D-I-TASSER P01137-D2

D-I-TASSER results for P01137-D2

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

Input Sequence in FASTA format

>P01137 (156 residues)
EVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQ
HVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCD
SRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMA

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| EVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMA
Prediction	CCSSSCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCSSSSSSSSSSSCCCCCCCSSSSSSSCCCCCCCSSSSSSSCCCCCCCSSSSSCHHHHHHHHHCCCCCCSSSSSSSCCCCCCCCSSSSSSSCCCCCCCCCHHHHHHCCCCSSSSCC
Confidence	934652412444211356788761899996441202489852153143454664788541168889806998625778994378876369997418999998589986238999971899987457889843455777996786113797698639
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| EVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMA
Prediction	844615235435523544675443130202023046524553203301020144445563213004314665421022330336455412314034004403756654210202021617665643404044144665244641573420000238
	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

CCSSSCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCSSSSSSSSSSSCCCCCCCSSSSSSSCCCCCCCSSSSSSSCCCCCCCSSSSSCHHHHHHHHHCCCCCCSSSSSSSCCCCCCCCSSSSSSSCCCCCCCCCHHHHHHCCCCSSSSCC
EVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMA

3rjrA1

0.71

0.64

18.21

1.17

DEthreader

KEVTRVLMVEGNQIYDKFKGTPHSLYMLFNTSELREAV-PEPLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCS--HVEI-NGDLATIH---------GM---NRPFLLLMA

3rjrA1

0.89

0.85

23.80

1.71

SPARKS-K

EVTRVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCSCDSKDNTLHVEIN-------GDLATIHGMNRPFLLLMA

4ycgA

0.16

0.14

4.67

0.95

MapAlign

IVRSFSVEDAISTAATEDFPF-QKHILIFNI-----SIPRHEQITRAELRLYVSCQGLEGSMVVYDVLATGTKTFLVSQDIRD---EGWETLEVSSAVKRWVDSTTNKNKLEVTVQSHRE-SCDTLDI------------SVPPGSKNLPFFVVFS

5hlyA2

0.18

0.15

4.81

1.10

CEthreader

SEIITFAESGTA-----------RKTLHFEISK---EGSDLSVVERAEVWLFLKVPKTKVTIRLFQQQKHERELLLSEKVVDARK-STWHVFPVSSSIQRLLDQGKSSLDVRIACEQCQ---ESGASLVLLGE---------EKEQSHRPFLLQAR

3rjrA1

0.89

0.85

23.80

1.44

MUSTER

EVTRVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCSCDSKDNTLHVEIN-------GDLATIHGMNRPFLLLMA

3rjrA1

0.86

0.81

22.93

3.51

HHsearch

EVTRVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLASD-SPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCSCDSKDNTLHVEINGDL-------ATIHGMNRPFLLLMA

3rjrA1

0.88

0.84

23.63

1.77

FFAS-3D

EVTRVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCSCDSKDNTLHVEI-------NGDLATIHGMNRPFLLLMA

3rjrA1

0.76

0.71

19.96

1.05

EigenThreader

AKERVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHKD----NTLHVEIN----GDLATIH----GMNRPFLLLMA

3rjrA

0.89

0.85

23.80

2.19

CNFpred

EVTRVLMVESGNQIYDKFKGTPHSLYMLFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCSCDSKDNTLHVEIN-------GDLATIHGMNRPFLLLMA

3rjrA

0.71

0.64

18.21

1.17

DEthreader

KEVTRVLMVEGNQIYDKFKGTPHSLYMLFNTSELREAV-PEPLLSRAELRLLRLKLKVEQHVELYQKYSQDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCS--HVEI-NGDLATIH---------GM---NRPFLLLMA

(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	0.8044

(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	3rjrA1	0.84	1.64	0.847	0.891	model1_3rjrA1.pdb.gz
2	4ycgA	0.70	2.46	0.164	0.821	model1_4ycgA.pdb.gz
3	5ntuA2	0.69	2.26	0.169	0.795	model1_5ntuA2.pdb.gz
4	5hlyA2	0.67	2.62	0.183	0.808	model1_5hlyA2.pdb.gz
5	4pf1A	0.58	3.75	0.052	0.833	model1_4pf1A.pdb.gz
6	1nx9A3	0.58	3.97	0.082	0.853	model1_1nx9A3.pdb.gz
7	3idaA2	0.58	4.01	0.097	0.859	model1_3idaA2.pdb.gz
8	2yglA1	0.47	3.74	0.065	0.692	model1_2yglA1.pdb.gz
9	1mpxA3	0.37	4.29	0.061	0.596	model1_1mpxA3.pdb.gz
10	2w7sA	0.35	5.48	0.023	0.667	model1_2w7sA.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:0005114	1.00	type II transforming growth factor beta receptor binding
GO:0034714	0.95	type III transforming growth factor beta receptor binding
GO:0034713	0.75	type I transforming growth factor beta receptor binding
GO:0097367	0.61	carbohydrate derivative binding
GO:0003823	0.58	antigen binding
GO:0001948	0.58	glycoprotein 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:0050794	1.00	regulation of cellular process
GO:0080090	0.99	regulation of primary metabolic process
GO:0044767	0.99	single-organism developmental process
GO:0044763	0.99	single-organism cellular process
GO:0031325	0.99	positive regulation of cellular metabolic process
GO:0010604	0.99	positive regulation of macromolecule metabolic process
GO:0048583	0.98	regulation of response to stimulus
GO:0007167	0.98	enzyme linked receptor protein signaling pathway
GO:0007179	0.97	transforming growth factor beta receptor signaling pathway
GO:0048523	0.95	negative regulation of cellular process
GO:2000026	0.94	regulation of multicellular organismal development
GO:0051240	0.94	positive regulation of multicellular organismal process
GO:0050896	0.94	response to stimulus
GO:0030278	0.94	regulation of ossification
GO:0010557	0.94	positive regulation of macromolecule biosynthetic process
GO:0009892	0.94	negative regulation of metabolic process
GO:0051130	0.93	positive regulation of cellular component organization
GO:0051094	0.93	positive regulation of developmental process
GO:0045778	0.93	positive regulation of ossification
GO:0045595	0.93	regulation of cell differentiation
GO:0045216	0.93	cell-cell junction organization
GO:0032570	0.93	response to progesterone
GO:0031324	0.93	negative regulation of cellular metabolic process
GO:0010936	0.93	negative regulation of macrophage cytokine production
GO:0007435	0.93	salivary gland morphogenesis
GO:0006950	0.93	response to stress
GO:0010718	0.92	positive regulation of epithelial to mesenchymal transition
GO:0044707	0.91	single-multicellular organism process
GO:0032268	0.87	regulation of cellular protein metabolic process
GO:0048584	0.86	positive regulation of response to stimulus
GO:0032270	0.86	positive regulation of cellular protein metabolic process
GO:0009966	0.86	regulation of signal transduction
GO:0001932	0.86	regulation of protein phosphorylation
GO:0048869	0.85	cellular developmental process
GO:0043408	0.85	regulation of MAPK cascade
GO:0042127	0.85	regulation of cell proliferation
GO:0009967	0.85	positive regulation of signal transduction
GO:0001934	0.85	positive regulation of protein phosphorylation
GO:0008152	0.80	metabolic process
GO:0071704	0.79	organic substance metabolic process
GO:0044238	0.79	primary metabolic process
GO:0032879	0.79	regulation of localization
GO:0044260	0.78	cellular macromolecule metabolic process
GO:2000112	0.77	regulation of cellular macromolecule biosynthetic process
GO:0071702	0.77	organic substance transport
GO:0051173	0.77	positive regulation of nitrogen compound metabolic process
GO:0051049	0.77	regulation of transport
GO:0044765	0.77	single-organism transport
GO:0032880	0.77	regulation of protein localization
GO:0030335	0.77	positive regulation of cell migration
GO:0010468	0.77	regulation of gene expression
GO:0071822	0.76	protein complex subunit organization
GO:0051222	0.76	positive regulation of protein transport
GO:0050680	0.76	negative regulation of epithelial cell proliferation
GO:0045936	0.76	negative regulation of phosphate metabolic process
GO:0045935	0.76	positive regulation of nucleobase-containing compound metabolic process
GO:0045860	0.76	positive regulation of protein kinase activity
GO:0045786	0.76	negative regulation of cell cycle
GO:0044710	0.76	single-organism metabolic process
GO:0043410	0.76	positive regulation of MAPK cascade
GO:0031328	0.76	positive regulation of cellular biosynthetic process
GO:0030198	0.76	extracellular matrix organization
GO:0030155	0.76	regulation of cell adhesion
GO:0030154	0.76	cell differentiation
GO:0022402	0.76	cell cycle process
GO:0010628	0.76	positive regulation of gene expression
GO:0010605	0.76	negative regulation of macromolecule metabolic process
GO:0009611	0.76	response to wounding
GO:0007184	0.76	SMAD protein import into nucleus
GO:0006468	0.76	protein phosphorylation
GO:2000113	0.75	negative regulation of cellular macromolecule biosynthetic process
GO:0097191	0.75	extrinsic apoptotic signaling pathway
GO:0060389	0.75	pathway-restricted SMAD protein phosphorylation
GO:0051054	0.75	positive regulation of DNA metabolic process
GO:0045934	0.75	negative regulation of nucleobase-containing compound metabolic process
GO:0045893	0.75	positive regulation of transcription, DNA-templated
GO:0035303	0.75	regulation of dephosphorylation
GO:0030500	0.75	regulation of bone mineralization
GO:0030308	0.75	negative regulation of cell growth
GO:0023014	0.75	signal transduction by protein phosphorylation
GO:0010634	0.75	positive regulation of epithelial cell migration
GO:0008284	0.75	positive regulation of cell proliferation
GO:0007050	0.75	cell cycle arrest
GO:0006275	0.75	regulation of DNA replication
GO:0001503	0.75	ossification
GO:0043932	0.74	ossification involved in bone remodeling
GO:0032967	0.74	positive regulation of collagen biosynthetic process
GO:0030501	0.74	positive regulation of bone mineralization
GO:0008156	0.74	negative regulation of DNA replication
GO:0010862	0.70	positive regulation of pathway-restricted SMAD protein phosphorylation
GO:0006807	0.63	nitrogen compound metabolic process
GO:1901576	0.62	organic substance biosynthetic process
GO:1901360	0.62	organic cyclic compound metabolic process
GO:0044249	0.62	cellular biosynthetic process
GO:0006725	0.62	cellular aromatic compound metabolic process
GO:1901362	0.61	organic cyclic compound biosynthetic process
GO:0019438	0.61	aromatic compound biosynthetic process
GO:1901564	0.60	organonitrogen compound metabolic process
GO:0065008	0.60	regulation of biological quality
GO:0050778	0.60	positive regulation of immune response
GO:0006139	0.60	nucleobase-containing compound metabolic process
GO:1901566	0.59	organonitrogen compound biosynthetic process
GO:0051704	0.59	multi-organism process
GO:0034654	0.59	nucleobase-containing compound biosynthetic process
GO:1900182	0.58	positive regulation of protein localization to nucleus
GO:0071310	0.58	cellular response to organic substance
GO:0051098	0.58	regulation of binding
GO:0051093	0.58	negative regulation of developmental process
GO:0045596	0.58	negative regulation of cell differentiation
GO:0044281	0.58	small molecule metabolic process
GO:0044089	0.58	positive regulation of cellular component biogenesis
GO:0042306	0.58	regulation of protein import into nucleus
GO:0035556	0.58	intracellular signal transduction
GO:0032388	0.58	positive regulation of intracellular transport
GO:0032269	0.58	negative regulation of cellular protein metabolic process
GO:0030336	0.58	negative regulation of cell migration
GO:0016032	0.58	viral process
GO:0009605	0.58	response to external stimulus
GO:0007162	0.58	negative regulation of cell adhesion
GO:0006357	0.58	regulation of transcription from RNA polymerase II promoter
GO:0001819	0.58	positive regulation of cytokine production
GO:2000679	0.57	positive regulation of transcription regulatory region DNA binding
GO:1901666	0.57	positive regulation of NAD+ ADP-ribosyltransferase activity
GO:1900126	0.57	negative regulation of hyaluronan biosynthetic process
GO:0085029	0.57	extracellular matrix assembly
GO:0071495	0.57	cellular response to endogenous stimulus
GO:0071407	0.57	cellular response to organic cyclic compound
GO:0071363	0.57	cellular response to growth factor stimulus
GO:0070723	0.57	response to cholesterol
GO:0060391	0.57	positive regulation of SMAD protein import into nucleus
GO:0051897	0.57	positive regulation of protein kinase B signaling
GO:0050921	0.57	positive regulation of chemotaxis
GO:0048642	0.57	negative regulation of skeletal muscle tissue development
GO:0048298	0.57	positive regulation of isotype switching to IgA isotypes
GO:0045944	0.57	positive regulation of transcription from RNA polymerase II promoter
GO:0045662	0.57	negative regulation of myoblast differentiation
GO:0045599	0.57	negative regulation of fat cell differentiation
GO:0043552	0.57	positive regulation of phosphatidylinositol 3-kinase activity
GO:0043537	0.57	negative regulation of blood vessel endothelial cell migration
GO:0043536	0.57	positive regulation of blood vessel endothelial cell migration
GO:0043491	0.57	protein kinase B signaling
GO:0043406	0.57	positive regulation of MAP kinase activity
GO:0035307	0.57	positive regulation of protein dephosphorylation
GO:0033138	0.57	positive regulation of peptidyl-serine phosphorylation
GO:0032930	0.57	positive regulation of superoxide anion generation
GO:0032801	0.57	receptor catabolic process
GO:0032740	0.57	positive regulation of interleukin-17 production
GO:0032355	0.57	response to estradiol
GO:0031663	0.57	lipopolysaccharide-mediated signaling pathway
GO:0031334	0.57	positive regulation of protein complex assembly
GO:0030214	0.57	hyaluronan catabolic process
GO:0022408	0.57	negative regulation of cell-cell adhesion
GO:0019049	0.57	evasion or tolerance of host defenses by virus
GO:0017015	0.57	regulation of transforming growth factor beta receptor signaling pathway
GO:0010800	0.57	positive regulation of peptidyl-threonine phosphorylation
GO:0010763	0.57	positive regulation of fibroblast migration
GO:0010629	0.57	negative regulation of gene expression
GO:0007183	0.57	SMAD protein complex assembly
GO:0007182	0.57	common-partner SMAD protein phosphorylation
GO:0007173	0.57	epidermal growth factor receptor signaling pathway
GO:0007093	0.57	mitotic cell cycle checkpoint
GO:0006954	0.57	inflammatory response
GO:0006754	0.57	ATP biosynthetic process
GO:0006611	0.57	protein export from nucleus
GO:0002244	0.57	hematopoietic progenitor cell differentiation
GO:0002062	0.57	chondrocyte differentiation
GO:0001933	0.57	negative regulation of protein phosphorylation
GO:0000165	0.57	MAPK cascade
GO:0000060	0.57	protein import into nucleus, translocation
GO:0071560	0.56	cellular response to transforming growth factor beta stimulus
GO:0045892	0.56	negative regulation of transcription, DNA-templated

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:0044421	1.00	extracellular region part
GO:0044464	0.86	cell part
GO:0005615	0.86	extracellular space
GO:0044424	0.81	intracellular part
GO:0043227	0.68	membrane-bounded organelle
GO:0043231	0.67	intracellular membrane-bounded organelle
GO:0005634	0.64	nucleus
GO:0005737	0.60	cytoplasm
GO:0072562	0.59	blood microparticle
GO:0009986	0.59	cell surface

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	2v5yA	0.507	3.65	0.069	0.737	3.1.3.48	NA
2	0.060	3dgtA	0.524	4.18	0.094	0.821	3.2.1.39	NA
3	0.060	3achA	0.538	3.84	0.024	0.782	3.2.1.4	NA
4	0.060	1pmjX	0.542	3.85	0.047	0.795	3.2.1.78	NA
5	0.060	1g87B	0.541	4.09	0.055	0.808	3.2.1.4	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	0.02	2cdpA	0.551	2.60	0.093	0.692	0.44	UUU	complex1.pdb.gz	28,29,107,110
2	0.02	1m3yA	0.544	3.98	0.081	0.782	0.50	UUU	complex2.pdb.gz	97,98,100,110,111
3	0.02	1j5qB	0.542	4.05	0.080	0.801	0.41	UUU	complex3.pdb.gz	30,31,106,108
4	0.01	1m3yA	0.544	3.98	0.081	0.782	0.41	UUU	complex4.pdb.gz	48,94,95,96,98
5	0.01	1ga2A	0.540	4.09	0.055	0.808	0.44	BGC	complex5.pdb.gz	67,68,69,98,100

	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.