D-I-TASSER P35998-D4

D-I-TASSER results for P35998-D4

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

Input Sequence in FASTA format

>P35998 (89 residues)
LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIA
TEKDFLEAVNKVIKSYAKFSATPRYMTYN

Predicted Secondary Structure

Sequence	20 40 60 80 \| \| \| \| LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN
Prediction	CCCHHHHHHHHHHHCCCCCCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCCCSCHHHHHHHHHHHHCCHHHHHHHHHHHHCC
Confidence	98889999999998179988889899999861969988999999999999999909983289999999999962767631137765159
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 \| \| \| \| LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN
Prediction	66547214510421347252576041530054156232130320132000200366364142630450243034336436332643668
	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

                   |                   |                   |                   |

SS
Seq

CCCHHHHHHHHHHHCCCCCCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCCCSCHHHHHHHHHHHHCCHHHHHHHHHHHHCC
LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN

3h4mA

0.41

0.36

10.60

1.33

DEthreader

APDEKGRLEILKIHTRKMNLAEDVNLEEIAKMTEGCVGAELKAICTEAGMNAIRELRDYVTMDDFRKAVEKIMEKKKV--K--------

5l4gH3

1.00

28.00

2.19

SPARKS-K

LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN

5ubvA

0.30

0.25

7.49

0.68

MapAlign

LPDVRGRIAILKHHAKKIKIGSDVNIAAIAARTSGLSGAELENIVNQAAVHASKEKAKAVMQAHFEWAKDKVI----------------

5ubvA2

0.29

0.25

7.52

0.49

CEthreader

LPDVRGRIAILKHHAKKIKIGSDVNIAAIAARTSGLSGAELENIVNQAAVHASKEKAKAVMQAHFEWAKDKVIMG--------------

5l4gH3

1.00

28.00

2.13

MUSTER

LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN

5e7pA

0.20

6.45

1.26

HHsearch

PPDAAARRDILRTAGKSIPLADDVDLDSLADDLDGYSAADCVALLRESAMTAMRRSIDDVTAADVAKARETVRPSLDPAQ-VESLREFA

5l4gH3

1.00

28.00

2.12

FFAS-3D

LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN

6az0A2

0.21

6.76

0.90

EigenThreader

LPDVRGRADILKHHMKKITLADNVDPTIIARGTPGLSGAELANLVNQAAVYACQKNAVSVDMSHFEWAKDKILMCGSDLQSATGTARAM

6epcH

1.00

28.00

1.00

CNFpred

LPDLEGRTHIFKIHARSMSVERDIRFELLARLCPNSTGAEIRSVCTEAGMFAIRARRKIATEKDFLEAVNKVIKSYAKFSATPRYMTYN

3h4mA2

0.41

0.36

10.60

1.33

DEthreader

APDEKGRLEILKIHTRKMNLAEDVNLEEIAKMTEGCVGAELKAICTEAGMNAIRELRDYVTMDDFRKAVEKIMEKKKV--K--------

(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	0.833

(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	5l4gH	0.87	1.44	0.944	0.944	model1_5l4gH.pdb.gz
2	3h4mA2	0.85	0.93	0.405	0.888	model1_3h4mA2.pdb.gz
3	5l4gL	0.85	1.66	0.391	0.944	model1_5l4gL.pdb.gz
4	4b4tH	0.82	0.92	0.782	0.876	model1_4b4tH.pdb.gz
5	4b4tI	0.82	2.05	0.326	0.933	model1_4b4tI.pdb.gz
6	1lv7A2	0.81	0.82	0.316	0.854	model1_1lv7A2.pdb.gz
7	4b4tL	0.81	0.96	0.377	0.865	model1_4b4tL.pdb.gz
8	4ww0A	0.81	1.04	0.351	0.854	model1_4ww0A.pdb.gz
9	5ubvA2	0.81	0.78	0.293	0.843	model1_5ubvA2.pdb.gz
10	5mpcJ	0.81	1.50	0.341	0.910	model1_5mpcJ.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:0016887	0.99	ATPase activity
GO:0042623	0.89	ATPase activity, coupled
GO:0036402	0.61	proteasome-activating ATPase activity
GO:0017025	0.61	TBP-class protein 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	0.94	cellular process
GO:0071704	0.92	organic substance metabolic process
GO:0044238	0.91	primary metabolic process
GO:0043170	0.91	macromolecule metabolic process
GO:0019538	0.90	protein metabolic process
GO:0006508	0.89	proteolysis
GO:0044237	0.82	cellular metabolic process
GO:0044260	0.81	cellular macromolecule metabolic process
GO:0065007	0.76	biological regulation
GO:0050789	0.76	regulation of biological process
GO:0050794	0.75	regulation of cellular process
GO:0009057	0.72	macromolecule catabolic process
GO:0031323	0.71	regulation of cellular metabolic process
GO:0044265	0.69	cellular macromolecule catabolic process
GO:0030163	0.69	protein catabolic process
GO:0080090	0.68	regulation of primary metabolic process
GO:0060255	0.68	regulation of macromolecule metabolic process
GO:0048518	0.68	positive regulation of biological process
GO:0051603	0.67	proteolysis involved in cellular protein catabolic process
GO:0048522	0.67	positive regulation of cellular process
GO:0009893	0.67	positive regulation of metabolic process
GO:0051128	0.66	regulation of cellular component organization
GO:0031325	0.66	positive regulation of cellular metabolic process
GO:0010604	0.66	positive regulation of macromolecule metabolic process
GO:0006355	0.66	regulation of transcription, DNA-templated
GO:0045944	0.65	positive regulation of transcription from RNA polymerase II promoter
GO:0006511	0.65	ubiquitin-dependent protein catabolic process
GO:0043161	0.63	proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0044087	0.62	regulation of cellular component biogenesis
GO:0030433	0.62	ER-associated ubiquitin-dependent protein catabolic process
GO:0045899	0.61	positive regulation of RNA polymerase II transcriptional preinitiation complex 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:0044444	0.90	cytoplasmic part
GO:0044446	0.87	intracellular organelle part
GO:0032991	0.75	macromolecular complex
GO:0043234	0.73	protein complex
GO:0044428	0.65	nuclear part
GO:0000502	0.63	proteasome complex
GO:0044445	0.61	cytosolic part
GO:0031597	0.60	cytosolic proteasome complex
GO:0031595	0.60	nuclear proteasome complex
GO:0008540	0.60	proteasome regulatory particle, base subcomplex
GO:0043226	0.53	organelle
GO:0043229	0.52	intracellular organelle

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	1dfoB	0.536	3.16	0.091	0.775	2.1.2.1	NA
2	0.060	1gq2A	0.547	3.30	0.057	0.910	1.1.1.40	NA
3	0.060	2c9oA	0.618	2.63	0.111	0.876	3.6.4.12	NA
4	0.060	3b9pA	0.742	2.29	0.190	0.888	3.6.4.3	NA
5	0.060	2h6jH	0.535	3.02	0.055	0.820	3.4.25.1	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:

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
	1	0.27	2dhrD	0.825	1.50	0.352	0.933	0.58	ADP	complex1.pdb.gz	10,14,39,42
	2	0.07	2dvw1	0.763	1.13	0.329	0.820	1.38	III	complex2.pdb.gz	4,5,8,22,23,24,25,27,31,55,57,58,59,61,62,63,66

	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.