D-I-TASSER Q92630-D1

D-I-TASSER results for Q92630-D1

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

Input Sequence in FASTA format

>Q92630 (151 residues)
MLTRKPSAAAPAAYPTGRGGDSAVRQLQASPGLGAGATRSGVGTGPPSPIALPPLRASNA
AAAAHTIGGSKHTMNDHLHVGSHAHGQIQVQQLFEDNSNKRTVLTTQPNGLTTVGKTGLP
VVPERQLDSIHRRQGSSTSLKSMEGMGKVKA

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MLTRKPSAAAPAAYPTGRGGDSAVRQLQASPGLGAGATRSGVGTGPPSPIALPPLRASNAAAAAHTIGGSKHTMNDHLHVGSHAHGQIQVQQLFEDNSNKRTVLTTQPNGLTTVGKTGLPVVPERQLDSIHRRQGSSTSLKSMEGMGKVKA
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCSSCCCCCCCCCCCCCCSSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCC
Confidence	9877888665445666767742224434576533466456888889897778988878867765303576120245531146677615766543136787533345778888767778998876674402312476322123578887789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MLTRKPSAAAPAAYPTGRGGDSAVRQLQASPGLGAGATRSGVGTGPPSPIALPPLRASNAAAAAHTIGGSKHTMNDHLHVGSHAHGQIQVQQLFEDNSNKRTVLTTQPNGLTTVGKTGLPVVPERQLDSIHRRQGSSTSLKSMEGMGKVKA
Prediction	7344446343433344343343135414433232442445545665443530432455544434443454443244323234454341304301465455444444444434436444344356542643544644444354475565368
	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

                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCSSCCCCCCCCCCCCCCSSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCC
MLTRKPSAAAPAAYPTGRGGDSAVRQLQASPGLGAGATRSGVGTGPPSPIALPPLRASNAAAAAHTIGGSKHTMNDHLHVGSHAHGQIQVQQLFEDNSNKRTVLTTQPNGLTTVGKTGLPVVPERQLDSIHRRQGSSTSLKSMEGMGKVKA

2fkjA1

0.07

2.95

0.69

CEthreader

VLVSKEKNKDGKYDLIAELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGELSEKKITR--ADKSSTEEKFNEKGELSEKKITRADKSSTEEKFNEKGELSEKKITRADKSSTEE

3h7nA

0.07

2.77

0.58

EigenThreader

QNPYDFTVRVPHFLFVFLEDGGLLGSCKLFHERYLIVLTQNCHLKIWDLTSFTLIDEEYLANLETILRDVKTAFNEASSITLYGDEIILVNCFQ---PYNHSLYKLNTTVENWFYNMHSETDGSELFKYLRTLNGFASTLELPDSMTTVEK

2kaoA

0.10

0.07

2.70

0.30

FFAS-3D

----------GGEVFQNHFEPGVYVCAKCSYELFSSHSKYAHSSP--WPAFTETIHPDSVTKCPEKNRPEA------LKVSCGKCGN-GLGHEFLNDG-------PKRGQSRFIFSSSLKFVPKGKEAA--------------ASQGHLEH

7jjvA

0.16

0.13

4.38

0.94

SPARKS-K

-------MQCDGLDGADGT-----------SNGQAGASGLAGGPNCNGGKGGKGAPGVGTAGGAGGVGGAGGT-------GNTNGG----AGGSGGNSDVAAGGAGAAGGAAGGAGTGGTGGNAGKPGGAPGAGGAGTPAGSAGSPGQTTV

3iaqA

0.06

0.01

0.59

0.33

CNFpred

-----------------------------------------------------------------------AVLEAEVQMCGELRDYLRVTVSLWQG--ETQVASGTA-------------------------------------------

2i2xA

0.05

0.04

1.92

0.83

DEthreader

-GPVKAGLDLEIGA-------GYTIPEI--NY--APTEHQQMSGVAQMCALRTLSSAGAYEAGAGPG-KDC-GY-ENIIKATG----MPMTMEGKTDMGNLM-WSN-EGGTVQSELAYCAMTADLRDLMMLSDRYRDPQAMLAYDNAYR--

2fkjA1

0.04

2.04

0.95

MapAlign

VSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKSDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGELSEKKITRADKS--STEEKFNEKGELSEKKITRADKSSTEEKFNEKGELSEKKITRADKSS---

6etxG

0.11

3.86

0.67

MUSTER

NKDFLLGVNFPLSFPNLCSCPLLKSLVFSSHCKAVSGYSDQVVHQRRSATSSLRRCLLTELPSFLCVASPRVTAVPLDSYCNDRSAEYERRVLKEGGSLAAKLLNGAPELAADWLNRRSQFFPEPAGGLWSIRPQNGWSFIRIPGKESLIT

2pffB

0.18

0.15

4.75

0.63

HHsearch

IGNNEGVPS-------PMLSIS--NLTQEQV--------QDYKTNSHLPAG-KQVEISLVNGAKNLVVSNLTLRKAKAPS-GLDQSRIP---FSEKFSNRFPVASFHSHLLVPNAKSDLGSISERIVDCIIRLP------VKWETTTQFKA

4agiA

0.09

3.32

0.52

CEthreader

VAATSKELKHIRVYTLTEGNTLQEFAYDSGTGWYNGGLGGAKFQVAPYQKPDNTIQEYMWKEGTNLGGALPGTGIGATSFRYTDYNGPSIRIWFQTDDLKLVQRAYDPHKGWYPDLVTIFDRAPPRTAIAATSFGAGNSSIYMRIYFVNSD

(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	0.5022

(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	7a5oA	0.48	4.79	0.061	0.841	model1_7a5oA.pdb.gz
2	6i7sG	0.48	4.70	0.072	0.775	model1_6i7sG.pdb.gz
3	5xh8A	0.48	5.27	0.034	0.881	model1_5xh8A.pdb.gz
4	1hq0A	0.46	5.05	0.082	0.821	model1_1hq0A.pdb.gz
5	7kwoV	0.46	4.79	0.032	0.781	model1_7kwoV.pdb.gz
6	6yhkA2	0.46	5.04	0.090	0.808	model1_6yhkA2.pdb.gz
7	5annA	0.46	5.21	0.090	0.854	model1_5annA.pdb.gz
8	3uksA	0.46	5.12	0.063	0.801	model1_3uksA.pdb.gz
9	4fyeA2	0.45	4.99	0.063	0.808	model1_4fyeA2.pdb.gz
10	6rbfA	0.45	4.58	0.050	0.735	model1_6rbfA.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:0030145	1.00	manganese ion binding
GO:0005524	1.00	ATP binding
GO:0004713	1.00	protein tyrosine kinase activity
GO:0004674	1.00	protein serine/threonine kinase activity
GO:0000287	1.00	magnesium ion binding
GO:0043130	0.82	ubiquitin 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:0045725	1.00	positive regulation of glycogen biosynthetic process
GO:0042771	1.00	intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
GO:0006468	1.00	protein phosphorylation
GO:0048519	0.83	negative regulation of biological process
GO:0051534	0.82	negative regulation of NFAT protein import into nucleus
GO:0007224	0.82	smoothened signaling pathway

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:0005737	1.00	cytoplasm
GO:0005634	1.00	nucleus
GO:0044446	0.84	intracellular organelle part
GO:0044428	0.83	nuclear part
GO:0043234	0.83	protein complex
GO:0005654	0.82	nucleoplasm
GO:0000151	0.82	ubiquitin ligase 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	1xnvA	0.422	5.15	0.041	0.742	6.4.1.3	32
2	0.060	1cruB	0.421	5.11	0.037	0.768	1.1.5.2	NA
3	0.060	1mosA	0.355	5.49	0.045	0.656	2.6.1.16	111
4	0.060	3cp8A	0.438	5.03	0.042	0.755	1.-.-.-	NA
5	0.060	2ac1A	0.441	5.37	0.058	0.828	3.2.1.26	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	3hyxE	0.448	5.38	0.038	0.815	0.27	PS9	complex1.pdb.gz	115,117,126
2	0.01	3hyxC	0.367	5.65	0.040	0.702	0.12	AUK	complex2.pdb.gz	76,110,115
3	0.01	3hyvF	0.362	5.35	0.061	0.669	0.28	PS9	complex3.pdb.gz	116,118,120
4	0.01	2qquA	0.440	5.58	0.034	0.808	0.20	SUC	complex4.pdb.gz	90,91,110,116,117
5	0.01	3hywD	0.360	5.57	0.083	0.682	0.25	UUU	complex5.pdb.gz	90,92,104,118
6	0.01	3hyxE	0.448	5.38	0.038	0.815	0.26	UUU	complex6.pdb.gz	90,115,118
7	0.01	3hywA	0.439	5.28	0.069	0.788	0.23	DCQ	complex7.pdb.gz	107,116,118

	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.