D-I-TASSER Q7L622-D2

D-I-TASSER results for Q7L622-D2

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

Input Sequence in FASTA format

>Q7L622 (190 residues)
IPSYNILRSPCCKNAWFHRDCLQVQAINAGVFFFRCTICNNSDIFQKEMLRMGIHIPEKD
ASWELEENAYQELLQHYERCDVRRCRCKEGRDYNAPDSKWEIKRCQCCGSSGTHLACSSL
RSWEQNWECLECRGIIYNSGEFQKAKKHVLPNSNNVGITDCLLEESSPKLPRQSPGSQSK
DLLRQGSKFR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| IPSYNILRSPCCKNAWFHRDCLQVQAINAGVFFFRCTICNNSDIFQKEMLRMGIHIPEKDASWELEENAYQELLQHYERCDVRRCRCKEGRDYNAPDSKWEIKRCQCCGSSGTHLACSSLRSWEQNWECLECRGIIYNSGEFQKAKKHVLPNSNNVGITDCLLEESSPKLPRQSPGSQSKDLLRQGSKFR
Prediction	CCCCCSSSCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHCCCSCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCSHHHHCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCC
Confidence	9977718857889735589999999986487511288777634678888871503358785510153167776523355774234456653456677716898556689961212215898899975667550002788642111134567767777766766678976566785115677764213369
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| IPSYNILRSPCCKNAWFHRDCLQVQAINAGVFFFRCTICNNSDIFQKEMLRMGIHIPEKDASWELEENAYQELLQHYERCDVRRCRCKEGRDYNAPDSKWEIKRCQCCGSSGTHLACSSLRSWEQNWECLECRGIIYNSGEFQKAKKHVLPNSNNVGITDCLLEESSPKLPRQSPGSQSKDLLRQGSKFR
Prediction	6543520203015412002400441045223220301203547403520342002014473415344520453155465052640416634633474241101003211332213302514536740304303623566554564474445457514345242666546246534645345035435638
	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                 160                 180

                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCSSSCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHCCCSCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCSHHHHCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCC
IPSYNILRSPCCKNAWFHRDCLQVQAINAGVFFFRCTICNNSDIFQKEMLRMGIHIPEKDASWELEENAYQELLQHYERCDVRRCRCKEGRDYNAPDSKWEIKRCQCCGSSGTHLACSSLRSWEQNWECLECRGIIYNSGEFQKAKKHVLPNSNNVGITDCLLEESSPKLPRQSPGSQSKDLLRQGSKFR

1weqA

0.40

0.18

5.28

1.72

SPARKS-K

--------------------------------------------------------GSSGSSGELEPGAFSELYQRYRHCDAPICLYEQGRDSFEDEGRWRLILCATCGSHGTHRDCSSLRPNSKKWECNECLPASGPSSG-------------------------------------------------

1weqA

0.40

0.18

5.28

1.95

CNFpred

--------------------------------------------------------GSSGSSGELEPGAFSELYQRYRHCDAPICLYEQGRDSFEDEGRWRLILCATCGSHGTHRDCSSLRPNSKKWECNECLPASGPSSG-------------------------------------------------

1weqA

0.40

0.18

5.28

1.11

MUSTER

--------------------------------------------------------GSSGSSGELEPGAFSELYQRYRHCDAPICLYEQGRDSFEDEGRWRLILCATCGSHGTHRDCSSLRPNSKKWECNECLPASGPSSG-------------------------------------------------

1weqA

0.40

0.18

5.28

3.14

HHsearch

--------------------------------------------------------GSSGSSGELEPGAFSELYQRYRHCDAPICLYEQGRDSFEDEGRWRLILCATCGSHGTHRDCSSLRPNSKKWECNECLPASGPSSG-------------------------------------------------

5o6cA

0.09

0.08

3.26

0.49

CEthreader

ALSAAPAIQLDCSH-IFHLQCCRRVLENITFGFISCPICKNKINHIVLKDLLDPIKELYEDVRRKALMRLEYEGLHKSEAITTPGVRFYNDPAGYAMNRYAYYVCYKCR-KAYFGGEAGDDYDPRELICGACSDVSRAQMCPKHGTDFLEYKCRYCCSVAVFFCFGTTHFCNACHDDFQRMTSIPKEELP

5c1zA

0.09

0.08

3.03

0.48

EigenThreader

ATNSFYVYCGPCQRVQPGKLRV--QCSTCRQATLTLTQGPSCWDDVLIP--NRMSSPHCPGTSALHLIAT--------NSRNITCITCTDVR-------SPVLVFQCNSRHVICLDCFHLYCVPCVAGCPNSLILGEEQYNRYQQVLQMGGPRPGCGAGLLPEEYRVDERAAEQARWEATTKPCPRCHVP

1weqA

0.41

0.18

5.27

0.90

FFAS-3D

---------------------------------------------------------SSGSSGELEPGAFSELYQRYRHCDAPICLYEQGRDSFEDEGRWRLILCATCGSHGTHRDCSSLRPNSKKWECNECLPASGPSS--------------------------------------------------

5o6cA

0.18

0.16

5.33

0.94

SPARKS-K

ALSAAPAIQLDCSH-IFHLQCCRRVLENGPRITFSCPICKNRRKALMRLEYEGLHITTPGVRF--YNDPAGYAMNRYYKCRKAYFGGEAGDDYDVSRADFLEYKCRYCCSVAVF-FCFG-----TTHFCNACHDDFQRMTSIPKPHCPAGPKGKQLEGTECPLHVVHPPTGEEFALGCGVCRNAH-----

3v43A

0.20

0.09

2.85

1.19

CNFpred

--PEELISCADCG-NSGHPSCLKFLTVRVKALRWQCIECK-------------------------------------------TCSSCRDQGKN----ADNMLFCDSCD-RGFHMECCDPP-PKGMWICQICRPR-------------------------------------------------------

5l43A

0.02

1.45

0.83

DEthreader

---LHTASAVIVARIPLV-LPTGQPG--L--AELT------DRALRERIHRAEPWDWFYAEVLKYAIQMRPYFERVLRFHAALLY----GITNEGSQLGLFLGNNLFEETMEFGALHGGTVVEYPSQNEMAVWLSQKYNQGYKTEYATLDWWTFQFEALAVPRYYIWSEVDADTVDWFENGLRENG----

(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	0.5426

(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	5l43A	0.55	5.08	0.034	0.910	model1_5l43A.pdb.gz
2	1y7912	0.55	5.03	0.023	0.910	model1_1y7912.pdb.gz
3	4ka7A2	0.54	5.25	0.051	0.905	model1_4ka7A2.pdb.gz
4	1j36A	0.52	5.31	0.062	0.884	model1_1j36A.pdb.gz
5	6s1yA	0.52	5.39	0.034	0.900	model1_6s1yA.pdb.gz
6	2c6fA	0.52	5.35	0.057	0.884	model1_2c6fA.pdb.gz
7	2o3eA	0.51	5.40	0.057	0.895	model1_2o3eA.pdb.gz
8	3bkkA	0.51	5.38	0.057	0.895	model1_3bkkA.pdb.gz
9	2o36A	0.50	5.47	0.006	0.884	model1_2o36A.pdb.gz
10	3sksA2	0.49	5.71	0.044	0.905	model1_3sksA2.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:0003824	0.55	catalytic 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:0032502	0.92	developmental process
GO:0009987	0.92	cellular process
GO:0065007	0.85	biological regulation
GO:0044699	0.85	single-organism process
GO:0048856	0.77	anatomical structure development
GO:0044767	0.77	single-organism developmental process
GO:0071704	0.73	organic substance metabolic process
GO:0044238	0.72	primary metabolic process
GO:0043170	0.72	macromolecule metabolic process
GO:0044237	0.70	cellular metabolic process
GO:0050794	0.69	regulation of cellular process
GO:0044260	0.67	cellular macromolecule metabolic process
GO:0019538	0.67	protein metabolic process
GO:0044267	0.60	cellular protein metabolic process
GO:0006464	0.59	cellular protein modification process
GO:0048583	0.57	regulation of response to stimulus
GO:0070647	0.56	protein modification by small protein conjugation or removal
GO:0048523	0.56	negative regulation of cellular process
GO:1902531	0.55	regulation of intracellular signal transduction
GO:0032446	0.55	protein modification by small protein conjugation
GO:0016567	0.54	protein ubiquitination
GO:0000209	0.52	protein polyubiquitination
GO:2001243	0.50	negative regulation of intrinsic apoptotic signaling pathway
GO:0001824	0.50	blastocyst development

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:0043226	0.93	organelle
GO:0043229	0.92	intracellular organelle
GO:0044446	0.90	intracellular organelle part
GO:0044428	0.85	nuclear part
GO:0043227	0.83	membrane-bounded organelle
GO:0043231	0.82	intracellular membrane-bounded organelle
GO:0005634	0.74	nucleus
GO:0044430	0.69	cytoskeletal part
GO:0005815	0.67	microtubule organizing center
GO:0005654	0.64	nucleoplasm
GO:0044444	0.62	cytoplasmic part
GO:0016020	0.56	membrane
GO:0005737	0.53	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	3kx2B	0.413	6.00	0.029	0.779	3.6.4.13	NA
2	0.060	2f02A	0.411	5.68	0.058	0.742	2.7.1.144	NA
3	0.060	1jofA	0.423	5.16	0.071	0.705	5.5.1.5	NA
4	0.060	2o36A	0.498	5.47	0.006	0.884	3.4.24.15	NA
5	0.060	3bkkA	0.509	5.38	0.057	0.895	3.4.15.1	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	3l3nA	0.516	5.40	0.057	0.895	0.11	LSW	complex1.pdb.gz	77,109,114
2	0.01	1fw6B	0.431	5.66	0.030	0.768	0.18	QNA	complex2.pdb.gz	104,105,106,111,112
3	0.01	1ng9A	0.444	5.72	0.030	0.800	0.15	QNA	complex3.pdb.gz	19,29,52
4	0.01	2c6nB	0.513	5.29	0.057	0.879	0.11	LPR	complex4.pdb.gz	94,100,102
5	0.01	3ahnA	0.504	5.43	0.045	0.900	0.10	3A1	complex5.pdb.gz	24,25,28,31,134,137
6	0.01	1oh8A	0.443	5.86	0.048	0.810	0.25	QNA	complex6.pdb.gz	102,112,114
7	0.01	1nneA	0.437	5.90	0.024	0.805	0.13	UUU	complex7.pdb.gz	61,62,63,64
8	0.01	1j36A	0.521	5.31	0.062	0.884	0.17	LPR	complex8.pdb.gz	20,109,113
9	0.01	1oh6B	0.432	5.74	0.018	0.779	0.24	QNA	complex9.pdb.gz	101,103,115,116
10	0.01	1fw6A	0.434	5.82	0.024	0.784	0.28	ADP	complex10.pdb.gz	30,31,32,45,46,47,48,49

	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.