518	0.82	positive regulation of biological process
GO:0031323	0.78	regulation of cellular metabolic process
GO:0060255	0.77	regulation of macromolecule metabolic process
GO:0080090	0.76	regulation of primary metabolic process
GO:0048522	0.75	positive regulation of cellular process
GO:0048583	0.71	regulation of response to stimulus
GO:0010468	0.70	regulation of gene expression
GO:0065009	0.69	regulation of molecular function
GO:0043900	0.69	regulation of multi-organism process
GO:0044093	0.68	positive regulation of molecular function
GO:0006355	0.67	regulation of transcription, DNA-templated
GO:0008152	0.66	metabolic process
GO:0071704	0.65	organic substance metabolic process
GO:0051090	0.65	regulation of sequence-specific DNA binding transcription factor activity
GO:0044238	0.65	primary metabolic process
GO:0009966	0.65	regulation of signal transduction
GO:0051091	0.64	positive regulation of sequence-specific DNA binding transcription factor activity
GO:0044237	0.64	cellular metabolic process
GO:0043170	0.64	macromolecule metabolic process
GO:0002376	0.64	immune system process
GO:0048584	0.63	positive regulation of response to stimulus
GO:0044260	0.63	cellular macromolecule metabolic process
GO:0019538	0.61	protein metabolic process
GO:0009967	0.61	positive regulation of signal transduction
GO:0016567	0.60	protein ubiquitination
GO:1902531	0.59	regulation of intracellular signal transduction
GO:0032268	0.59	regulation of cellular protein metabolic process
GO:0002682	0.57	regulation of immune system process
GO:1902533	0.56	positive regulation of intracellular signal transduction
GO:0051092	0.55	positive regulation of NF-kappaB transcription factor activity
GO:0031399	0.55	regulation of protein modification process
GO:0043123	0.53	positive regulation of I-kappaB kinase/NF-kappaB signaling
GO:0000209	0.52	protein polyubiquitination
GO:0080134	0.51	regulation of response to stress
GO:0050776	0.51	regulation of immune response
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:0044464	1.00	cell part
GO:0044424	0.97	intracellular part
GO:0043226	0.79	organelle
GO:0044444	0.76	cytoplasmic part
GO:0043229	0.76	intracellular organelle
GO:0043227	0.59	membrane-bounded organelle
GO:0005737	0.56	cytoplasm
GO:0043231	0.54	intracellular membrane-bounded organelle
GO:0032991	0.50	macromolecular complex

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	2rfwA	0.336	4.64	0.063	0.428	3.2.1.91	NA
2	0.060	3eqlD	0.325	6.85	0.030	0.527	2.7.7.6	NA
3	0.060	1ynnJ	0.169	5.33	0.024	0.234	2.7.7.6	NA
4	0.060	1celA	0.334	4.61	0.047	0.425	3.2.1.91	NA
5	0.060	3iydD	0.345	6.74	0.047	0.552	2.7.7.6	319,354

	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	1n5xA	0.338	6.10	0.033	0.512	0.14	TEI	complex1.pdb.gz	229,356,357,358,366
	2	0.01	2aezA	0.388	4.22	0.023	0.480	0.21	DQR	complex2.pdb.gz	250,355,356

	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.