D-I-TASSER Q6P1M3-D2

D-I-TASSER results for Q6P1M3-D2

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

Input Sequence in FASTA format

>Q6P1M3 (272 residues)
GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFLTDTDPNENFSAQGE
DEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQ
VEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVA
FGTSHGFGLFDHQQRRQVFVKCTLHPSDQLALEGPLSRVKSLKKSLRQSFRRMRRSRVSS
RKRHPAGPPGEAQEGSAKAERPGLQNMELAPV

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 \| \| \| \| \| \| \| \| \| \| \| \| \| GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFLTDTDPNENFSAQGEDEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQLALEGPLSRVKSLKKSLRQSFRRMRRSRVSSRKRHPAGPPGEAQEGSAKAERPGLQNMELAPV
Prediction	CCCCCCCCCCCSSSSSSCCCCCSSSSSCCCCCSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCCSSSSSCCCCSSSSSSSSCCCCCCCSSSSSSSSCCCCCCCCCCCCCCCSSCCCCCCCCCCCCSSSSSSSCCCCCSSSSSSSCCCCSSSSSCCCCSSSSSCCCCSSSSSSCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	98777899975289998189848999689760014577323100135655323434345434675321243355678875217999984789849995788779999984676655202588751125666567887510111476667998433699983589756899983577779998189379997789818998345787533446786300000011024456652147889888887788776667775212554110145789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 \| \| \| \| \| \| \| \| \| \| \| \| \| GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFLTDTDPNENFSAQGEDEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQLALEGPLSRVKSLKKSLRQSFRRMRRSRVSSRKRHPAGPPGEAQEGSAKAERPGLQNMELAPV
Prediction	86434663532200000123010000000120031014042241044644545546454465443244244233354544000210200350020000232000000203536354514423141345473354653530414643353431010200030345230100102241100000132000000144320000202233544434442242344145534532554564445765554445546445544446554356361457
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (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.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCSSSSSSCCCCCSSSSSCCCCCSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCCSSSSSCCCCSSSSSSSSCCCCCCCSSSSSSSSCCCCCCCCCCCCCCCSSCCCCCCCCCCCCSSSSSSSCCCCCSSSSSSSCCCCSSSSSCCCCSSSSSCCCCSSSSSSCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFLTDTDPNENFSAQGEDEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQLALEGPLSRVKSLKKSLRQSFRRMRRSRVSSRKRHPAGPPGEAQEGSAKAERPGLQNMELAPV

4yvdA

0.10

3.65

1.58

SPARKS-K

VRCIAVEP-GNQWFVTGSADRTIKIWDLASGKLKLSLTGHISTVRGVIVSTRSPEDKQV---KCWDLEYNKVIRHYHGHLSAVYGLDLHPTIDVLVTCSRDSTARIWDVRTKASVHTLSVATVRCQAAEPQIITGSHDTTI----RLWDLVAGKTRVTLTNHKK-SVRAVVLHPRHYTFASGSPDNIKQWKFPDGSFIQNLSGHNAIINTLTVNSDGVLVSGADNGTMHLWDWRTGYNFQRVHAESGIFACAFDQSESRLLTAEADKTIKVY

6n8pA

0.79

0.74

20.89

1.13

MUSTER

GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFL--------------DEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQLSFTGFVYLKDSSRHCPS----SLRVPPAERRMDEPVRGHSVPLPEPLEVAHDLSKSPDMQGS

6n8pA

0.76

0.72

20.40

1.41

FFAS-3D

GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFLDEWPPLRKVGS--------------FDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQLSFTGFVRTLYFADTYLKDSSRHCPSLRVPPAERRMDEPVRAEQAKEIQLMHRAPVDGHSVPL

6n8pA

1.00

0.72

20.18

2.71

CNFpred

GTSLTPAPPQRDLLLTGHEDGTVRFWDASGVCLRLLYKLSTVRVFL--------------DEWPPLRKVGSFDPYSDDPRLGIQKIFLCKYSGYLAVAGTAGQVLVLELNDEAAEQAVEQVEADLLQDQEGYRWKGHERLAARSGPVRFEPGFQPFVLVQCQPPAVVTSLALHSEWRLVAFGTSHGFGLFDHQQRRQVFVKCTLHPSDQL--------------------------------------------------------------

6fb3A

0.07

0.06

2.31

1.00

DEthreader

LYYLAVDPVSG-SLYVSDTNRRIYKVKSLTTLGNS-----EVVAGTQCLPFDEA-------------DATL--------MS-PRGIAVD-KYGLMYFVD-ATMIRKVDQNGIISTLLGRLEWPTDLAVD--PMDNS-LYVLENNVILRITENHQVSIIAGASALESASAIAISHT-GVLYISETIRLRQVT-TNGEICLLAGAASDC-DCK-ND-VNC-NC-YSGDDGYADANP-AASPGEQ------SSVEASYYQLTLRVISFHSEPTV-

6iamA

0.08

3.07

1.53

SPARKS-K

VSSVKFSP-NGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPVSAVHFNRDGSLIVSSSYDGLC----RIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNLKLWDYSKGKCLKTYTGHKNENFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKL

5o9zL

0.10

0.09

3.23

0.42

MapAlign

VECARFSPD-GQYLVTGSVDGFIEVWNFTTGKIRK--------DLKYQ-----------------------AQDNFMMMDDAVLCMCFSRDTEMLATGAQDGKIKVWKIQSGQCLRRFEKGVTCLSFSKDSSQILSA--SFDQTIRIHGLKSGKTLKEFRG-HSSFVNEATFTQDGHYIISASSGTVKIWNMKTTECSNTFKITVNSVILLPKNPEHFVVCNRSNTVVIMNMQGQIVRSFSSGKREGGDFVCCALSPRGEWIYCV-------

5a1uD1

0.09

0.06

2.11

0.34

CEthreader

VKSVDLHP-TEPWMLASLYNGSVCVWNHETQTLVKTFEV---------------------------------------CDLPVRAAKFVARKNWVVTGADDMQIRVFNYNTLERVHMFESDYIRCIAVHPTQPFILTSSDDMLIKLWDWDKKWSCSQVFEGHTHYVMQIVINPKDNNQFASASLDTIKVWQLGSSSPNFTLEGHEKGVN---------------------------------------------------------------

5oqlA

0.10

3.56

1.05

MUSTER

GVTACEFAKKGSVLFTASLDGSVRAWDLIRYRNFRTFTAPELSFTCMAVDPSGEVIAAGSIDSFDIVQTGQLLDRLSGHEGPVSSLAFAPDGSVLVSGSWDRTARIWSIFSRTQTSEPLQLQSDVLDDSKQIAISTLDGVDGRRDVSGGRRITDRRTAANVAGTKNFNTIRYSMDGTCLLAGGNSYICLYSTTTMVLLKKFTVSVNLSLSGTQEFLNSKLMTEAGP------VGLLDDQGEASDLEDRIDRSLPGSKRGDPGARKKFPEVRV

6t9iD

0.11

0.10

3.73

0.66

HHsearch

MSCLDFSD-DCRIAAAGFQDSYIKIWSLDGSSLCKTLVGHSGTVYSTSFSPDNKYEDKTVRLWSMDTH--TALVSYKGHNHPVWDVSFSPLGHYFATASHDQTARLWSCDHIYPLRIFAVDCVSFHPNGCYVFTGSS------DKTCRMWDTGDSVRLFLGHT-APVISIAVCPDGRWLSTGSEDGINVWDIGTGKRLKQMRG-HGNAIYKEGNVLGADHTVRVWDLKKATTEPSAE--PDEGDVTSINQDIKEYGRIPTSDLVASFKKTPV

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.5452

(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	4lgnA1	0.67	4.26	0.080	0.908	model1_4lgnA1.pdb.gz
2	5fkqA1	0.67	4.25	0.080	0.908	model1_5fkqA1.pdb.gz
3	6mgjA1	0.67	4.25	0.091	0.901	model1_6mgjA1.pdb.gz
4	2ebsB	0.66	4.45	0.080	0.908	model1_2ebsB.pdb.gz
5	4lg8A	0.66	4.39	0.120	0.893	model1_4lg8A.pdb.gz
6	6iamA	0.66	4.49	0.055	0.901	model1_6iamA.pdb.gz
7	3a0fA	0.66	4.58	0.068	0.919	model1_3a0fA.pdb.gz
8	6b3xA	0.66	4.42	0.090	0.901	model1_6b3xA.pdb.gz
9	3dw8B	0.66	4.69	0.076	0.923	model1_3dw8B.pdb.gz
10	5c2vB	0.65	4.57	0.066	0.908	model1_5c2vB.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:0000149	1.00	SNARE binding
GO:0019905	0.99	syntaxin binding
GO:0017016	0.99	Ras GTPase binding
GO:0005096	0.99	GTPase activator activity
GO:0017137	0.98	Rab GTPase 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:0050794	0.98	regulation of cellular process
GO:0050708	0.93	regulation of protein secretion
GO:0017157	0.93	regulation of exocytosis
GO:0044699	0.85	single-organism process
GO:0009987	0.85	cellular process
GO:0044763	0.80	single-organism cellular process
GO:0051179	0.76	localization
GO:0016043	0.76	cellular component organization
GO:0051234	0.75	establishment of localization
GO:0023051	0.75	regulation of signaling
GO:0010646	0.75	regulation of cell communication
GO:0048583	0.74	regulation of response to stimulus
GO:1902578	0.73	single-organism localization
GO:0048869	0.73	cellular developmental process
GO:0009966	0.73	regulation of signal transduction
GO:0051649	0.72	establishment of localization in cell
GO:0051641	0.72	cellular localization
GO:0008593	0.72	regulation of Notch signaling pathway
GO:1902580	0.71	single-organism cellular localization
GO:0051656	0.71	establishment of organelle localization
GO:0030029	0.70	actin filament-based process
GO:0022402	0.70	cell cycle process
GO:0006996	0.70	organelle organization
GO:0051294	0.69	establishment of spindle orientation
GO:0032878	0.69	regulation of establishment or maintenance of cell polarity
GO:0030866	0.69	cortical actin cytoskeleton organization
GO:0022008	0.69	neurogenesis

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	0.99	intracellular part
GO:0044444	0.96	cytoplasmic part
GO:0043226	0.96	organelle
GO:0043229	0.95	intracellular organelle
GO:0016020	0.94	membrane
GO:0005886	0.89	plasma membrane
GO:0044446	0.75	intracellular organelle part
GO:0044430	0.69	cytoskeletal part
GO:0043232	0.69	intracellular non-membrane-bounded organelle
GO:0030864	0.68	cortical actin cytoskeleton

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	0.066	1ri6A	0.632	4.40	0.078	0.868	3.1.1.31	NA
2	0.066	1jofA	0.639	4.69	0.062	0.908	5.5.1.5	NA
3	0.066	3c75J	0.602	4.73	0.067	0.868	1.4.99.3	106
4	0.066	1rwlA	0.531	5.02	0.090	0.787	2.7.11.1	NA
5	0.066	1pjxA	0.549	4.84	0.050	0.809	3.1.8.2	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	2xl3B	0.652	4.59	0.054	0.908	0.76	III	complex1.pdb.gz	89,90,91,94,116,151
2	0.02	1sqj0	0.660	4.51	0.080	0.908	0.60	III	complex2.pdb.gz	118,149,150,151,152,153
3	0.02	1a0rB	0.637	4.52	0.080	0.882	0.68	FAR	complex3.pdb.gz	97,99,101,103,105,107
4	0.02	3smrC	0.649	4.58	0.055	0.904	0.65	NP7	complex4.pdb.gz	2,3,83,84,85,166,168,184,223
5	0.02	1qniA	0.638	4.17	0.050	0.846	0.73	CUA	complex5.pdb.gz	98,104,137,140

	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.