D-I-TASSER Q13489-D2

D-I-TASSER results for Q13489-D2

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

Input Sequence in FASTA format

>Q13489 (197 residues)
TSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSLLLIRKNRMALFQHLTCVIPILDS
LLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFV
QQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRK
CPICRSTIKGTVRTFLS

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| TSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHCCCCCSCCCCCCCSSSSCCCCSSSHHHHHHHCCCCCCCCCHHHHSSSSSSC
Confidence	99888885546887665777877764367755677502456778999999999999999999811377746689999999666689999999997236678898887767888887655443453124433334544667876433388618368998589987996154378998636698999324401534529
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| TSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS
Prediction	86534344444444443144364353244435545312314642352253143025104512645225543452344345242415412530354454325314431542443137444446526534555446154564355165532010013441200001000100034316304521023440543040447
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHCCCCCSCCCCCCCSSSSCCCCSSSHHHHHHHCCCCCCCCCHHHHSSSSSSC
TSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS

5cskA

0.06

0.05

2.02

0.83

DEthreader

-------------------LGDSSTIVAQKVPCITEMEYLYSHFYITTGWLDDLITH-KMTA-KPHEGKRYKFTVAKSTLILFHFLEEYYEVEKLFNGPNVKVEGAVDLAGVEKIVEWMSYV-PAKRNM--PV-P---IL-ET-TW----VRIEGLFL-GVITAQIDFMMILA-NWRGF-------VYGSSVVDPME

3t6pA3

0.74

0.59

16.69

1.22

SPARKS-K

------------------------------EMASDDLSLIRKNRMALFQQLTCVLPILDNLLKANVINKTQI---------PLQARELIDTILVKGNAAANIFKNSLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTF--

6l8nA

0.11

4.01

1.05

MapAlign

VIALRSSRKWILTGTPIINRLDDLFSLVQFLNLEPWSHINYWKRYSVPFENYAQAFDVINAVLKPLVSLPPKEVIVEKLQLSSSEKRVYQSMLEDAENSVKEGLKNYTNILVHILRLRQVCCHLDLLPKSSISQDKLDALSANFRDSFECAICTTECIAVSITEC-LHTFCEPCLKLSINCPYCRMPISEANVLKL-

3t6pA

0.35

10.31

0.75

CEthreader

PVVKSALEMGFNRDLVKQTVQSKILTTGENYKTVNDIVSALLNAEDEKREEEKEKQAEEMASDDLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNSLKEIDSTLYKNLFVDKNIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTF--

3t6pA

0.65

0.64

18.40

1.24

MUSTER

LTTGENYKTVNDIVSALLNAEDEKREEEKEKQAEEMASLIRKNRMALFQQLTCVLPILDNLLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNSLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTF--

6l8nA

0.17

5.49

1.78

HHsearch

TGTPIINRLDFSLVQFLNLEPWSHNYWKRYVS-----VPFEKGNAQAFDVINAVLPVLLRRTKNMLVSLPPKEVIVEKLQLSSSEKRVYQSMLEDAENSVKEGLDLLKNYTNILVHILRLRQHLDLLKPKSSISQDKDALSANHLPSFECAICTTECIAVSITECLH-TFCEPCLALSINCPYCRMPISEANVLKLS

3t6pA3

0.77

0.64

18.10

1.38

FFAS-3D

--------------------------------ASDDLSLIRKNRMALFQQLTCVLPILDNLLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNSLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTF--

3t6pA

0.32

0.31

9.32

0.82

EigenThreader

GGRNDDVKCFSCDGGLRCFPRCEFLIRMKGQEFVDEIQGRYNAEDEKREEEKEKQAEDLSLIRKNRMALFQQL------TCVLPILDNLLKAEHDIIKQPLQARELIDTILVKGAANIFKNSLKEIDPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGT-VRTF-

3t6pA

0.78

0.64

18.09

1.12

CNFpred

---------------------------------SDDLSLIRKNRMALFQQLTCVLPILDNLLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNSLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTF--

6w4qA

0.10

0.08

3.02

0.67

DEthreader

--SLLDGKKVGLPTI----------VSAGKDLLPL-DSFINVINTLGRDGAKYIGECILKQHLLGFFGAPVQILTIVRNFTDCGNSQNMSYSISDACSVTI-NPTNS-NY----SVG--NG-LRL-SQA--NK------D--KLLYSRTAGITM-AIGSSLHLQLIALLLGGDGAKPGYFWWSRRSFYLAVFSIDNG

(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	0.3337

(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	3t6pA	0.81	2.21	0.641	0.873	model1_3t6pA.pdb.gz
2	2a5yB	0.50	4.17	0.067	0.690	model1_2a5yB.pdb.gz
3	2l9mA	0.43	2.87	0.523	0.528	model1_2l9mA.pdb.gz
4	2dbdA	0.41	2.23	0.173	0.472	model1_2dbdA.pdb.gz
5	2n7zA	0.38	2.15	0.183	0.436	model1_2n7zA.pdb.gz
6	3gd7A	0.35	5.60	0.076	0.609	model1_3gd7A.pdb.gz
7	3nvtA	0.31	6.23	0.044	0.599	model1_3nvtA.pdb.gz
8	3iytA1	0.30	5.73	0.042	0.528	model1_3iytA1.pdb.gz
9	3eb5A	0.28	2.90	0.800	0.320	model1_3eb5A.pdb.gz
10	2ecgA	0.25	2.25	0.347	0.284	model1_2ecgA.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	0.94	catalytic activity
GO:0004842	0.91	ubiquitin-protein transferase activity
GO:0004869	0.59	cysteine-type endopeptidase inhibitor 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:0065007	0.94	biological regulation
GO:0050789	0.94	regulation of biological process
GO:0050794	0.93	regulation of cellular process
GO:0048583	0.81	regulation of response to stimulus
GO:0009966	0.80	regulation of signal transduction
GO:0009987	0.78	cellular process
GO:0048519	0.73	negative regulation of biological process
GO:0048523	0.71	negative regulation of cellular process
GO:0044699	0.71	single-organism process
GO:0010941	0.69	regulation of cell death
GO:0043067	0.68	regulation of programmed cell death
GO:0019222	0.68	regulation of metabolic process
GO:0080090	0.67	regulation of primary metabolic process
GO:0060255	0.67	regulation of macromolecule metabolic process
GO:0042981	0.67	regulation of apoptotic process
GO:0031323	0.67	regulation of cellular metabolic process
GO:0065009	0.66	regulation of molecular function
GO:0044763	0.66	single-organism cellular process
GO:0043066	0.66	negative regulation of apoptotic process
GO:0032268	0.66	regulation of cellular protein metabolic process
GO:0016043	0.66	cellular component organization
GO:0051336	0.65	regulation of hydrolase activity
GO:0031324	0.65	negative regulation of cellular metabolic process
GO:0010605	0.65	negative regulation of macromolecule metabolic process
GO:0043281	0.64	regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0032269	0.64	negative regulation of cellular protein metabolic process
GO:0022607	0.64	cellular component assembly
GO:0043154	0.63	negative regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0010468	0.62	regulation of gene expression
GO:0007017	0.62	microtubule-based process
GO:0006996	0.62	organelle organization
GO:1902589	0.61	single-organism organelle organization
GO:0010629	0.61	negative regulation of gene expression
GO:1990001	0.60	inhibition of cysteine-type endopeptidase activity involved in apoptotic process
GO:0090307	0.60	mitotic spindle assembly

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	0.98	intracellular part
GO:0005737	0.90	cytoplasm
GO:0043226	0.75	organelle
GO:0043229	0.73	intracellular organelle
GO:0043227	0.73	membrane-bounded organelle
GO:0043231	0.70	intracellular membrane-bounded organelle
GO:0005634	0.66	nucleus
GO:0044446	0.65	intracellular organelle part
GO:0044430	0.58	cytoskeletal part
GO:0005876	0.55	spindle microtubule

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	3ij3A	0.411	5.54	0.029	0.726	3.4.11.1	NA
2	0.060	1gytJ	0.430	5.55	0.070	0.751	3.4.11.1	NA
3	0.060	1ba3A	0.417	5.54	0.041	0.741	1.13.12.7	NA
4	0.060	1f1hA	0.416	5.62	0.036	0.726	6.3.1.2	NA
5	0.060	3h8eA	0.424	5.68	0.080	0.761	3.4.11.1	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	0.62	3t6pA	0.809	2.21	0.641	0.873	0.69	ZN	complex1.pdb.gz	162,165,184
2	0.01	3aohI	0.428	5.47	0.038	0.731	0.53	ZN	complex2.pdb.gz	165,184,186
3	0.01	1ynjD	0.353	5.90	0.052	0.645	0.91	ZN	complex3.pdb.gz	163,165,181,186

	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.