D-I-TASSER Q9UL18

D-I-TASSER results for Q9UL18

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

Summary of the Protein

Uniprot ID: Q9UL18
Protein Name: Protein argonaute-1
Gene Name: AGO1

Input Sequence in FASTA format

>Q9UL18 (857 residues)
MEAGPSGAAAGAYLPPLQQVFQAPRRPGIGTVGKPIKLLANYFEVDIPKIDVYHYEVDIK
PDKCPRRVNREVVEYMVQHFKPQIFGDRKPVYDGKKNIYTVTALPIGNERVDFEVTIPGE
GKDRIFKVSIKWLAIVSWRMLHEALVSGQIPVPLESVQALDVAMRHLASMRYTPVGRSFF
SPPEGYYHPLGGGREVWFGFHQSVRPAMWKMMLNIDVSATAFYKAQPVIEFMCEVLDIRN
IDEQPKPLTDSQRVRFTKEIKGLKVEVTHCGQMKRKYRVCNVTRRPASHQTFPLQLESGQ
TVECTVAQYFKQKYNLQLKYPHLPCLQVGQEQKHTYLPLEVCNIVAGQRCIKKLTDNQTS
TMIKATARSAPDRQEEISRLMKNASYNLDPYIQEFGIKVKDDMTEVTGRVLPAPILQYGG
RNRAIATPNQGVWDMRGKQFYNGIEIKVWAIACFAPQKQCREEVLKNFTDQLRKISKDAG
MPIQGQPCFCKYAQGADSVEPMFRHLKNTYSGLQLIIVILPGKTPVYAEVKRVGDTLLGM
ATQCVQVKNVVKTSPQTLSNLCLKINVKLGGINNILVPHQRSAVFQQPVIFLGADVTHPP
AGDGKKPSITAVVGSMDAHPSRYCATVRVQRPRQEIIEDLSYMVRELLIQFYKSTRFKPT
RIIFYRDGVPEGQLPQILHYELLAIRDACIKLEKDYQPGITYIVVQKRHHTRLFCADKNE
RIGKSGNIPAGTTVDTNITHPFEFDFYLCSHAGIQGTSRPSHYYVLWDDNRFTADELQIL
TYQLCHTYVRCTRSVSIPAPAYYARLVAFRARYHLVDKEHDSGEGSHISGQSNGRDPQAL
AKAVQVHQDTLRTMYFA

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	Q9UL18-D1	1-40,404-441,572-857	364		MEAGPSGAAAGAYLPPLQQVFQAPRRPGIGTVGKPIKLLATEVTGRVLPAPILQYGGRNRAIATPNQGVWDMRGKQFYINNILVPHQRSAVFQQPVIFLGADVTHPPAGDGKKPSITAVVGSMDAHPSRYCATVRVQRPRQEIIEDLSYMVRELLIQFYKSTRFKPTRIIFYRDGVPEGQLPQILHYELLAIRDACIKLEKDYQPGITYIVVQKRHHTRLFCADKNERIGKSGNIPAGTTVDTNITHPFEFDFYLCSHAGIQGTSRPSHYYVLWDDNRFTADELQILTYQLCHTYVRCTRSVSIPAPAYYARLVAFRARYHLVDKEHDSGEGSHISGQSNGRDPQALAKAVQVHQDTLRTMYFA
2	Q9UL18-D2	41-403	363		NYFEVDIPKIDVYHYEVDIKPDKCPRRVNREVVEYMVQHFKPQIFGDRKPVYDGKKNIYTVTALPIGNERVDFEVTIPGEGKDRIFKVSIKWLAIVSWRMLHEALVSGQIPVPLESVQALDVAMRHLASMRYTPVGRSFFSPPEGYYHPLGGGREVWFGFHQSVRPAMWKMMLNIDVSATAFYKAQPVIEFMCEVLDIRNIDEQPKPLTDSQRVRFTKEIKGLKVEVTHCGQMKRKYRVCNVTRRPASHQTFPLQLESGQTVECTVAQYFKQKYNLQLKYPHLPCLQVGQEQKHTYLPLEVCNIVAGQRCIKKLTDNQTSTMIKATARSAPDRQEEISRLMKNASYNLDPYIQEFGIKVKDDM
3	Q9UL18-D3	442-571	130		NGIEIKVWAIACFAPQKQCREEVLKNFTDQLRKISKDAGMPIQGQPCFCKYAQGADSVEPMFRHLKNTYSGLQLIIVILPGKTPVYAEVKRVGDTLLGMATQCVQVKNVVKTSPQTLSNLCLKINVKLGG

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.84

(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	4f1nA	0.71	4.67	0.189	0.832	model1_4f1nA.pdb.gz
2	4ei1A	0.66	5.08	0.574	0.817	model1_4ei1A.pdb.gz
3	5awhA	0.56	5.79	0.089	0.705	model1_5awhA.pdb.gz
4	6qzkA	0.55	6.01	0.124	0.698	model1_6qzkA.pdb.gz
5	5guhA	0.54	5.61	0.151	0.669	model1_5guhA.pdb.gz
6	3f73A	0.53	6.23	0.098	0.688	model1_3f73A.pdb.gz
7	2f8tA	0.52	6.07	0.091	0.673	model1_2f8tA.pdb.gz
8	5i4aA	0.52	5.57	0.104	0.644	model1_5i4aA.pdb.gz
9	1u04A	0.50	6.39	0.100	0.657	model1_1u04A.pdb.gz
10	3hjeA	0.26	8.24	0.048	0.407	model1_3hjeA.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	0.96	heterocyclic compound binding
GO:0097159	0.96	organic cyclic compound binding
GO:0003723	0.94	RNA binding
GO:0035198	0.51	miRNA 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:0065007	0.90	biological regulation
GO:0050789	0.89	regulation of biological process
GO:0044237	0.86	cellular metabolic process
GO:0071704	0.85	organic substance metabolic process
GO:0060255	0.84	regulation of macromolecule metabolic process
GO:0044260	0.84	cellular macromolecule metabolic process
GO:0044238	0.84	primary metabolic process
GO:0048519	0.83	negative regulation of biological process
GO:0010468	0.83	regulation of gene expression
GO:0044699	0.82	single-organism process
GO:0034641	0.82	cellular nitrogen compound metabolic process
GO:0010629	0.82	negative regulation of gene expression
GO:0090304	0.81	nucleic acid metabolic process
GO:0016070	0.80	RNA metabolic process
GO:0050794	0.78	regulation of cellular process
GO:0010608	0.74	posttranscriptional regulation of gene expression
GO:0080090	0.72	regulation of primary metabolic process
GO:0031323	0.72	regulation of cellular metabolic process
GO:0051171	0.70	regulation of nitrogen compound metabolic process
GO:2000112	0.69	regulation of cellular macromolecule biosynthetic process
GO:0048523	0.67	negative regulation of cellular process
GO:0044763	0.67	single-organism cellular process
GO:0032268	0.65	regulation of cellular protein metabolic process
GO:0031324	0.65	negative regulation of cellular metabolic process
GO:2000113	0.64	negative regulation of cellular macromolecule biosynthetic process
GO:0051172	0.64	negative regulation of nitrogen compound metabolic process
GO:0016071	0.62	mRNA metabolic process
GO:0006417	0.62	regulation of translation
GO:0006396	0.60	RNA processing
GO:0032269	0.59	negative regulation of cellular protein metabolic process
GO:0016458	0.59	gene silencing
GO:0017148	0.58	negative regulation of translation
GO:0031047	0.57	gene silencing by RNA

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:0032991	0.93	macromolecular complex
GO:0030529	0.89	intracellular ribonucleoprotein complex
GO:0043229	0.79	intracellular organelle
GO:0044444	0.78	cytoplasmic part
GO:0005737	0.74	cytoplasm
GO:0043231	0.58	intracellular membrane-bounded organelle
GO:0005634	0.52	nucleus

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	1vbgA	0.284	8.17	0.030	0.435	2.7.9.1	NA
2	0.060	1ofdA	0.314	9.15	0.039	0.519	1.4.7.1	623
3	0.060	2g49A	0.299	8.42	0.033	0.467	3.4.24.56	NA
4	0.060	2vuaA	0.202	7.15	0.038	0.287	3.4.24.69	NA
5	0.060	3ffzA	0.326	8.86	0.044	0.530	3.4.24.69	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	0.02	3hvrA	0.548	5.68	0.108	0.685	0.19	QNA	complex1.pdb.gz	525,531,543,544,547,635,673
2	0.02	3hk2A	0.543	5.83	0.108	0.690	0.11	QNA	complex2.pdb.gz	380,527,606
3	0.01	3ho1A	0.553	5.72	0.108	0.693	0.14	QNA	complex3.pdb.gz	525,531,543,547
4	0.01	1c30A	0.318	8.63	0.024	0.503	0.23	ORN	complex4.pdb.gz	30,31,33,39
5	0.01	1ytuA	0.388	3.46	0.123	0.427	0.12	QNA	complex5.pdb.gz	527,532,627
6	0.01	1ce8A	0.318	8.61	0.030	0.503	0.11	ADP	complex6.pdb.gz	525,526,527,813
7	0.01	1a9xG	0.318	8.69	0.024	0.506	0.12	ADP	complex7.pdb.gz	528,529,530,531,819
8	0.01	3dlhA	0.473	6.94	0.098	0.651	0.10	QNA	complex8.pdb.gz	30,32,540,808
9	0.01	2f8sA	0.523	6.15	0.091	0.674	0.13	RQA	complex9.pdb.gz	30,33,403
10	0.01	1a9x3	0.319	8.75	0.033	0.510	0.16	III	complex10.pdb.gz	528,529,532,533

	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.