D-I-TASSER Q99700-D4

D-I-TASSER results for Q99700-D4

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

Input Sequence in FASTA format

>Q99700 (150 residues)
QPKPSTTPTSPRPQAQPSPSMVGHQQPTPVYTQPVCFAPNMMYPVPVSPGVQPLYPIPMT
PMPVNQAKTYRAVPNMPQQRQDQHHQSAMMHPASAAGPPIAATPPAYSTQYVAYSPQQFP
NQPLVQHVPHYQSQPSFYFAISTGSLAQQY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| QPKPSTTPTSPRPQAQPSPSMVGHQQPTPVYTQPVCFAPNMMYPVPVSPGVQPLYPIPMTPMPVNQAKTYRAVPNMPQQRQDQHHQSAMMHPASAAGPPIAATPPAYSTQYVAYSPQQFPNQPLVQHVPHYQSQPSFYFAISTGSLAQQY
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCC
Confidence	998888998999989999988788999868899887889888888999987888988889998888889998999999899999999888998889999888999888888888988899998778888889998535550543200159
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| QPKPSTTPTSPRPQAQPSPSMVGHQQPTPVYTQPVCFAPNMMYPVPVSPGVQPLYPIPMTPMPVNQAKTYRAVPNMPQQRQDQHHQSAMMHPASAAGPPIAATPPAYSTQYVAYSPQQFPNQPLVQHVPHYQSQPSFYFAISTGSLAQQY
Prediction	856576434445464544344444544444344443444544434444343434444344444544444454444435444744444444445446634444444434463442524433543444445434453322131234411657
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCC
QPKPSTTPTSPRPQAQPSPSMVGHQQPTPVYTQPVCFAPNMMYPVPVSPGVQPLYPIPMTPMPVNQAKTYRAVPNMPQQRQDQHHQSAMMHPASAAGPPIAATPPAYSTQYVAYSPQQFPNQPLVQHVPHYQSQPSFYFAISTGSLAQQY

5ay6A

0.07

2.98

0.52

CEthreader

SSTIDYKGASPVTGSMTTTRINAAGTTVNLADLGIVNASGADDAEVVAGKLYDPSTWSMSDYAKDNSKGVKPDFEVQIPLSDSQRTVTLSMLKGPGPNQWYAELRAGQISTGIIEFTTDGKLKNTGSLFGTTSPTAITIKSSGYIAPTVT

7c7lA1

0.04

2.06

0.52

EigenThreader

EACSKHLKVTTQVERNACLFCKARK---LDDKFYQKLRGQFPDAVFWQEISEIFRQLQKQAAEIYNQSLIELYYEIFIKGKGIANASSVEHYLSDVCYTRAAELFKNAAIASGLRSKIKSFPIPLVKFGRQVQKSPKPTEAEIKKVMNGD

2xd8A

0.10

0.09

3.42

0.36

FFAS-3D

--MANANQVLGRSNLSTGTGYGGATDKYALYLKL--FSGEMFKGFQHETIARDLVTKRTLKNGKSLQFIYTGRMTSSFHTPGTPILGNADKAPPVAEKTIVMDDLLISSAFVYDLDETLAHYELRGEISK----------KIGYALAEK-

5aftV

0.07

2.76

0.79

SPARKS-K

------SGNKVSRQSVLCGSQNIVLNGKTIIMNDCIIRGDLANVRVGRHVVKSRSVIRPPFKKFSKGVAFFPLGDHVFIEEDCVVNAAQIGSYVHVGKNCVIGRRCVLKDCCKILDNVLPPETVVPPFTVFSGCPGLFSGELPECTQELM

4wf7A

0.12

0.04

1.41

0.24

CNFpred

--------------------------------------------------------------------------------------------------LLLAEAAQWPEEVVEYFGTE---EPEFHMCFNFPVMPRLYMSLKREDTSSIR

6b6vA

0.07

0.05

2.26

0.83

DEthreader

---------------GKMRLDADVALLAAALADWMTEDTPRPRQSTVNSQPVSIMSGFSNEIPL-GFV-G--IV-GCNNPKIRQD-SANVTLTRELIDMVLATGC-T-A---AGGLAVCSLGVPPVLH-GSCVNAAAIAMYAVASGVVGA

5wlcLN

0.11

3.87

0.89

MapAlign

-SNGNIEIWNPRNNWFQEMVIEGGKDRSIEGLCWSNVNGESLRLFSIGGSTVVTEWDLATGLPLRNYDCNSGVIWSISINDSQDKLSVGCDNGTVEARVLTLAWKKDDFVIGGCSDGRIRESTLVWSVIYLPRTDQIASGDSTGSIKFWD

4mguA1

0.14

0.13

4.59

0.81

MUSTER

IPRPITTPHNNFPVDRPNPNEFAQLPPGSCIEECNNYKPQLGLIKKAIPAVYTGVPSAVGGNSTLSCPAGAGNSQYRTADFTMTNNLRGDSETFKDTVVSNIATQIEKSQILHAGTQYFIVEAACKVRLQYPSIRPLFNGPNTIPDNQ--

5hau1x

0.44

0.05

1.37

0.48

HHsearch

RPRPPR---LPRPRPRPLP-----------------------------------------------------------------------------------------------------------------------------------

5wlcLN

0.05

2.26

0.46

CEthreader

PRNNWFQEMVIEGGKDRSIEGLCWSNVNGESLRLFSIGGSTVVTEWDLATGLPLRNYDCNSGVIWSISISGGPGVLEHDTILMRQEARVLTLAWKKDDFVIGGCSDGRIRIWSAQKNDENMGRLLHTMKVDKAKKESTLVWSVIYLPRTD

(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	0.4458

(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	6riwA	0.44	5.48	0.070	0.860	model1_6riwA.pdb.gz
2	6os3A	0.42	5.33	0.090	0.787	model1_6os3A.pdb.gz
3	2wj2A	0.42	5.46	0.063	0.813	model1_2wj2A.pdb.gz
4	3a2pA	0.42	5.74	0.063	0.847	model1_3a2pA.pdb.gz
5	4bg2A	0.42	5.52	0.085	0.793	model1_4bg2A.pdb.gz
6	4ezcA	0.42	5.29	0.024	0.747	model1_4ezcA.pdb.gz
7	3o24A	0.41	5.42	0.050	0.773	model1_3o24A.pdb.gz
8	3ip4A	0.41	5.57	0.040	0.813	model1_3ip4A.pdb.gz
9	1ocmA	0.41	5.50	0.063	0.800	model1_1ocmA.pdb.gz
10	3kfuE	0.40	5.32	0.094	0.780	model1_3kfuE.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:0003676	0.95	nucleic acid binding
GO:0003723	0.94	RNA binding
GO:0044822	0.93	poly(A) RNA 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	0.98	cellular process
GO:0065007	0.96	biological regulation
GO:0050789	0.96	regulation of biological process
GO:0050794	0.95	regulation of cellular process
GO:0016043	0.95	cellular component organization
GO:0043933	0.94	macromolecular complex subunit organization
GO:0006996	0.94	organelle organization
GO:0034063	0.93	stress granule assembly
GO:0010603	0.93	regulation of cytoplasmic mRNA processing body assembly

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:0043229	0.80	intracellular organelle
GO:0044444	0.78	cytoplasmic part
GO:0032991	0.78	macromolecular complex
GO:0043232	0.75	intracellular non-membrane-bounded organelle
GO:0030529	0.75	intracellular ribonucleoprotein complex
GO:0010494	0.74	cytoplasmic stress granule

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	2gi3A	0.408	5.74	0.023	0.827	6.3.5.-	97
2	0.060	1ndoA	0.404	4.99	0.043	0.700	1.14.12.12	NA
3	0.060	3e0jA	0.394	5.24	0.062	0.700	2.7.7.7	NA
4	0.060	1m21A	0.391	5.82	0.061	0.793	3.5.1.-	NA
5	0.060	1wd9A	0.347	4.85	0.023	0.620	3.5.3.15	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	3chpA	0.328	5.52	0.022	0.627	0.11	4BO	complex1.pdb.gz	74,113,115,116
2	0.01	2wj1B	0.380	5.51	0.033	0.733	0.12	S99	complex2.pdb.gz	18,19,21
3	0.01	2vj8A	0.408	5.51	0.064	0.787	0.11	HA2	complex3.pdb.gz	48,50,51,52,96
4	0.01	3b7tA	0.401	5.55	0.078	0.780	0.13	III	complex4.pdb.gz	96,97,98,99,118
5	0.01	3rboA	0.317	6.18	0.015	0.700	0.17	ADP	complex5.pdb.gz	100,101,147,148,149
6	0.01	1ocmA	0.411	5.50	0.063	0.800	0.29	POP	complex6.pdb.gz	20,93,96
7	0.01	2f2aA	0.414	4.75	0.074	0.707	0.16	GLN	complex7.pdb.gz	20,21,22
8	0.01	3qkvA	0.417	5.35	0.071	0.800	0.24	QKV	complex8.pdb.gz	21,93,96

	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.