D-I-TASSER Q96RK4-D1

D-I-TASSER results for Q96RK4-D1

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

Input Sequence in FASTA format

>Q96RK4 (149 residues)
MAEERVATRTQFPVSTESQKPRQKKAPEFPILEKQNWLIHLHYIRKDYEACKAVIKEQLQ
ETQGLCEYAIYVQALIFRLEGNIQESLELFQTCAVLSPQSADNLKQVARSLFLLGKHKAA
IEVYNEAAKLNQKDWEISHNLGVCYIYLK

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAEERVATRTQFPVSTESQKPRQKKAPEFPILEKQNWLIHLHYIRKDYEACKAVIKEQLQETQGLCEYAIYVQALIFRLEGNIQESLELFQTCAVLSPQSADNLKQVARSLFLLGKHKAAIEVYNEAAKLNQKDWEISHNLGVCYIYLK
Prediction	CCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCC
Confidence	95215677653166787634766314579835788789999998079999999999999978896199999999999990999999999999998599999999999999999199999999999999859999999999999999729
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAEERVATRTQFPVSTESQKPRQKKAPEFPILEKQNWLIHLHYIRKDYEACKAVIKEQLQETQGLCEYAIYVQALIFRLEGNIQESLELFQTCAVLSPQSADNLKQVARSLFLLGKHKAAIEVYNEAAKLNQKDWEISHNLGVCYIYLK
Prediction	75455456446454445455544543672542542210023114453164026104500652474132001110101354652640161044016123720400220030034265164016104401713372140021102003428
	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

CCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCC
MAEERVATRTQFPVSTESQKPRQKKAPEFPILEKQNWLIHLHYIRKDYEACKAVIKEQLQETQGLCEYAIYVQALIFRLEGNIQESLELFQTCAVLSPQSADNLKQVARSLFLLGKHKAAIEVYNEAAKLNQKDWEISHNLGVCYIYLK

5o09C

0.12

0.11

4.04

1.33

DEthreader

------QKEGDFKAELYREAFRAELQDPDLLTGIYSLLAHLYDRWGRMDKAAEFYELALKISAEEVATIKNNLAMIFKQLRKFERAEGYYCEALETFQEVASVYNNLGVLYYSHMDVDRAQVMHERALAIRQPLSQTFINLGAVYKAAG

4ui9C3

0.11

3.87

1.58

SPARKS-K

FSNLLYVRS-MKSELSYLAHNLCEIDKYRV--ETCCVIGNYYSLRSQHEKAALYFQRALKLN-PRYLGAWTLMGHEYMEMKNTSAAIQAYRHAIEVNKRDYRAWYGLGQTYEILKMPFYCLYYYRRAHQLRPNDSRMLVALGECYEKLN

3sz7A

0.14

0.11

3.89

0.50

MapAlign

---------------------------PTPESDKLKSEGNAAMARKEYSKAIDLYTQALSIAP-ANPIYLSNRAAAYSASGQHEKAAEDAELATVVDPKYSKAWSRLGLARFDMADYKGAKEAYEKGIEAENGGDAMKRGLETTKRKI-

3sz7A

0.13

0.11

3.93

0.31

CEthreader

---------------------GPRSMAPTPESDKLKSEGNAAMARKEYSKAIDLYTQALSIA-PANPIYLSNRAAAYSASGQHEKAAEDAELATVVDPKYSKAWSRLGLARFDMADYKGAKEAYEKGIEAEGGSDAMKRGLETTKRKIE

3vtxA

0.16

0.15

5.14

1.16

MUSTER

IG-DKKRTKGDFDGAIRAYKKVLKADPNN--VETLLKLGKTYMDIGLPNDAIESLKKFVVLDT-TSAEAYYILGSANFMIDEKQAAIDALQRAIALNTVYADAYYKLGLVYDSMGEHDKAIEAYEKTISIKPGFIRAYQSIGLAYEGKG

3pe3A

0.16

0.15

5.14

0.60

HHsearch

LANIK-REQGNIEEAVRLYRKALEVFPEFAAAHSNLASVLQQ--QGKLQEALMHYKEAIRI-SPTFADAYSNMGNTLKEMQDVQGALQCYTRAIQINPAFADAHSNLASIHKDSGNIPEAIASYRTALKLKPDFPDAYCNLAHCLQIVC

6vfjB

0.21

0.17

5.32

2.10

FFAS-3D

------------------------------EAELAYLLGELAYKLGEYRIAIRAYRIALKRDPNNAE-AWYNLGNAYYKQGRYREAIEYYQKALELDPNNAEAWYNLGNAYYERGEYEEAIEYYRKALRLDPNNADAMQNLLNAKMREE

6bk8T

0.08

3.16

0.57

EigenThreader

DVYKKGQKDILDLEELREYQRRKRTEYEGYLKRNWIRYAQFEIEQHDMRRARSIFERALLVD-SSFIPLWIRYIDAELKVKCINHARNLMNRAISTLPRVDKLWYKYLIVEESLNNVEIVRSLYTKWCSL-EPGVNAWNSFVDFEIRQK

5lfmA

0.14

0.13

4.60

1.13

CNFpred

NISQRCLRRGSPEEALRFLKLWARHEKNDPEPLYQMGIALANL--GDYQRAVTVFDKVLKLR-PNHFMASYRKGAVLLKIKQYKLALPVLEAVVAAAPADARAYYLLGLAYDGDEQLEKGIEAMQKAVDLDPEEIKYHQHLGFMNVRKD

4bujB

0.10

3.70

1.33

DEthreader

DDNVSIACKFLILAKYSVSDQKF-TDIGTVRASYWYNIGISELTAFYRDAAIFAFKKSIQLQ-SNTSETWIGLGIATM-DINFRVSQHCFIKATALEPKATNTWFNLAMLGLKKKDTEFAQQVLNKLQSLAPQDSSPWLGMALILEEQG

(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	0.8318

(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	5o09C	0.90	1.77	0.114	1.000	model1_5o09C.pdb.gz
2	4ui9C	0.88	1.80	0.137	0.980	model1_4ui9C.pdb.gz
3	3q15A	0.87	2.30	0.128	1.000	model1_3q15A.pdb.gz
4	1w3bA	0.87	2.06	0.151	0.980	model1_1w3bA.pdb.gz
5	3sf4A	0.86	2.05	0.154	1.000	model1_3sf4A.pdb.gz
6	5z2cA	0.85	2.10	0.095	0.993	model1_5z2cA.pdb.gz
7	6vbu4	0.85	2.01	0.104	0.966	model1_6vbu4.pdb.gz
8	3txmA	0.85	2.26	0.121	1.000	model1_3txmA.pdb.gz
9	4eqfA	0.84	2.70	0.116	0.973	model1_4eqfA.pdb.gz
10	4a1sA	0.84	2.34	0.148	1.000	model1_4a1sA.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:0003777	0.97	microtubule motor activity
GO:0034452	0.52	dynactin 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	0.95	cellular process
GO:0006996	0.89	organelle organization
GO:0044699	0.71	single-organism process
GO:0051179	0.70	localization
GO:0065007	0.69	biological regulation
GO:0051641	0.69	cellular localization
GO:0050789	0.68	regulation of biological process
GO:0050794	0.67	regulation of cellular process
GO:0044763	0.67	single-organism cellular process
GO:0032502	0.64	developmental process
GO:0044767	0.63	single-organism developmental process
GO:1902589	0.61	single-organism organelle organization
GO:0070925	0.61	organelle assembly
GO:0048646	0.61	anatomical structure formation involved in morphogenesis
GO:0030030	0.61	cell projection organization
GO:0042384	0.60	cilium assembly
GO:0048856	0.59	anatomical structure development
GO:1902578	0.58	single-organism localization
GO:0048583	0.58	regulation of response to stimulus
GO:0044707	0.58	single-multicellular organism process
GO:0008152	0.58	metabolic process
GO:0009653	0.57	anatomical structure morphogenesis
GO:0071704	0.56	organic substance metabolic process
GO:0044238	0.56	primary metabolic process
GO:0044237	0.56	cellular metabolic process
GO:0044260	0.54	cellular macromolecule metabolic process
GO:0051297	0.53	centrosome organization

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:0044444	1.00	cytoplasmic part
GO:0044446	0.98	intracellular organelle part
GO:0043226	0.97	organelle
GO:0000242	0.94	pericentriolar material
GO:0043229	0.93	intracellular organelle
GO:0005929	0.89	cilium
GO:0005815	0.88	microtubule organizing center
GO:0005813	0.83	centrosome
GO:0034451	0.82	centriolar satellite
GO:0044441	0.57	ciliary part
GO:0032991	0.56	macromolecular complex
GO:0043234	0.55	protein complex
GO:0016020	0.54	membrane
GO:0034464	0.51	BBSome

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	0.080	1tjcA	0.524	2.14	0.135	0.591	1.14.11.2	90,111,141
2	0.066	1klxA	0.533	3.72	0.058	0.772	3.5.2.6	104
3	0.060	2eabA	0.602	4.13	0.078	0.933	3.2.1.63	NA
4	0.060	1fo2A	0.637	3.50	0.069	0.933	3.2.1.113	109
5	0.060	2ri9B	0.650	3.61	0.063	0.940	3.2.1.113	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	0.34	3cvnA	0.834	2.46	0.089	0.973	0.68	III	complex1.pdb.gz	105,106,109,112,113,124,136,139,140,143
2	0.16	3iqvA	0.717	3.16	0.105	0.960	0.56	FSC	complex2.pdb.gz	75,78,79,105,142
3	0.14	1ywtB	0.736	3.09	0.098	0.960	0.51	III	complex3.pdb.gz	71,78,79,105,106,109,113,136,139,142,143,146
4	0.14	1qz2A	0.765	2.23	0.081	0.859	0.53	III	complex4.pdb.gz	113,140,143
5	0.07	3hymF	0.839	2.24	0.158	0.980	0.53	III	complex5.pdb.gz	4,33,36,37,71,72,75,78,79,83,100,102,103,105,109,112,113,135,136,139,140,143

	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.