D-I-TASSER Q9UHN6-D1

D-I-TASSER results for Q9UHN6-D1

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

Input Sequence in FASTA format

>Q9UHN6 (109 residues)
MYATDSRGHSPAFLQPQNGNSRHPSGYVPGKVVPLRPPPPPKSQASAKFTSIRREDRATF
AFSPEEQQAQRESQKQKRHKNTFICFAITSFSFFIALAIILGISSKYAP

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MYATDSRGHSPAFLQPQNGNSRHPSGYVPGKVVPLRPPPPPKSQASAKFTSIRREDRATFAFSPEEQQAQRESQKQKRHKNTFICFAITSFSFFIALAIILGISSKYAP
Prediction	CCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCSSSSSHHHHHHHHHHHHHHHHHCCCCC
Confidence	9878899998515469999988999988872431789999999999998899988876424795564418999998763041576424689999999999962124688
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MYATDSRGHSPAFLQPQNGNSRHPSGYVPGKVVPLRPPPPPKSQASAKFTSIRREDRATFAFSPEEQQAQRESQKQKRHKNTFICFAITSFSFFIALAIILGISSKYAP
Prediction	5646646443221031653756444221313314244445466545463554656444424244666445555545544431000011333333332111112346348
	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

                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCSSSSSHHHHHHHHHHHHHHHHHCCCCC
MYATDSRGHSPAFLQPQNGNSRHPSGYVPGKVVPLRPPPPPKSQASAKFTSIRREDRATFAFSPEEQQAQRESQKQKRHKNTFICFAITSFSFFIALAIILGISSKYAP

1mhsA3

0.09

3.48

0.67

CEthreader

LGTNIYNAERLGLGGGGDMPGSEVYDFVEAADGFAEVFPIAVEGSSDAARSAADIVFLAPGLGAIIDALKTSRQIFHRMYAYVVYRIALSIHLEIFLGLWIAILNRSLN

7cq5C

0.06

2.49

0.53

EigenThreader

AAGVSAAFGAPVGGVLFSLEEGAIFFASMISTFTLSPGLINFGRFDSEKMAYTIHEIPVFIAMGVVGGVLGAVFNALNYWLTMFRIRYCLQVIEAVLVAAVTATVAFVL

7c76B1

0.10

0.04

1.38

0.47

FFAS-3D

---------------------------------------------------------------EEEEERRYYRRKRLGVLKNVLAASAGGMLTYGVYLGLLQMQL----

6sriq1

0.18

0.14

4.49

0.82

SPARKS-K

------LLRQCPLLLPQNREGTAYEGFVSGRDFHIRILLPTDSQLKNALHGYQHIQRLHSCPDLVSFVVELKTILEIALKNTQELHVPWP-------------------

3mk4A

0.14

0.04

1.25

0.53

CNFpred

---------------------------------------------------------------------------------RSTVAVYSTCMLVVLLRVQLNIIGGYIY

5t58A

0.09

0.07

2.83

1.00

DEthreader

------AVNIMYKCAM------KYLMRIKGTAELEVDFDELYLRSIPSLENR-L---ATHTDTIEQKLQEIERQYQLNVMLRDRIQNTKELLTEVVQFKKKVIDLCDDT

5k47A1

0.06

0.05

2.05

0.87

MapAlign

FSVYNANINLFCVVRLLVEFPATGGVIPSWQFQPLKL---------------------IRYVTTFDFFLAACEIIFCFFIFYYVVEEILDVVIVVLSVVAIGINIYRTS

6sriq1

0.23

0.18

5.76

0.68

MUSTER

LR------QCPLLL-PQNREGTAYEGFVSGRDFHIRLLPTDSQLKNARIECSWHLKKILHGYQHILKQRLHSCP--------------DLVSFVVELKTILEIALKHVP

5zakA

0.10

3.69

0.47

HHsearch

IPKYTLEDYQDAVIIPRYRNFDQPHRFYVADVYTDLSKFPSPEQPLLDVDH--TSSRLNLLTPRAEKRKAKWES--LQNKQILVPIPASLWRKAVCLLTAEELRAQTTL

2gu0A2

0.06

2.73

0.49

CEthreader

SNDIVYQDSYFTITKLDYSNHKLLPLMADEYKITINTKTDIPDRNQTAFAAYIRYNFNKFAAISHLHSQLMSHAERLDRKIKSDKYDDGDMAFVHPGWKTCIGQLCGGT

(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	0.4898

(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	3v0aB4	0.56	3.98	0.070	0.862	model1_3v0aB4.pdb.gz
2	5x0mA	0.56	4.18	0.039	0.899	model1_5x0mA.pdb.gz
3	6lq8A	0.55	4.00	0.076	0.872	model1_6lq8A.pdb.gz
4	5tkyA	0.55	4.51	0.049	0.872	model1_5tkyA.pdb.gz
5	6pasB	0.55	3.89	0.041	0.844	model1_6pasB.pdb.gz
6	5gupl	0.55	4.21	0.038	0.890	model1_5gupl.pdb.gz
7	5e84A	0.54	4.30	0.041	0.844	model1_5e84A.pdb.gz
8	5xtcl	0.54	4.33	0.048	0.899	model1_5xtcl.pdb.gz
9	1rx0A	0.54	3.92	0.041	0.807	model1_1rx0A.pdb.gz
10	4he8L	0.54	4.43	0.133	0.908	model1_4he8L.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:0098641	1.00	cadherin binding involved in cell-cell adhesion

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:0009987	0.82	cellular process
GO:0044767	0.80	single-organism developmental process
GO:0044763	0.79	single-organism cellular process
GO:0016477	0.64	cell migration
GO:0060973	0.63	cell migration involved in heart development
GO:0003143	0.63	embryonic heart tube morphogenesis
GO:0065007	0.59	biological regulation
GO:0050789	0.55	regulation of biological process
GO:0050794	0.50	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:0070062	1.00	extracellular exosome
GO:0044425	0.64	membrane part
GO:0044464	0.60	cell part
GO:0016021	0.60	integral component of membrane
GO:0030054	0.58	cell junction
GO:0005913	0.56	cell-cell adherens junction

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	1qleA	0.489	4.09	0.051	0.752	1.9.3.1	NA
2	0.060	2yyjA	0.518	4.33	0.038	0.835	1.14.13.3	NA
3	0.060	1z0hB	0.317	5.50	0.065	0.670	3.4.24.69	NA
4	0.060	2jifA	0.475	4.84	0.050	0.862	1.3.99.-	66
5	0.060	3i9wA	0.475	3.96	0.010	0.716	2.7.13.3	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	3d9eD	0.535	4.41	0.056	0.899	0.17	N8C	complex1.pdb.gz	18,27,28
2	0.01	2c12A	0.541	4.17	0.038	0.862	0.12	FAD	complex2.pdb.gz	26,27,30,31,32,33,82,84,85
3	0.01	2c12C	0.540	4.19	0.048	0.862	0.13	FAD	complex3.pdb.gz	1,2,4,5,6,15,16,17
4	0.01	3d9eC	0.544	4.16	0.038	0.862	0.17	N8C	complex4.pdb.gz	26,32,33
5	0.01	2c0uA	0.545	4.15	0.048	0.862	0.28	UUU	complex5.pdb.gz	27,30,80,81
6	0.01	1u8vA	0.534	4.27	0.048	0.872	0.12	FAD	complex6.pdb.gz	26,30,33
7	0.01	1f5nA	0.521	4.40	0.089	0.853	0.21	GNP	complex7.pdb.gz	2,18,19,20,25,26,30
8	0.01	3d9dA	0.544	4.07	0.039	0.853	0.20	FAD	complex8.pdb.gz	26,27,28,29,37,38,79
9	0.01	3mpjF	0.536	4.26	0.050	0.844	0.12	FAD	complex9.pdb.gz	13,15,16,19,20
10	0.01	3mpjD	0.539	4.24	0.050	0.844	0.28	FAD	complex10.pdb.gz	15,17,18,85

	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.