D-I-TASSER Q96J84

D-I-TASSER results for Q96J84

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

Summary of the Protein

Uniprot ID: Q96J84
Protein Name: Kin of IRRE-like protein 1
Gene Name: KIRREL1

Input Sequence in FASTA format

>Q96J84 (757 residues)
MLSLLVWILTLSDTFSQGTQTRFSQEPADQTVVAGQRAVLPCVLLNYSGIVQWTKDGLAL
GMGQGLKAWPRYRVVGSADAGQYNLEITDAELSDDASYECQATEAALRSRRAKLTVLIPP
EDTRIDGGPVILLQAGTPHNLTCRAFNAKPAATIIWFRDGTQQEGAVASTELLKDGKRET
TVSQLLINPTDLDIGRVFTCRSMNEAIPSGKETSIELDVHHPPTVTLSIEPQTVQEGERV
VFTCQATANPEILGYRWAKGGFLIEDAHESRYETNVDYSFFTEPVSCEVHNKVGSTNVST
LVNVHFAPRIVVDPKPTTTDIGSDVTLTCVWVGNPPLTLTWTKKDSNMVLSNSNQLLLKS
VTQADAGTYTCRAIVPRIGVAEREVPLYVNGPPIISSEAVQYAVRGDGGKVECFIGSTPP
PDRIAWAWKENFLEVGTLERYTVERTNSGSGVLSTLTINNVMEADFQTHYNCTAWNSFGP
GTAIIQLEEREVLPVGIIAGATIGASILLIFFFIALVFFLYRRRKGSRKDVTLRKLDIKV
ETVNREPLTMHSDREDDTASVSTATRVMKAIYSSFKDDVDLKQDLRCDTIDTREEYEMKD
PTNGYYNVRAHEDRPSSRAVLYADYRAPGPARFDGRPSSRLSHSSGYAQLNTYSRGPASD
YGPEPTPPGPAAPAGTDTTSQLSYENYEKFNSHPFPGAAGYPTYRLGYPQAPPSGLERTP
YEAYDPIGKYATATRFSYTSQHSDYGQRFQQRMQTHV

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	Q96J84-D1	1-117	117		MLSLLVWILTLSDTFSQGTQTRFSQEPADQTVVAGQRAVLPCVLLNYSGIVQWTKDGLALGMGQGLKAWPRYRVVGSADAGQYNLEITDAELSDDASYECQATEAALRSRRAKLTVL
2	Q96J84-D2	118-220	103		IPPEDTRIDGGPVILLQAGTPHNLTCRAFNAKPAATIIWFRDGTQQEGAVASTELLKDGKRETTVSQLLINPTDLDIGRVFTCRSMNEAIPSGKETSIELDVH
3	Q96J84-D3	221-306	86		HPPTVTLSIEPQTVQEGERVVFTCQATANPEILGYRWAKGGFLIEDAHESRYETNVDYSFFTEPVSCEVHNKVGSTNVSTLVNVHF
4	Q96J84-D4	307-390	84		APRIVVDPKPTTTDIGSDVTLTCVWVGNPPLTLTWTKKDSNMVLSNSNQLLLKSVTQADAGTYTCRAIVPRIGVAEREVPLYVN
5	Q96J84-D5	391-503	113		GPPIISSEAVQYAVRGDGGKVECFIGSTPPPDRIAWAWKENFLEVGTLERYTVERTNSGSGVLSTLTINNVMEADFQTHYNCTAWNSFGPGTAIIQLEEREVLPVGIIAGATI
6	Q96J84-D6	504-757	254		GASILLIFFFIALVFFLYRRRKGSRKDVTLRKLDIKVETVNREPLTMHSDREDDTASVSTATRVMKAIYSSFKDDVDLKQDLRCDTIDTREEYEMKDPTNGYYNVRAHEDRPSSRAVLYADYRAPGPARFDGRPSSRLSHSSGYAQLNTYSRGPASDYGPEPTPPGPAAPAGTDTTSQLSYENYEKFNSHPFPGAAGYPTYRLGYPQAPPSGLERTPYEAYDPIGKYATATRFSYTSQHSDYGQRFQQRMQTHV

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.56

(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	3b43A	0.42	5.10	0.169	0.511	model1_3b43A.pdb.gz
2	1e07A	0.41	6.69	0.107	0.579	model1_1e07A.pdb.gz
3	4ofyD	0.41	3.69	0.196	0.457	model1_4ofyD.pdb.gz
4	5dzvA	0.40	5.68	0.071	0.519	model1_5dzvA.pdb.gz
5	6e6bA	0.40	5.96	0.054	0.523	model1_6e6bA.pdb.gz
6	5lf5A	0.40	5.41	0.162	0.497	model1_5lf5A.pdb.gz
7	6vg1A	0.40	6.17	0.046	0.528	model1_6vg1A.pdb.gz
8	5t9tA	0.38	6.16	0.052	0.505	model1_5t9tA.pdb.gz
9	6iaaA	0.37	6.14	0.120	0.501	model1_6iaaA.pdb.gz
10	5sznA	0.37	5.96	0.047	0.487	model1_5sznA.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:0042802	0.50	identical protein binding
GO:0004872	0.43	receptor activity
GO:0046983	0.36	protein dimerization activity
GO:0042803	0.34	protein homodimerization 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:0044699	0.92	single-organism process
GO:0009987	0.88	cellular process
GO:0044763	0.84	single-organism cellular process
GO:0065007	0.68	biological regulation
GO:0032502	0.66	developmental process
GO:0050789	0.64	regulation of biological process
GO:0044767	0.62	single-organism developmental process
GO:0050794	0.61	regulation of cellular process
GO:0048856	0.55	anatomical structure development

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	0.96	cell part
GO:0044424	0.67	intracellular part
GO:0044425	0.54	membrane part
GO:0044459	0.49	plasma membrane part
GO:0044444	0.49	cytoplasmic part
GO:0031224	0.47	intrinsic component of membrane
GO:0043226	0.45	organelle
GO:0016021	0.45	integral component of membrane
GO:0016020	0.44	membrane
GO:0043227	0.41	membrane-bounded organelle
GO:0031226	0.40	intrinsic component of plasma membrane
GO:0005887	0.39	integral component of plasma membrane
GO:0030054	0.35	cell junction
GO:0005886	0.33	plasma membrane
GO:0097458	0.30	neuron part

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	3eifA	0.222	6.38	0.043	0.298	3.4.21.110	NA
2	0.060	3b43A	0.417	5.10	0.169	0.511	2.7.11.1	55,94
3	0.060	1llwA	0.190	7.66	0.056	0.285	1.4.7.1	NA
4	0.060	1ry7B	0.206	3.88	0.104	0.236	2.7.10.1	32,34,53,55,93,117
5	0.060	1kitA	0.200	8.15	0.028	0.306	3.2.1.18	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	1pto7	0.060	4.01	0.059	0.069	0.13	III	complex1.pdb.gz	87,88,90,92
2	0.01	2xzgA	0.143	6.57	0.040	0.200	0.18	VH1	complex2.pdb.gz	27,50,52,54
3	0.01	2h3n2	0.120	3.27	0.164	0.132	0.11	III	complex3.pdb.gz	13,14,15,16,17,18
4	0.01	2h3n0	0.124	3.26	0.177	0.136	0.11	III	complex4.pdb.gz	37,39,41
5	0.01	2omy1	0.104	3.07	0.079	0.114	0.29	III	complex5.pdb.gz	23,24,25,26,34,35,42,44,46,84,94
6	0.01	1ncg0	0.098	3.40	0.092	0.108	0.20	III	complex6.pdb.gz	38,39,40,57
7	0.01	2h3n4	0.124	3.26	0.177	0.136	0.23	III	complex7.pdb.gz	17,49,50,51,52,53,54,60
8	0.01	1mq80	0.214	2.74	0.132	0.230	0.28	III	complex8.pdb.gz	23,49,51,53,55
9	0.01	2qkiA	0.161	6.87	0.023	0.226	0.15	III	complex9.pdb.gz	20,21,50,51,52,53

	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.