D-I-TASSER P05107-D2

D-I-TASSER results for P05107-D2

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

Input Sequence in FASTA format

>P05107 (122 residues)
PTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFRRASRVFLDHNALPDTLKVTY
DSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVL
PQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| PTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFRRASRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ
Prediction	CCCCCCCCCCCCCCCSSSSSSSSSSSCCCCCCCCSSSSCSSSSSSSSSCCCCCCCSSSSSSSSCCCCCCCCCCCCCSCCCCCCCCSSSSSSSSSSCCCCCCCSSSSSSCCCCSSSSSSSSSC
Confidence	97633222378898168653688986079985213611022149999617999858999997859997347877770367128929999999996568998758997214745899999839
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| PTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFRRASRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ
Prediction	86444535646754433033351404034545441511451355040436533740403030404755545657555056043644040403030561377440402024143504041358
	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 DeepPotential. 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

CCCCCCCCCCCCCCCSSSSSSSSSSSCCCCCCCCSSSSCSSSSSSSSSCCCCCCCSSSSSSSSCCCCCCCCCCCCCSCCCCCCCCSSSSSSSSSSCCCCCCCSSSSSSCCCCSSSSSSSSSC
PTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFRRASRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ

3fcsB

0.23

0.20

6.16

1.17

DEthreader

-KGS-----------QVTQ-QVEDY----QMRKLTVDYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGL--KSCMGLKIGDTVSFSIEAKVRGCPKEKSFTIKPVGFKDSLIVQVTFD

3vi3B

0.24

7.42

2.19

SPARKS-K

IQTIFAVTEEFQPVYKELKNSAVGTLSANSSQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKSDSFKIRPLGFTEEVEVILQYI

3fcsB

0.20

0.19

6.03

0.92

MapAlign

----VNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVI--PGLKSCMGLKIGDTVSFSIEAKVRGCPKEKSFTIKPVGFKDSLIVQVTF-

3fcsB

0.22

0.21

6.74

0.93

CEthreader

INLIFAVTENVVNLYQNYSETTVGVLSMDVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVI--PGLKSCMGLKIGDTVSFSIEAKVRGCPKEKSFTIKPVGFKDSLIVQVTFD

3k6sB1

0.69

19.59

1.42

MUSTER

PSPIFAVTSRMVKTYEKLTEIAVGELSEDSVQLIKNAYNKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ

3k6sB

0.68

19.37

3.27

HHsearch

IQPIFAVTSRMVKTYEKLTESAVGELSEDSSQLIKNAYNKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ

6bxbA4

0.30

0.29

8.71

1.46

FFAS-3D

P--LSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSQVRQVESKVELEVRDLPEELSLSFNATCLNNEVIP--GLKSCMGLKIGDTVSFSIEAKVRGCPQEKSFTIKPVGFKDSLIVQVTFD

3vi3B

0.20

6.28

1.07

EigenThreader

NIQTIFFQPVYKELKNLIPKSAVGTLSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCK----NGVENGRKCSNISIGDEVQFEISITSNKCPKKDSFKIRPLGFTEEVEVILQYI

4nehB

0.68

19.37

3.06

CNFpred

IQPIFAVTSRMVKTYEKLTKSAVGELSEDSSNLIKNAYNKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ

3k6sB

0.78

0.66

18.78

1.00

DEthreader

-----------D-NGGQKQ-RAKG-----ALNEITKAYNKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSFVIRALGFTDIVTVQVLPQ

(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	0.7994

(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 DeepPotential, 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	3fcsB	0.92	1.22	0.225	0.984	model1_3fcsB.pdb.gz
2	3vi3B	0.89	1.52	0.248	0.992	model1_3vi3B.pdb.gz
3	3k6sB1	0.89	1.54	0.689	1.000	model1_3k6sB1.pdb.gz
4	4g1eB1	0.69	1.36	0.197	0.754	model1_4g1eB1.pdb.gz
5	3v4pB1	0.68	1.66	0.225	0.762	model1_3v4pB1.pdb.gz
6	2bixA1	0.40	5.04	0.054	0.754	model1_2bixA1.pdb.gz
7	2ygqA	0.37	3.79	0.028	0.574	model1_2ygqA.pdb.gz
8	2pyjB	0.35	5.49	0.059	0.689	model1_2pyjB.pdb.gz
9	1qxzA	0.35	4.91	0.021	0.647	model1_1qxzA.pdb.gz
10	2e26A1	0.34	4.78	0.077	0.615	model1_2e26A1.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:0050839	0.60	cell adhesion molecule 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:0044699	0.96	single-organism process
GO:0044763	0.95	single-organism cellular process
GO:0065007	0.80	biological regulation
GO:0050789	0.80	regulation of biological process
GO:0050794	0.79	regulation of cellular process
GO:1902578	0.69	single-organism localization
GO:0050896	0.69	response to stimulus
GO:0071495	0.66	cellular response to endogenous stimulus
GO:0071310	0.66	cellular response to organic substance
GO:0044765	0.66	single-organism transport
GO:0016192	0.65	vesicle-mediated transport
GO:0071704	0.64	organic substance metabolic process
GO:0044710	0.64	single-organism metabolic process
GO:0044237	0.63	cellular metabolic process
GO:0043170	0.63	macromolecule metabolic process
GO:0006897	0.63	endocytosis
GO:0071404	0.62	cellular response to low-density lipoprotein particle stimulus
GO:0031623	0.62	receptor internalization
GO:0016043	0.62	cellular component organization
GO:0007229	0.60	integrin-mediated signaling pathway
GO:0048518	0.58	positive regulation of biological process
GO:0007155	0.57	cell adhesion
GO:0032879	0.56	regulation of localization
GO:0098609	0.55	cell-cell adhesion
GO:0016337	0.54	single organismal cell-cell adhesion
GO:0048522	0.53	positive regulation of cellular process
GO:0060255	0.52	regulation of macromolecule metabolic process
GO:0007160	0.51	cell-matrix adhesion
GO:0051128	0.50	regulation of cellular component organization

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:0005886	1.00	plasma membrane
GO:0044425	0.79	membrane part
GO:0044459	0.76	plasma membrane part
GO:0043226	0.52	organelle
GO:0043235	0.51	receptor complex

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	1yjlA	0.413	4.30	0.063	0.713	1.14.17.3 4.3.2.5	NA
2	0.060	1wd8A	0.487	3.42	0.103	0.680	3.5.3.15	NA
3	0.060	1b7gO	0.464	4.58	0.033	0.803	1.2.1.59	NA
4	0.060	1v9u1	0.381	4.80	0.019	0.672	3.6.1.15	43,47
5	0.060	3fu7B	0.510	4.16	0.047	0.795	1.10.3.2	45

	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	0.10	1l5gB	0.847	1.79	0.200	0.984	0.30	UUU	complex1.pdb.gz	67,68,69,78,80
2	0.04	1u8cB	0.869	1.65	0.200	0.984	0.34	UUU	complex2.pdb.gz	76,77,78,80,107
3	0.04	1m1xB	0.869	1.62	0.200	0.984	0.32	UUU	complex3.pdb.gz	80,81,86
4	0.04	2vc2B	0.685	2.69	0.240	0.844	0.36	180	complex4.pdb.gz	45,46,110,111,112
5	0.01	1xezA	0.514	4.04	0.077	0.811	0.33	BOG	complex5.pdb.gz	67,85,86
6	0.01	2vdqA	0.327	5.51	0.026	0.697	0.30	III	complex6.pdb.gz	38,81,111
7	0.01	1m2v0	0.509	3.65	0.050	0.730	0.11	III	complex7.pdb.gz	80,82,85,87
8	0.01	2vc2A	0.361	5.09	0.017	0.672	0.18	180	complex8.pdb.gz	65,80,85
9	0.01	3nt0A	0.542	3.72	0.077	0.820	0.13	UUU	complex9.pdb.gz	64,66,67
10	0.01	2vdoA	0.387	4.68	0.053	0.664	0.26	III	complex10.pdb.gz	62,79,81

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.