D-I-TASSER A0A1W2PR48-D2

D-I-TASSER results for A0A1W2PR48-D2

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

Input Sequence in FASTA format

>A0A1W2PR48 (138 residues)
HGKRVYAVAISGSTHHVYTCGSGYIRVWDESALHAGEKAPRAQLDLQHPQDRVVTCKLFP
DERSLITGGASQAVTLWDLAPTPQVRAQLTSTGPTCYSLAVSSDAHICLACFHGFVEIWD
LQNQILIRKHEVPVYGSR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| HGKRVYAVAISGSTHHVYTCGSGYIRVWDESALHAGEKAPRAQLDLQHPQDRVVTCKLFPDERSLITGGASQAVTLWDLAPTPQVRAQLTSTGPTCYSLAVSSDAHICLACFHGFVEIWDLQNQILIRKHEVPVYGSR
Prediction	CCCCSSSSSSCCCCCSSSSSCCCSSSSSSCCCCCCCCCCCCSSSSSCCCCCCSSSSSSCCCCCSSSSSSCCCSSSSSSCCCCCSSSCSSCCCCCCSSSSSSCCCCCSSSSSCCCCSSSSSCCCCSSSSSCCCCCCCCC
Confidence	999589999969998899933996999988999545535512332148899789999989999899994899199986899966551638999978999997999789984799199978899918752169988869
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| HGKRVYAVAISGSTHHVYTCGSGYIRVWDESALHAGEKAPRAQLDLQHPQDRVVTCKLFPDERSLITGGASQAVTLWDLAPTPQVRAQLTSTGPTCYSLAVSSDAHICLACFHGFVEIWDLQNQILIRKHEVPVYGSR
Prediction	875412000103433200001441010010544444554453334054153202000303533300001423101001165365045406214430303042341100001243101012065453246172335147
	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

                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCSSSSSSCCCCCSSSSSCCCSSSSSSCCCCCCCCCCCCSSSSSCCCCCCSSSSSSCCCCCSSSSSSCCCSSSSSSCCCCCSSSCSSCCCCCCSSSSSSCCCCCSSSSSCCCCSSSSSCCCCSSSSSCCCCCCCCC
HGKRVYAVAISGSTHHVYTCGSGYIRVWDESALHAGEKAPRAQLDLQHPQDRVVTCKLFPDERSLITGGASQAVTLWDLAPTPQVRAQLTSTGPTCYSLAVSSDAHICLACFHGFVEIWDLQNQILIRKHEVPVYGSR

4j87A

0.16

5.30

1.50

DEthreader

GSHYVMCAAFHPSEDLIVSASDQTVRVWDISGLRMKNADAIVKFVLEGHDRGVNWCAFHPTLPLILSAGDDRLVKLWRMTSKAWEVDTCRGHFNNVSCCLFHPQELILSASEDKTIRVWDLNRRTAVQTFRRDFWFIT

5yzvA2

0.26

0.25

7.59

1.72

SPARKS-K

HTDYVYAVAFSPDGSMVASGSDGTIRLWDVATG-------KERDVLQAPAENVVSLAFSPDGSMLVHGSD-STVHLWDVASGEA-LHTFEGHTDWVRAVAFSPDGALASGSDDRTIRLWDVAAQEEHTTLEGHTEPVH

4j87A

0.17

5.70

0.32

MapAlign

HSHYVMCAAFHPSEDLIVSASLQTVRVWDISGLKAQAADAIVKFVLEGHDRGVNWCAFHPTLPLILSAGDDRLVKLWRMTSKAWEVDTCRGHFNNVSCCLFHPQELILSASEDKTIRVWDLNRRTAVQTFRRAFWFIT

4j87A

0.17

5.50

0.25

CEthreader

HSHYVMCAAFHPSEDLIVSASLQTVRVWDISGLRMKNADAIVKFVLEGHDRGVNWCAFHPTLPLILSAGDDRLVKLWRMTAKAWEVDTCRGHFNNVSCCLFHPHELILSASEDKTIRVWDLNRRTAVQTFRRANDRFW

5yzvA2

0.26

0.25

7.59

1.65

MUSTER

HTDYVYAVAFSPDGSMVASGSDGTIRLWDVATG-------KERDVLQAPAENVVSLAFSPDGSMLVHGS-DSTVHLWDVASG-EALHTFEGHTDWVRAVAFSPDGALASGSDDRTIRLWDVAAQEEHTTLEGHTEPVH

3dm0A

0.17

0.16

5.25

0.62

HHsearch

HSHFVEDVVLSSDGQFALSGSDGELRLWDLAAG-------VSTRRFVGHTKDVLSVAFSLDNRQIVSASRDRTIKLWNTL-GECKYTISEGHRDWVSCVRFSPNTLIVSASWDKTVKVWNLSNCKLRSTLAGHTSTVA

6zwmC2

0.15

5.11

1.76

FFAS-3D

PEVSITSAHIDPDASYMAAVNTGNCYVWNLTGGIGDEVTQLIKTKIPAHTRYALQCRFSPDSTLLATCSADQTCKIWRTSNFSLMTELSESSRGWMWGCAFSGDSQIVTASSDNLARLWCVETGEIKREYGGHQKAVV

6zwmC2

0.14

4.91

0.48

EigenThreader

PEPEITSAHIDPDASYMAAVNSTNCYVWNLTGGIGDEVTQLIPTKIPAHTRYALQCRFSPDSTLLATCSADQTCKIWRTSNFSLMTELSIKSRGWMWGCAFSDSQYIVTASSDNLARLWCVETGEIKREYGGHVVCLA

3sfzA

0.19

0.18

5.83

2.00

CNFpred

HTDAVYHACFSQDGQRIASCGAKTLQVFKAET-------GEKLLDIKAHEDEVLCCAFSSDDSYIATCSADKKVKIWDSATG-KLVHTYDEHSEQVNCCHFTNKLLLATGSNDFFLKLWDLNQKECRNTMF-SVNHCR

5wjcA

0.18

0.17

5.69

1.50

DEthreader

HTAEGFGLCWNPNPGNLATGADQVICLWDVQ-TQSFTKVISPIAKYHRHTDIVNDVQFHPHEALLASVSDDCTLQIHDTRLNPEAPKVIQAHSKAINAVAINPNDLLATASADKTVALWDLRNPQRLHTLEGHVYGLE

(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	0.8802

(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	5nrlH	0.91	1.19	0.187	0.971	model1_5nrlH.pdb.gz
2	5wjcA	0.91	1.55	0.175	0.993	model1_5wjcA.pdb.gz
3	3j80g	0.90	1.34	0.142	0.971	model1_3j80g.pdb.gz
4	5xyig	0.90	1.31	0.164	0.971	model1_5xyig.pdb.gz
5	5ganH	0.90	1.33	0.179	0.971	model1_5ganH.pdb.gz
6	3fm0A	0.90	1.38	0.150	0.964	model1_3fm0A.pdb.gz
7	4d6vA	0.90	1.27	0.173	0.964	model1_4d6vA.pdb.gz
8	2h9lA	0.90	1.02	0.146	0.942	model1_2h9lA.pdb.gz
9	1vyhT	0.89	1.07	0.131	0.942	model1_1vyhT.pdb.gz
10	3dm0A	0.89	1.34	0.218	0.964	model1_3dm0A.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:0044877	0.48	macromolecular complex binding
GO:0003676	0.47	nucleic acid binding
GO:0003682	0.44	chromatin binding
GO:0003824	0.41	catalytic activity
GO:0016740	0.38	transferase activity
GO:0042393	0.35	histone binding
GO:0018024	0.33	histone-lysine N-methyltransferase activity
GO:0010485	0.33	H4 histone acetyltransferase activity
GO:0000989	0.32	transcription factor activity, transcription factor binding
GO:0003714	0.31	transcription corepressor 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	0.82	cellular process
GO:0065007	0.80	biological regulation
GO:0044699	0.79	single-organism process
GO:0050789	0.78	regulation of biological process
GO:0032502	0.78	developmental process
GO:0050794	0.75	regulation of cellular process
GO:0044767	0.73	single-organism developmental process
GO:0071840	0.60	cellular component organization or biogenesis
GO:0019222	0.60	regulation of metabolic process
GO:0016043	0.59	cellular component organization
GO:0060255	0.58	regulation of macromolecule metabolic process
GO:0010468	0.57	regulation of gene expression
GO:0080090	0.56	regulation of primary metabolic process
GO:0044260	0.56	cellular macromolecule metabolic process
GO:0044238	0.56	primary metabolic process
GO:0031323	0.56	regulation of cellular metabolic process
GO:0009653	0.56	anatomical structure morphogenesis
GO:0031326	0.55	regulation of cellular biosynthetic process
GO:2000112	0.53	regulation of cellular macromolecule biosynthetic process
GO:0019219	0.53	regulation of nucleobase-containing compound metabolic process
GO:0006355	0.52	regulation of transcription, DNA-templated
GO:0048519	0.51	negative regulation of biological process
GO:0044763	0.51	single-organism cellular 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:0044424	1.00	intracellular part
GO:0043226	0.91	organelle
GO:0043229	0.90	intracellular organelle
GO:0032991	0.88	macromolecular complex
GO:0043231	0.87	intracellular membrane-bounded organelle
GO:0044446	0.86	intracellular organelle part
GO:0005634	0.83	nucleus
GO:0043234	0.79	protein complex
GO:0044428	0.73	nuclear part

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	0.067	1rwlA	0.779	2.17	0.063	0.920	2.7.11.1	75,99,101
2	0.066	2iwaA	0.693	2.67	0.064	0.906	2.3.2.5	NA
3	0.066	1uv4A	0.732	3.06	0.095	0.986	3.2.1.99	NA
4	0.060	1oygA	0.754	2.91	0.074	0.986	2.4.1.10	NA
5	0.060	1kb0A	0.780	2.33	0.069	0.942	1.1.99.-	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	0.07	3p4fA	0.892	1.08	0.146	0.942	0.68	III	complex1.pdb.gz	4,6,21,53,54,55,70,95,97,112
2	0.04	3cfvB	0.896	1.82	0.152	0.993	0.64	III	complex2.pdb.gz	21,54,70
3	0.04	1a0rB	0.879	1.25	0.138	0.942	0.66	FAR	complex3.pdb.gz	96,109,111,113,115,117,119
4	0.04	2bcj5	0.855	1.55	0.132	0.935	0.61	III	complex4.pdb.gz	2,4,6,22,23,47,49,51,52,54,70,96,98,136

	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.