D-I-TASSER Q6ZRR7

D-I-TASSER results for Q6ZRR7

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

Summary of the Protein

Uniprot ID: Q6ZRR7
Protein Name: Leucine-rich repeat-containing protein 9
Gene Name: LRRC9

Input Sequence in FASTA format

>Q6ZRR7 (1453 residues)
MIESENLNQEEIIKELCLCNGLSYEMVGQEGSDTSKLEMFFLGYPRIVGLSLFPNLTSLT
IVAQDIKEISGLEPCLQLKELWIAECCIEKIEGLQECRNLEKLYLYFNKISKIENLEKLI
KLKVLWLNHNTIKNIEGLQTLKNLKDLNLAGNLINSIGRCLDSNEQLERLNLSGNQICSF
KELTNLTRLPCLKDLCLNDPQYTTNPVCLLCNYSTHVLYHLPCLQRFDTLDVSAKQIKEL
ADTTAMKKIMYYNMRIKTLQRHLKEDLEKLNDQKCKLQKLPEERVKLFSFVKKTLERELA
ELKGSGKGHSDGSNNSKVTDPETLKSCETVTEEPSLQQKILAKLNALNERVTFWNKKLDE
IEAIYHIEVKQKKKSHGLLIPLLLIELETVGNFHFEEGTRSDDWFNFCYELILSRFCAWD
FRTYGITGVKVKRIIKVNNRILRLKFEEKFQKFLENEDMHDSESYRRMLECLFYVFDPEV
SVKKKHLLQILEKGFKDSETSKLPLKKEAIIVSNSLSISECPRIEFLQQKHKDEKKISLK
HELFRHGILLITKVFLGQSVQAHEKESISQSNYPMVNSVFIPRKYLLNSVMGQRNCDCSV
RQCKWFVFDHDLVLPEYVVEFEYITMVKAPSLFSVFNNVILEESKKNPEVSVFSKDLKFD
DEVIKMEPRIKARPKLISLDDKTILSLAKTSVYSHIVSLNLHGNSLSKLRDLSKLTGLRK
LNISFNEFTCLDDVYHLYNLEYLDASHNHVITLEGFRGLMKLKHLDLSWNQLKKSGNEIN
MLCKHTTSLLTLDIQHNPWQKPATLRLSVIGRLKTLTHLNGVFISEEEATAAMKFIAGTR
ITQLSLLRHSSTKEERPRILSIWPSAKILTQVSKLGPHLHLSGNCYLKITALNLDGQHLF
EITNLEKLENLKWASFSNNNLTKMEGLESCINLEELTLDGNCISKIEGISKMTKLTRLSI
NNNLLTGWEEHTFDNMLHLHSLSLENNRITSLSGLQKSFTLVELYISNNYIAVNQEMHNL
KGLCNLVILDMCGNIIIWNQENYRLFVIFHLPELKALDGIPIEPSETDSAKDLFGGRLTS
DMIAERQGHSNFKQMQELNWTSSSIRTVDLIPVDQFRNVCNVNLQNNHLTSFSGLIYLPN
VKVLCLNYNHIESIMPRLKPQTHLTSRQLLYQKVPSSGYGQQGISKTNRDIMSSENLPPI
MHSLEVLHLGYNGICNLIQLQLNRLRNLKFLFLQGNEISQVEGLDNLVVLQELVVDHNRI
RSFNDSAFAKPSSLLALHLEENRLRELGKLQSLVKLEKLFLGYNKIQDITELEKLDVIST
LRELTVYGNPICRKMLHRHMLIFRLPNLQMLDGSPVNSDDRAKAEFHLAELQAKKNSLIP
VTHSPMDGRSFGQVKTPPIEITNVLLPSGFSHYLGSDVTLTPEVEEFLGATFQDQIECNC
LKRNEHTPRNSPV

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	Q6ZRR7-D1	1-32,692-843	184		MIESENLNQEEIIKELCLCNGLSYEMVGQEGSVYSHIVSLNLHGNSLSKLRDLSKLTGLRKLNISFNEFTCLDDVYHLYNLEYLDASHNHVITLEGFRGLMKLKHLDLSWNQLKKSGNEINMLCKHTTSLLTLDIQHNPWQKPATLRLSVIGRLKTLTHLNGVFISEEEATAAMKFIAGTRITQ
2	Q6ZRR7-D2	33-252,375-464,654-691	348		DTSKLEMFFLGYPRIVGLSLFPNLTSLTIVAQDIKEISGLEPCLQLKELWIAECCIEKIEGLQECRNLEKLYLYFNKISKIENLEKLIKLKVLWLNHNTIKNIEGLQTLKNLKDLNLAGNLINSIGRCLDSNEQLERLNLSGNQICSFKELTNLTRLPCLKDLCLNDPQYTTNPVCLLCNYSTHVLYHLPCLQRFDTLDVSAKQIKELADTTAMKKIMYYSHGLLIPLLLIELETVGNFHFEEGTRSDDWFNFCYELILSRFCAWDFRTYGITGVKVKRIIKVNNRILRLKFEEKFQKFLENEDMHDSESSKDLKFDDEVIKMEPRIKARPKLISLDDKTILSLAKTS
3	Q6ZRR7-D3	253-374,573-594,634-653	164		NMRIKTLQRHLKEDLEKLNDQKCKLQKLPEERVKLFSFVKKTLERELAELKGSGKGHSDGSNNSKVTDPETLKSCETVTEEPSLQQKILAKLNALNERVTFWNKKLDEIEAIYHIEVKQKKKYPMVNSVFIPRKYLLNSVMGQRSVFNNVILEESKKNPEVSVF
4	Q6ZRR7-D4	465-572	108		YRRMLECLFYVFDPEVSVKKKHLLQILEKGFKDSETSKLPLKKEAIIVSNSLSISECPRIEFLQQKHKDEKKISLKHELFRHGILLITKVFLGQSVQAHEKESISQSN
5	Q6ZRR7-D5	595-633	39		NCDCSVRQCKWFVFDHDLVLPEYVVEFEYITMVKAPSLF
6	Q6ZRR7-D6	844-955	112		LSLLRHSSTKEERPRILSIWPSAKILTQVSKLGPHLHLSGNCYLKITALNLDGQHLFEITNLEKLENLKWASFSNNNLTKMEGLESCINLEELTLDGNCISKIEGISKMTKL
7	Q6ZRR7-D7	956-1030	75		TRLSINNNLLTGWEEHTFDNMLHLHSLSLENNRITSLSGLQKSFTLVELYISNNYIAVNQEMHNLKGLCNLVILD
8	Q6ZRR7-D8	1031-1112	82		MCGNIIIWNQENYRLFVIFHLPELKALDGIPIEPSETDSAKDLFGGRLTSDMIAERQGHSNFKQMQELNWTSSSIRTVDLIP
9	Q6ZRR7-D9	1113-1276,1373-1453	245		VDQFRNVCNVNLQNNHLTSFSGLIYLPNVKVLCLNYNHIESIMPRLKPQTHLTSRQLLYQKVPSSGYGQQGISKTNRDIMSSENLPPIMHSLEVLHLGYNGICNLIQLQLNRLRNLKFLFLQGNEISQVEGLDNLVVLQELVVDHNRIRSFNDSAFAKPSSLLAAKKNSLIPVTHSPMDGRSFGQVKTPPIEITNVLLPSGFSHYLGSDVTLTPEVEEFLGATFQDQIECNCLKRNEHTPRNSPV
10	Q6ZRR7-D10	1277-1372	96		LHLEENRLRELGKLQSLVKLEKLFLGYNKIQDITELEKLDVISTLRELTVYGNPICRKMLHRHMLIFRLPNLQMLDGSPVNSDDRAKAEFHLAELQ

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.49

(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	6g7eB	0.27	10.25	0.038	0.427	model1_6g7eB.pdb.gz
2	5cskA	0.27	10.09	0.031	0.413	model1_5cskA.pdb.gz
3	7bc4B	0.26	9.85	0.051	0.399	model1_7bc4B.pdb.gz
4	7bdiB	0.26	10.04	0.031	0.399	model1_7bdiB.pdb.gz
5	5m59A	0.26	10.44	0.031	0.409	model1_5m59A.pdb.gz
6	6reyc	0.26	10.09	0.039	0.395	model1_6reyc.pdb.gz
7	4bgdA	0.26	10.86	0.034	0.423	model1_4bgdA.pdb.gz
8	1tg7A	0.26	8.95	0.045	0.369	model1_1tg7A.pdb.gz
9	6h3iA	0.25	10.34	0.038	0.401	model1_6h3iA.pdb.gz
10	2uvcG	0.25	10.44	0.050	0.403	model1_2uvcG.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:0097159	0.75	organic cyclic compound binding
GO:1901363	0.74	heterocyclic compound binding
GO:0097367	0.69	carbohydrate derivative binding
GO:0000166	0.63	nucleotide binding
GO:0032555	0.62	purine ribonucleotide binding
GO:0032550	0.62	purine ribonucleoside binding
GO:0035639	0.61	purine ribonucleoside triphosphate binding
GO:0032559	0.53	adenyl ribonucleotide 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:0065007	0.78	biological regulation
GO:0009987	0.78	cellular process
GO:0050789	0.77	regulation of biological process
GO:0050794	0.73	regulation of cellular process
GO:0044699	0.68	single-organism process
GO:0044763	0.61	single-organism cellular process
GO:0007165	0.56	signal transduction

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	0.99	cell part
GO:0044424	0.96	intracellular part
GO:0044444	0.74	cytoplasmic part
GO:0005737	0.70	cytoplasm
GO:0043226	0.63	organelle
GO:0044422	0.62	organelle part
GO:0044446	0.61	intracellular organelle part
GO:0043229	0.60	intracellular organelle
GO:0016020	0.60	membrane
GO:0043227	0.58	membrane-bounded organelle
GO:0043231	0.55	intracellular membrane-bounded organelle
GO:0032991	0.52	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	1gthA	0.245	9.39	0.050	0.365	1.3.1.2	NA
2	0.060	1q2lA	0.209	9.17	0.046	0.304	3.4.24.55	298
3	0.060	1bxrA	0.217	9.45	0.035	0.324	6.3.5.5	NA
4	0.060	3eifA	0.215	8.88	0.035	0.307	3.4.21.110	NA
5	0.060	2uv8G	0.227	9.82	0.026	0.344	2.3.1.86	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:

No Binding sites was predicted

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

	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.