D-I-TASSER Q92922-D5

D-I-TASSER results for Q92922-D5

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

Input Sequence in FASTA format

>Q92922 (99 residues)
GPPPTPHFNVLADTPSGLVPLHLRSPQVPAADGQQPEKAENKVENETDEGDKAQDGENEK
NSEKEQDSEVSEDTKSEEKETEENKELTDTCKERESDTG

Predicted Secondary Structure

Sequence	20 40 60 80 \| \| \| \| GPPPTPHFNVLADTPSGLVPLHLRSPQVPAADGQQPEKAENKVENETDEGDKAQDGENEKNSEKEQDSEVSEDTKSEEKETEENKELTDTCKERESDTG
Prediction	CCCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHCCCCHHHHHHHCCCC
Confidence	978997346861699876468999988885100376544456555677664301378887777640365687862289999985221145776531479
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 \| \| \| \| GPPPTPHFNVLADTPSGLVPLHLRSPQVPAADGQQPEKAENKVENETDEGDKAQDGENEKNSEKEQDSEVSEDTKSEEKETEENKELTDTCKERESDTG
Prediction	864434213022233432342327546345567544674675367355333434533454535656646445615554433335662453156366778
	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

CCCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHCCCCHHHHHHHCCCC
GPPPTPHFNVLADTPSGLVPLHLRSPQVPAADGQQPEKAENKVENETDEGDKAQDGENEKNSEKEQDSEVSEDTKSEEKETEENKELTDTCKERESDTG

6kg7A

0.03

1.77

1.17

DEthreader

YQYTDLKYYGRNN--L-TA-PVSKTYYKGLELRRRILQRRVFF-VAIKSQILASRGAELFQATIVKAVKARIEEEKKSMDQLKRQMDRIKARQQKYKKG

6tdaL

0.27

0.26

8.06

1.47

HHsearch

GPSFTGHFQVVLDTPQGLKPFLPVKKNWSDQEMLLLLEGIEMEDQWEKVGGHKRVEDCVGSIEESQAILVSKFTKLCDKESEKSKQILDLNKSLEE---

6m0vA3

0.05

2.36

0.46

CEthreader

SDATIYATRQAKVGKDKADETYVLGKIKDIYTQDGYDAFMKIYKKDKSKFLMYRHDPQTFEKVIEPILENYPNKVPCNPFLKYKEEHGYIRKYSKKGNG

4a01A

0.03

1.82

0.58

EigenThreader

ATYANARTTLEARKGVGKAFITAFRSGAVMGFLLAANGLLVLYIAINLFKIYYGDDWGGLFEAITGYGLGGSSMALFGRVGGGIYTKAADVGADLVGKV

3jct5

0.15

0.09

3.05

0.43

FFAS-3D

------------------------------------ELKKQKRLEDKQFKERLKALKDEKEEARQAKITMLKERREKKEENERYERLAERMRRRE----

5nrlN

0.16

0.13

4.36

0.95

SPARKS-K

-----------------PRPLFMKKKANDDARVLQTKKENMIKNIDKANQVAKNYENEELIKQCLLDSEKERQKQNERKQKHRRIQLAKQRESEEYEA-

5woyA

0.15

0.05

1.70

0.38

CNFpred

-------DLVIVDGLEGIVIVNPDEKTVEDYKSKKESYEK-----------------------------------------------------------

4ux3A

0.10

0.08

2.97

1.17

DEthreader

KNE----------------KREER-----KSFEVKLKASLKKMEEEKIQIKEMGELNSKLSEMEQERKELEKYNELERNRKIYQFTLYDRELNEVINQM

3cawA

0.03

1.79

0.68

MapAlign

---REGVLLKVEWNDGLYGFADLHPWPELGDLSLEEQLSDLRMGRMTTQIEQSKIASAPFDVIVIKKLAVTSYMDHPVGVVHAVGVAMELKDKYGDMIL

6k15H

0.19

6.18

0.84

MUSTER

GPSFTGHFQVVLDTPQGLKPFLPEFPVNLTIKKNVYDSAQDFNALQDESRNSRQIHKVYICHTCGNESINNLRARDQEGHFGANFQSSDFIRLENNGNS

(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	0.5076

(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	2o9dB	0.50	3.94	0.053	0.818	model1_2o9dB.pdb.gz
2	5i32A	0.50	4.14	0.032	0.838	model1_5i32A.pdb.gz
3	3p5pA1	0.49	3.80	0.075	0.828	model1_3p5pA1.pdb.gz
4	1f16A	0.49	4.28	0.045	0.869	model1_1f16A.pdb.gz
5	2f2bA	0.49	4.11	0.053	0.838	model1_2f2bA.pdb.gz
6	2d57A	0.49	3.92	0.043	0.808	model1_2d57A.pdb.gz
7	2w2eA	0.48	4.26	0.117	0.838	model1_2w2eA.pdb.gz
8	3c02A	0.46	4.56	0.063	0.869	model1_3c02A.pdb.gz
9	1j4nA	0.46	4.16	0.031	0.818	model1_1j4nA.pdb.gz
10	3g4dA	0.45	4.80	0.052	0.879	model1_3g4dA.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:0003677	0.58	DNA binding
GO:0003713	0.56	transcription coactivator activity
GO:0031492	0.55	nucleosomal DNA binding
GO:0000980	0.55	RNA polymerase II distal enhancer sequence-specific DNA binding
GO:0000978	0.55	RNA polymerase II core promoter proximal region sequence-specific DNA 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:0044699	0.95	single-organism process
GO:0065007	0.77	biological regulation
GO:0050789	0.77	regulation of biological process
GO:0006355	0.68	regulation of transcription, DNA-templated
GO:0048518	0.67	positive regulation of biological process
GO:0044767	0.63	single-organism developmental process
GO:0048519	0.62	negative regulation of biological process
GO:0044763	0.61	single-organism cellular process
GO:0043044	0.61	ATP-dependent chromatin remodeling
GO:0045893	0.58	positive regulation of transcription, DNA-templated
GO:0006357	0.58	regulation of transcription from RNA polymerase II promoter
GO:0048523	0.53	negative regulation of cellular process

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:0044428	1.00	nuclear part
GO:0043234	0.82	protein complex
GO:0070603	0.81	SWI/SNF superfamily-type complex
GO:0090544	0.77	BAF-type complex
GO:0005654	0.71	nucleoplasm
GO:0043231	0.66	intracellular membrane-bounded organelle
GO:0097458	0.53	neuron part
GO:0071565	0.51	nBAF complex
GO:0071564	0.51	npBAF complex
GO:0016514	0.51	SWI/SNF complex
GO:0000790	0.51	nuclear chromatin

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	1ffuB	0.449	4.36	0.046	0.849	1.2.99.2	NA
2	0.060	1ia7A	0.444	4.65	0.085	0.788	3.2.1.4	NA
3	0.060	1gaiA	0.466	4.56	0.071	0.899	3.2.1.3	59,78
4	0.060	1e1cA	0.472	4.18	0.079	0.798	5.4.99.2	NA
5	0.060	2a4zA	0.400	4.74	0.033	0.778	2.7.1.153	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	1gaiA	0.466	4.56	0.071	0.899	0.11	GAC	complex1.pdb.gz	11,13,49,50
2	0.01	3crqA	0.462	4.29	0.046	0.828	0.23	DPO	complex2.pdb.gz	14,18,19,20,21
3	0.01	2k7wA	0.490	4.20	0.057	0.859	0.15	III	complex3.pdb.gz	33,84,93
4	0.01	2qkiA	0.359	4.65	0.000	0.697	0.14	III	complex4.pdb.gz	6,43,50
5	0.01	2inp0	0.477	4.21	0.071	0.859	0.19	III	complex5.pdb.gz	15,57,63
6	0.01	2qkiD	0.405	4.76	0.047	0.768	0.12	III	complex6.pdb.gz	18,19,21
7	0.01	3glyA	0.461	4.53	0.051	0.889	0.16	UUU	complex7.pdb.gz	8,18,51
8	0.01	1mm8A	0.471	4.47	0.075	0.859	0.12	QNA	complex8.pdb.gz	59,60,87,88

	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.