D-I-TASSER Q6ZN28-D3

D-I-TASSER results for Q6ZN28-D3

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

Input Sequence in FASTA format

>Q6ZN28 (167 residues)
LAEVTIACKVNHQGGSVQLPESDITVHVPQGHVAVGEFQEVSLRAFLDPPHMLNHDLSCT
VSPLLEIMLGNLNTMEALLLEMKIGAEVRKDPFSQVMTEMVCLHSLGKEGPFKVLSNCYI
YKDTIQVKLIDLSQVMYLVVAAQAKALPSPAATIWDYIHKTTSIGIY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| LAEVTIACKVNHQGGSVQLPESDITVHVPQGHVAVGEFQEVSLRAFLDPPHMLNHDLSCTVSPLLEIMLGNLNTMEALLLEMKIGAEVRKDPFSQVMTEMVCLHSLGKEGPFKVLSNCYIYKDTIQVKLIDLSQVMYLVVAAQAKALPSPAATIWDYIHKTTSIGIY
Prediction	CCCSSSSSSSCCCCCSSSCCCCCSSSSCCCCCCCCCCSSSSSSSSSCCCCHHHCCCCCSSSCSSSSSSSCCCCCCCCSSSSSSSSSSSCCCCCCCSSSSSSSSSSCCCCCCCSSCCCCSSSCCSSSSSSCCCCCSSSSSSSSSSCCCCCCCCCHHHHHCCSSSSSSC
Confidence	97337999964899637658987279758887899951699988531899343899632451059999647544552799999878972686400133699998379889953726605754479999478874479999997312468853066641617999869
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| LAEVTIACKVNHQGGSVQLPESDITVHVPQGHVAVGEFQEVSLRAFLDPPHMLNHDLSCTVSPLLEIMLGNLNTMEALLLEMKIGAEVRKDPFSQVMTEMVCLHSLGKEGPFKVLSNCYIYKDTIQVKLIDLSQVMYLVVAAQAKALPSPAATIWDYIHKTTSIGIY
Prediction	75534120314474331403557131312543145553441203011421461446330202120304044462452030103131414644334322302002134672325404412223210203055243110000003055244323200320444110036
	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 DeepPotential. 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                 160

                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCSSSSSSSCCCCCSSSCCCCCSSSSCCCCCCCCCCSSSSSSSSSCCCCHHHCCCCCSSSCSSSSSSSCCCCCCCCSSSSSSSSSSSCCCCCCCSSSSSSSSSSCCCCCCCSSCCCCSSSCCSSSSSSCCCCCSSSSSSSSSSCCCCCCCCCHHHHHCCSSSSSSC
LAEVTIACKVNHQGGSVQLPESDITVHVPQGHVAVGEFQEVSLRAFLDPPHMLNHDLSCTVSPLLEIMLGNLNTMEALLLEMKIGAEVRKDPFSQVMTEMVCLHSLGKEGPFKVLSNCYIYKDTIQVKLIDLSQVMYLVVAAQAKALPSPAATIWDYIHKTTSIGIY

3g5bA

0.12

0.11

3.81

1.17

DEthreader

--PGSSVSGTFGLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKESTLPLSEGSQTVLSPSVTCGPTGL-LLCRPVVLTVPHCAEVI----AGDWIFQLKTQAHQGHWEEVVTCYCQLEASCHILLD-Q--LGTYVFTGESYSRS--AV-KRLQEDTPA----D

3g5bA1

0.19

0.17

5.43

1.10

SPARKS-K

-PGSSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTESLPLSEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVIAGD-----WIFQLKTQAHQ-GHWEEVVYCQLEAKSCHILLDQLGTYVFTGEAIFAPALCT---------SLEYSLRVY

3g5bA

0.16

0.14

4.75

1.05

MapAlign

----SVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTSTLPLSEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVI-----AGDWIFQLKTQAHQGHWEEVC-YCQLEAKSCHILLDQL---GTYVFTGESYSRS--------AVKRLTPAWEA

4d8oA3

0.16

0.13

4.38

0.97

CEthreader

FSGFLVSFMVDARGGAMRGRHNGLRIIIPPRKCT--APTRVTCRLVKLATMPPMVEGEGLASRLIEVGPSGAQFLGPVIVEIPHFAALR-----GKERELVVLRSENGDS-WKEHFCDYGMDEKRICRIITRDFPQYFAVVSRIK----------------------

3g5bA1

0.17

0.15

4.93

1.04

MUSTER

-PGSSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTESTLPLEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVIAGDW------IFQLKTQAHQGHWEEVVTCQLEAKSCHILLDQL--GTYVFTGESYSRS----------AVKRLQLAIF

3g5bA1

0.16

0.14

4.60

3.59

HHsearch

-PGSSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTESPLS-EGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVIAGDW-----IFQLKTQA-HQGHWEEVVTCQLEAKSCHILLDQLGTYVFT---GESYS---------RSAVKRLQLAIF

3g5bA1

0.18

0.16

5.08

1.07

FFAS-3D

---SSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTESLPLSEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVIAGDW------IFQLKTQAHQGHWEEVVTCQLEAKSCHILLDQL--GTYVFTGESYSRS----------AVKRLQLAIF

3g5bA

0.13

0.11

3.96

0.87

EigenThreader

-PGSSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGFYDLYLRINKTESTLPLSEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCA---EVIA--GDWIFQLKTQAHQG---HTLTPCQLEAKSCHILLDQL--GTYVFTGE-SYSRSA-------VKRLQLAIFAP

3g5bA

0.17

0.15

4.93

1.63

CNFpred

-PGSSVSGTFGCLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKTESTLPLEGSQTVLSPSVTCGPTGLLLCRPVVLTVPHCAEVIAGD-----WIFQLKTQAH-QGHWEEVTPCYCQLESCHILLD---QLGTYVFTGESYSR---------SAVKRLQLAIF

3g5bA1

0.12

0.11

3.80

1.00

DEthreader

--PGSSVSGTFGLGGRLTIPGTGVSLLVPNGAIPQGKFYDLYLRINKESTLPLSEGSQTVLSPSVTCGPTGL-LLCRPVVLTVPHCAEVI----AGDWIFQLKTQAHQGHWEEVVTCYCQLEASCHILLD-Q--LGTYVFTGESYSRS--AV-KRLQEDTPA-----

(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	0.7349

(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 DeepPotential, 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	3g5bA	0.81	2.13	0.171	0.898	model1_3g5bA.pdb.gz
2	4d8oA	0.75	2.95	0.121	0.922	model1_4d8oA.pdb.gz
3	3ud1A	0.70	2.46	0.136	0.820	model1_3ud1A.pdb.gz
4	3kbtC	0.66	2.69	0.143	0.778	model1_3kbtC.pdb.gz
5	2kxrA	0.47	2.89	0.157	0.563	model1_2kxrA.pdb.gz
6	3i9fB	0.31	5.26	0.032	0.515	model1_3i9fB.pdb.gz
7	1tz0A	0.30	4.18	0.092	0.437	model1_1tz0A.pdb.gz
8	2gf5A	0.28	5.52	0.037	0.509	model1_2gf5A.pdb.gz
9	2of5L	0.25	4.90	0.069	0.407	model1_2of5L.pdb.gz
10	3mopA	0.24	4.83	0.000	0.407	model1_3mopA.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:0005092	1.00	GDP-dissociation inhibitor activity

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	0.96	cellular process
GO:0050794	0.94	regulation of cellular process
GO:0048583	0.91	regulation of response to stimulus
GO:0034613	0.91	cellular protein localization
GO:0048523	0.90	negative regulation of cellular process
GO:0048522	0.90	positive regulation of cellular process
GO:0009966	0.90	regulation of signal transduction
GO:0048585	0.89	negative regulation of response to stimulus
GO:0009968	0.88	negative regulation of signal transduction
GO:0071230	0.87	cellular response to amino acid stimulus
GO:0061462	0.87	protein localization to lysosome
GO:0034260	0.87	negative regulation of GTPase activity
GO:0032007	0.87	negative regulation of TOR signaling
GO:0030308	0.87	negative regulation of cell growth
GO:0010508	0.87	positive regulation of autophagy
GO:0008285	0.87	negative regulation of cell proliferation
GO:0044699	0.62	single-organism 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:0005737	1.00	cytoplasm

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	1q9hA	0.485	4.50	0.069	0.784	3.2.1.91	NA
2	0.060	2w5fB	0.464	3.79	0.078	0.665	3.2.1.8	NA
3	0.060	1pmjX	0.488	3.95	0.073	0.707	3.2.1.78	10
4	0.060	1flcC	0.471	4.65	0.063	0.754	3.1.1.53	NA
5	0.060	1kgyA	0.473	4.18	0.075	0.695	2.7.10.1	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:

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	1q2eB	0.486	4.09	0.103	0.754	0.24	UUU	complex1.pdb.gz	14,17,32
2	0.01	1pmhX	0.483	3.94	0.074	0.701	0.19	UUU	complex2.pdb.gz	7,11,14,36,42
3	0.01	1shw1	0.481	3.92	0.085	0.695	0.29	III	complex3.pdb.gz	15,70,166
4	0.01	2qbxA	0.479	3.97	0.077	0.689	0.28	III	complex4.pdb.gz	24,25,26,27,29,66,67,68,69
5	0.01	1urxA	0.492	4.31	0.069	0.772	0.22	UUU	complex5.pdb.gz	11,15,68,70,165
6	0.01	2rfzD	0.490	4.10	0.094	0.760	0.11	CTR	complex6.pdb.gz	64,103,105,112,115
7	0.01	2rfyD	0.488	4.12	0.094	0.760	0.21	CBI	complex7.pdb.gz	15,18,28
8	0.01	2v3iA	0.485	4.15	0.110	0.760	0.12	XX6	complex8.pdb.gz	5,14,18
9	0.01	1dy4A	0.484	4.11	0.103	0.754	0.13	SNP	complex9.pdb.gz	7,14,16,19
10	0.01	1urxA	0.492	4.31	0.069	0.772	0.17	UUU	complex10.pdb.gz	13,15,17,37,68

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.