D-I-TASSER O75679-D1

D-I-TASSER results for O75679-D1

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

Input Sequence in FASTA format

>O75679 (115 residues)
MKRLSLVTTNRLSPQGNFLPLCTFPLAVDMAALFQEASSCPVCSDYLEKPMSLECGCTVC
LKCINSLQKEPHGEDLLCCCCSMVSQRNKIRPNRQLERLVSHIKELEPKLKKILQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MKRLSLVTTNRLSPQGNFLPLCTFPLAVDMAALFQEASSCPVCSDYLEKPMSLECGCTVCLKCINSLQKEPHGEDLLCCCCSMVSQRNKIRPNRQLERLVSHIKELEPKLKKILQ
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCSCHHHCHHCCCCSSCCCCCHHHHHHHHHHHHCHCCCCCCCCCCCCSCCCCCCCCCHHHHHHHHHHHHHCHHHHHHCC
Confidence	9844665555547887666766543553799998981128314213068652389975789999999972168877799887725732387228999999999997447777529
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MKRLSLVTTNRLSPQGNFLPLCTFPLAVDMAALFQEASSCPVCSDYLEKPMSLECGCTVCLKCINSLQKEPHGEDLLCCCCSMVSQRNKIRPNRQLERLVSHIKELEPKLKKILQ
Prediction	6542423355544554433414444334622540472033203333154114044242323520441055467452311213541567604303204400530462475356538
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCSCHHHCHHCCCCSSCCCCCHHHHHHHHHHHHCHCCCCCCCCCCCCSCCCCCCCCCHHHHHHHHHHHHHCHHHHHHCC
MKRLSLVTTNRLSPQGNFLPLCTFPLAVDMAALFQEASSCPVCSDYLEKPMSLECGCTVCLKCINSLQKEPHGEDLLCCCCSMVSQRNKIRPNRQLERLVSHIKELEPKLKKILQ

1jm7A

0.15

0.13

4.37

1.17

DEthreader

------M--D-------LSALR-VEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQ-KKGPSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDTG

1z6uA

0.18

0.17

5.40

1.97

SPARKS-K

PQQQHLIREDCQNQKLWDEVLSHLVEGPNFLKKLEQSFMCVCCQELVYQPVTTECFHNVCKDCLQRSFKA---QVFSCPACRHDLGQNIMIPNEILQTLLDLFFPGYSKGR----

1jm7A

0.17

0.14

4.58

0.82

MapAlign

------------------LSALRVEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQKKG-PSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDT-

1jm7A

0.16

0.14

4.61

0.62

CEthreader

----------------MDLSALRVEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQKKG-PSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDTG

1jm7A

0.15

0.13

4.37

1.78

MUSTER

----------------MDLSALRVEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQ-KKGPSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDTG

7bbdB

0.25

0.23

7.26

1.21

HHsearch

QQRLIFEDGLSDYKESTLHLVLRAMASAARLTMMWEEVTCPICLDPFVEPVSIECGHSFCQECISQVGKGG---GSVCPVCRQRFLLKNLRPNRQLANMVNNLKEISQE------

7jzvA1

0.16

0.12

4.07

1.48

FFAS-3D

----------------------RVEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQ-KKGPSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLD--

2h0dB

0.19

0.17

5.31

1.07

EigenThreader

KTWELSLYELQRTPQEAITDGLEIVVSPRSLHSE---LMCPICLDMLKNTMTTECLHRFCADCIITALRS---GNKECPTCRKKLVSKRSLPDPNFDALISKIY-----------

5olmA

0.30

0.22

6.59

1.37

CNFpred

---------------------GSHMASAARLTMMWEEVTCPICLDPFVEPVSIECGHSFCQECISQVGK------SVCPVCRQRFLLKNLRPNRQLANMVNNLKEISQEA-----

7jzvA1

0.16

0.13

4.34

1.17

DEthreader

-------------------ALR-VEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQ-KKGPSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDTG

(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	0.726

(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	1jm7A	0.71	1.60	0.143	0.791	model1_1jm7A.pdb.gz
2	7jzvA	0.69	1.81	0.160	0.791	model1_7jzvA.pdb.gz
3	2y43A	0.67	1.51	0.184	0.730	model1_2y43A.pdb.gz
4	5olmA	0.66	1.79	0.287	0.730	model1_5olmA.pdb.gz
5	6yxeA	0.65	1.87	0.270	0.748	model1_6yxeA.pdb.gz
6	6wi7A	0.65	3.26	0.150	0.817	model1_6wi7A.pdb.gz
7	7bbdB2	0.65	1.69	0.298	0.713	model1_7bbdB2.pdb.gz
8	4wz3B	0.65	2.34	0.117	0.783	model1_4wz3B.pdb.gz
9	4b7yC	0.63	2.80	0.200	0.800	model1_4b7yC.pdb.gz
10	1z6uA	0.63	3.30	0.170	0.817	model1_1z6uA.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	0.91	catalytic activity
GO:0004842	0.84	ubiquitin-protein transferase activity
GO:0046872	0.69	metal ion binding
GO:0008270	0.67	zinc ion binding
GO:1901363	0.64	heterocyclic compound binding
GO:0097159	0.64	organic cyclic compound binding
GO:0019899	0.60	enzyme binding
GO:0016874	0.57	ligase activity
GO:0003676	0.56	nucleic acid binding
GO:0019900	0.54	kinase binding
GO:0004871	0.54	signal transducer activity
GO:0004872	0.50	receptor 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	0.97	cellular process
GO:0071704	0.92	organic substance metabolic process
GO:0044238	0.92	primary metabolic process
GO:0044237	0.91	cellular metabolic process
GO:0043170	0.91	macromolecule metabolic process
GO:0044260	0.90	cellular macromolecule metabolic process
GO:0065007	0.88	biological regulation
GO:0050789	0.87	regulation of biological process
GO:0019538	0.87	protein metabolic process
GO:0050794	0.86	regulation of cellular process
GO:0044267	0.84	cellular protein metabolic process
GO:0006464	0.83	cellular protein modification process
GO:0016567	0.81	protein ubiquitination
GO:0060255	0.78	regulation of macromolecule metabolic process
GO:0080090	0.77	regulation of primary metabolic process
GO:0031323	0.77	regulation of cellular metabolic process
GO:0048518	0.75	positive regulation of biological process
GO:0048522	0.73	positive regulation of cellular process
GO:0044699	0.70	single-organism process
GO:0010468	0.69	regulation of gene expression
GO:0032268	0.67	regulation of cellular protein metabolic process
GO:0019219	0.67	regulation of nucleobase-containing compound metabolic process
GO:0009893	0.67	positive regulation of metabolic process
GO:2001141	0.66	regulation of RNA biosynthetic process
GO:0031325	0.66	positive regulation of cellular metabolic process
GO:0010604	0.66	positive regulation of macromolecule metabolic process
GO:0048583	0.65	regulation of response to stimulus
GO:0044763	0.65	single-organism cellular process
GO:0016043	0.65	cellular component organization
GO:0006355	0.65	regulation of transcription, DNA-templated
GO:0048519	0.64	negative regulation of biological process
GO:0032270	0.64	positive regulation of cellular protein metabolic process
GO:0065009	0.63	regulation of molecular function
GO:0050896	0.63	response to stimulus
GO:0048523	0.63	negative regulation of cellular process
GO:0009966	0.63	regulation of signal transduction
GO:0031399	0.62	regulation of protein modification process
GO:0048584	0.61	positive regulation of response to stimulus
GO:0044093	0.61	positive regulation of molecular function
GO:0043933	0.61	macromolecular complex subunit organization
GO:0006950	0.60	response to stress
GO:1902531	0.59	regulation of intracellular signal transduction
GO:0080134	0.59	regulation of response to stress
GO:0031401	0.59	positive regulation of protein modification process
GO:0009967	0.59	positive regulation of signal transduction
GO:0051090	0.58	regulation of sequence-specific DNA binding transcription factor activity
GO:0002682	0.58	regulation of immune system process
GO:1902533	0.57	positive regulation of intracellular signal transduction
GO:0051091	0.57	positive regulation of sequence-specific DNA binding transcription factor activity
GO:0050776	0.57	regulation of immune response
GO:0043122	0.57	regulation of I-kappaB kinase/NF-kappaB signaling
GO:0022607	0.57	cellular component assembly
GO:0001932	0.57	regulation of protein phosphorylation
GO:0000209	0.57	protein polyubiquitination
GO:0051865	0.56	protein autoubiquitination
GO:0050778	0.56	positive regulation of immune response
GO:0006461	0.56	protein complex assembly
GO:0001934	0.56	positive regulation of protein phosphorylation
GO:0051092	0.55	positive regulation of NF-kappaB transcription factor activity
GO:0043410	0.55	positive regulation of MAPK cascade
GO:0051716	0.53	cellular response to stimulus
GO:0034641	0.53	cellular nitrogen compound metabolic process
GO:0002376	0.53	immune system process
GO:0034622	0.52	cellular macromolecular complex assembly
GO:0033554	0.52	cellular response to stress
GO:0030162	0.52	regulation of proteolysis
GO:0007165	0.52	signal transduction
GO:0006139	0.52	nucleobase-containing compound metabolic process
GO:0051259	0.50	protein oligomerization
GO:0051239	0.50	regulation of multicellular organismal process
GO:0051179	0.50	localization
GO:0045862	0.50	positive regulation of proteolysis
GO:0032880	0.50	regulation of protein localization
GO:0007166	0.50	cell surface receptor signaling pathway

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:0043227	0.88	membrane-bounded organelle
GO:0043231	0.86	intracellular membrane-bounded organelle
GO:0044422	0.83	organelle part
GO:0032991	0.83	macromolecular complex
GO:0044446	0.82	intracellular organelle part
GO:0005634	0.80	nucleus
GO:0044428	0.72	nuclear part
GO:0044444	0.67	cytoplasmic part
GO:0005737	0.66	cytoplasm
GO:0043234	0.60	protein complex
GO:0043232	0.51	intracellular non-membrane-bounded organelle

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	1pgjA	0.453	4.22	0.072	0.791	1.1.1.44	NA
2	0.060	3c7aA	0.452	4.32	0.093	0.756	1.5.1.11	NA
3	0.060	1f05A	0.460	3.50	0.080	0.687	2.2.1.2	NA
4	0.060	1jrpB	0.489	4.52	0.028	0.861	1.17.1.4	NA
5	0.060	1rm6A	0.390	4.39	0.065	0.617	1.3.99.20	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:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.23	2y43A	0.672	1.51	0.184	0.730	0.81	ZN	complex1.pdb.gz	53,56,78,81
	2	0.18	2cklA	0.589	1.92	0.167	0.661	0.80	ZN	complex2.pdb.gz	55,79,81

	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.