D-I-TASSER Q6QHF9-D1

D-I-TASSER results for Q6QHF9-D1

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

Input Sequence in FASTA format

>Q6QHF9 (285 residues)
MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCF
GGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPED
TVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTF
FDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQ
ILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL
Prediction	CCCCCCCCCCCCCCCSSSSCCCHHHHHHHHHHHHHCCCCCSSSSSCCCCCCCSSSSSSSCCSSSCCCCSSSSSCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHCCCCCCCCCCSCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCSSSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCC
Confidence	988877667899980999878499999999999818997289996678768568568739954114635775147785223211012333322123455322367754311222111024677642011010244322222233443100001365201100112234689999873101354445443102332011333554301576444678999899999972567677788863899632346788751457999999999999998634457899999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL
Prediction	554466456557403000000110000002202756432301000033301010203514423333012001222432222222222312222222223222233222202212432422222034323333332223222222222213221320321222420332223202422433234424423142234233343342202110102212213441142034024465453401000001002562300000002002400430062047616524468
	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                 200                 220                 240                 260                 280

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCSSSSCCCHHHHHHHHHHHHHCCCCCSSSSSCCCCCCCSSSSSSSCCSSSCCCCSSSSSCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHCCCCCCCCCCSCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCSSSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCC
MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL

5mbxA

0.82

0.73

20.60

1.33

DEthreader

------------GPRVLVVGSGIAGLGAAQKLCS---APHLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGEKELNVGDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSF-------ETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFGTNNWAPYTRGSYSYVAVGSTGDDLDLMAQPLP------GLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQVEQSR---

5mbxA2

0.81

0.69

19.51

1.83

SPARKS-K

------------GPRVLVVGSGIAGLGAAQKLCSA---PHLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGYTVLPGLDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLTG----------------------DDLDLMAQPLP------GLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQVEQSRPRL

5mbxA

0.84

0.76

21.46

0.61

MapAlign

------------GPRVLVVGSGIAGLGAAQKLC---SAPHLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGEKELPGLDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFGTWHSAPYTRGSYSYVAVGSTGDDLDLMAQPL------PGLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQV-------

4fweA4

0.33

0.29

8.64

0.61

CEthreader

GADQYLLPKDYHNKSVIIIGAGPAGLAAARQLHNFG--IKVTVLEAKDRIGGRVWDDKSFKGVTVGRGAQIVNGCINNPVALMCEQLGISMHKFFAGDHTLLTPGYSVIIEKLAEGL---DIQLKSPVQCIDYSGD-----------EVQVTTTDGTGYSAQKVLVTVPLALLQKGA-IQFNPPLSEKKMKAINSLGAGIWSTDPWIQMAYSFVKTGGSGEAYDIIAEDI-------QGTVFFAGEATNRHFPQTVTGAYLSGVREASKIAAF------------

5mbxA2

0.83

0.70

19.70

1.51

MUSTER

------------GPRVLVVGSGIAGLGAAQKLCS----PHLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGYTVLPGLDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKL----------------------TGDDLDLMAQPLPG------LQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQVEQSRPRL

4fweA

0.34

0.29

8.83

1.25

HHsearch

LSDQYLLPKDYHNKSVIIIGAGPAGLAAARQLHN-FGI-KVTVLEAKDRIGGRVWDDKSFGVTVGRGAQIVNGC-INNPVALMCEQLGISMHKFGEGDHTLLTPGYSVIIEKLAEGL---DIQLKSPVQCIDYSGD-----------EVQVTTTDGTGYSAQKVLVTVPLALLQKG-AIQFNPPLSEKKMKAINSLGAGRWSTDPWIQMAYSFVKTGGSGEAYDIIAEDIQG-------TVFFAGEATNRHFPQTVTGAYLSGVREASKIAAF------------

5mbxA

0.83

0.76

21.58

1.91

FFAS-3D

------------GPRVLVVGSGIAGLGAAQKLCSAP---HLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGETVLPGLDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFSQWHSAPYTRGSYSYVAVGSTGDDLDLMAQPL------PGLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQVEQSRPRL

4iv9A1

0.19

0.18

5.67

0.78

EigenThreader

EMTGGIGSAGTPTPRVAIVGAGISGLVAATELLRAGVKDV-VLYESRDRIGGRVWSQVFPRYIAEMGAMRFPPS--ATGLFHYLKKFGITSTTFYQSDQRLIPDGISSLAARLADQGKRDRVCFSRVGRISREAE-------------KIIIQTAGEQRVFDRVIVTSSNRAMQMIHCLTDESFLSRDVARAVRETHLTGLTDP-HSAGAFKLNYPGEDVYSQRLFFQPMTANSPNKDTGLYLAGCSCSF-AGGWIEGAVQTALNSACAVLRSTGGCINASYRY-

5laeA

0.84

0.76

21.36

2.29

CNFpred

------------GPRVLVVGSGIAGLGAAQKLCSHRAAPHLRVLEATASAGGRIRSERCFGGVVELGAHWIHGPSQDNPVFQLAAEFGLLGETVLPGLDCILAGGYQGLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFGTWHSAPYTRGSYSYVAVGSTGDDLDLMAQPLP------GLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWD----------

2x0lA

0.32

0.28

8.55

1.33

DEthreader

----------KKTGKVIIIGSGVSGLAAARQLQS-FGM-DVTLLEARDRVGGRVATFRKGNYVADLGAMVVTG-LGGNPMAVVSKQ-VNMELAKIKGSHLTVRNGYSCVPVALAE-GL--DIKLNTAVRQVRYT--A--------S-GCEVIAVQTFIYKCDAVLCTLPLGVLKQPPAVQFVPPLPEWKTSAVQRMGFGNLRWDPWARGSYSYVAAGSSGNDYDLMAQPITPGPPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLG-AM------

(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	0.8574

(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	5mbxA	0.92	0.73	0.841	0.926	model1_5mbxA.pdb.gz
2	2x0lA	0.84	2.38	0.322	0.909	model1_2x0lA.pdb.gz
3	4fweA	0.83	1.70	0.327	0.870	model1_4fweA.pdb.gz
4	4iv9A	0.80	2.74	0.220	0.895	model1_4iv9A.pdb.gz
5	1b5qB	0.80	2.11	0.298	0.860	model1_1b5qB.pdb.gz
6	3bnmB	0.80	2.16	0.317	0.863	model1_3bnmB.pdb.gz
7	7e0cA	0.79	2.37	0.220	0.867	model1_7e0cA.pdb.gz
8	3x0vA	0.79	2.62	0.208	0.888	model1_3x0vA.pdb.gz
9	3we0A1	0.79	2.92	0.184	0.895	model1_3we0A1.pdb.gz
10	2iidA	0.79	2.06	0.263	0.853	model1_2iidA.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	0.98	catalytic activity
GO:0016491	0.92	oxidoreductase activity
GO:0050660	0.71	flavin adenine dinucleotide binding
GO:0034648	0.70	histone demethylase activity (H3-dimethyl-K4 specific)
GO:0005102	0.57	receptor binding
GO:0008134	0.56	transcription factor binding
GO:0003682	0.56	chromatin binding
GO:0061752	0.54	telomeric repeat-containing RNA binding
GO:0050681	0.54	androgen receptor binding
GO:0044212	0.54	transcription regulatory region DNA binding
GO:0043426	0.54	MRF binding
GO:0042162	0.54	telomeric DNA binding
GO:0032454	0.54	histone demethylase activity (H3-K9 specific)
GO:0030374	0.54	ligand-dependent nuclear receptor transcription coactivator activity
GO:0019899	0.54	enzyme binding
GO:0002039	0.54	p53 binding
GO:0004407	0.53	histone deacetylase activity
GO:0003700	0.53	transcription factor activity, sequence-specific DNA binding
GO:0001085	0.53	RNA polymerase II transcription factor 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:0008152	0.98	metabolic process
GO:0044699	0.95	single-organism process
GO:0044710	0.93	single-organism metabolic process
GO:0055114	0.89	oxidation-reduction process
GO:0044237	0.84	cellular metabolic process
GO:0071704	0.83	organic substance metabolic process
GO:0044763	0.76	single-organism cellular process
GO:0044238	0.75	primary metabolic process
GO:0044260	0.72	cellular macromolecule metabolic process
GO:0016043	0.72	cellular component organization
GO:0034720	0.71	histone H3-K4 demethylation
GO:0016568	0.68	chromatin modification
GO:0065007	0.65	biological regulation
GO:0050789	0.63	regulation of biological process
GO:0080090	0.62	regulation of primary metabolic process
GO:0031323	0.62	regulation of cellular metabolic process
GO:0051171	0.61	regulation of nitrogen compound metabolic process
GO:0048856	0.61	anatomical structure development
GO:0044767	0.61	single-organism developmental process
GO:0031326	0.61	regulation of cellular biosynthetic process
GO:0065008	0.60	regulation of biological quality
GO:0051173	0.60	positive regulation of nitrogen compound metabolic process
GO:0031325	0.60	positive regulation of cellular metabolic process
GO:0050793	0.58	regulation of developmental process
GO:0031328	0.58	positive regulation of cellular biosynthetic process
GO:0010468	0.58	regulation of gene expression
GO:2000026	0.57	regulation of multicellular organismal development
GO:0050896	0.57	response to stimulus
GO:0048513	0.57	animal organ development
GO:0019219	0.57	regulation of nucleobase-containing compound metabolic process
GO:0006807	0.57	nitrogen compound metabolic process
GO:0051716	0.56	cellular response to stimulus
GO:0051130	0.56	positive regulation of cellular component organization
GO:0051098	0.56	regulation of binding
GO:0051052	0.56	regulation of DNA metabolic process
GO:0048869	0.56	cellular developmental process
GO:0045944	0.56	positive regulation of transcription from RNA polymerase II promoter
GO:0044093	0.56	positive regulation of molecular function
GO:0010817	0.56	regulation of hormone levels
GO:1905269	0.55	positive regulation of chromatin organization
GO:1903706	0.55	regulation of hemopoiesis
GO:0051240	0.55	positive regulation of multicellular organismal process
GO:0051094	0.55	positive regulation of developmental process
GO:0048523	0.55	negative regulation of cellular process
GO:0048468	0.55	cell development
GO:0045597	0.55	positive regulation of cell differentiation
GO:0044707	0.55	single-multicellular organism process
GO:0032350	0.55	regulation of hormone metabolic process
GO:0010629	0.55	negative regulation of gene expression
GO:0009966	0.55	regulation of signal transduction
GO:1903827	0.54	regulation of cellular protein localization
GO:1902166	0.54	negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
GO:0071480	0.54	cellular response to gamma radiation
GO:0055001	0.54	muscle cell development
GO:0051091	0.54	positive regulation of sequence-specific DNA binding transcription factor activity
GO:0043518	0.54	negative regulation of DNA damage response, signal transduction by p53 class mediator
GO:0043433	0.54	negative regulation of sequence-specific DNA binding transcription factor activity
GO:0034644	0.54	cellular response to UV
GO:0033184	0.54	positive regulation of histone ubiquitination
GO:0033169	0.54	histone H3-K9 demethylation
GO:0032091	0.54	negative regulation of protein binding
GO:0010569	0.54	regulation of double-strand break repair via homologous recombination
GO:0009790	0.54	embryo development
GO:0000122	0.54	negative regulation of transcription from RNA polymerase II promoter
GO:2000648	0.53	positive regulation of stem cell proliferation
GO:2000179	0.53	positive regulation of neural precursor cell proliferation
GO:1901564	0.53	organonitrogen compound metabolic process
GO:0051573	0.53	negative regulation of histone H3-K9 methylation
GO:0051572	0.53	negative regulation of histone H3-K4 methylation
GO:0046886	0.53	positive regulation of hormone biosynthetic process
GO:0045654	0.53	positive regulation of megakaryocyte differentiation
GO:0045648	0.53	positive regulation of erythrocyte differentiation
GO:0043392	0.53	negative regulation of DNA binding
GO:0030851	0.53	granulocyte differentiation
GO:0021983	0.53	pituitary gland development
GO:0016575	0.53	histone deacetylation
GO:0010725	0.53	regulation of primitive erythrocyte differentiation
GO:0007596	0.53	blood coagulation
GO:0001701	0.53	in utero embryonic development
GO:0034641	0.50	cellular nitrogen compound metabolic 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:0044464	0.98	cell part
GO:0044424	0.96	intracellular part
GO:0043231	0.66	intracellular membrane-bounded organelle
GO:0044444	0.56	cytoplasmic part
GO:0044446	0.52	intracellular organelle part
GO:0005737	0.51	cytoplasm

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	2iveA	0.699	2.59	0.218	0.793	1.3.3.4	NA
2	0.060	1b37B	0.796	1.98	0.298	0.856	1.5.3.15 1.5.3.14	NA
3	0.060	1o5wC	0.760	2.35	0.281	0.835	1.4.3.4	21
4	0.060	1oj9A	0.759	2.31	0.304	0.835	1.4.3.4	NA
5	0.060	2iw5A	0.843	2.40	0.322	0.909	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:

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	0.76	2v1dA	0.844	2.37	0.322	0.909	1.15	FAD	complex1.pdb.gz	20,22,23,24,44,45,46,47,52,53,66,67,68,69,70,126,128,167,168,169,206,210,211,245,246,254,255,256,259

	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.