D-I-TASSER Q7L513-D1

D-I-TASSER results for Q7L513-D1

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

Input Sequence in FASTA format

>Q7L513 (359 residues)
MKLGCVLMAWALYLSLGVLWVAQMLLAASFETLQCEGPVCTEESSCHTEDDLTDAREAGF
QVKAYTFSEPFHLIVSYDWLILQGPAKPVFEGDLLVLRCQAWQDWPLTQVTFYRDGSALG
PPGPNREFSITVVQKADSGHYHCSGIFQSPGPGIPETASVVAITVQELFPAPILRAVPSA
EPQAGSPMTLSCQTKLPLQRSAARLLFSFYKDGRIVQSRGLSSEFQIPTASEDHSGSYWC
EAATEDNQVWKQSPQLEIRVQGASSSAAPPTLNPAPQKSAAPGTAPEEAPGPLPPPPTPS
SEDPGFSSPLGMPDPHLYHQMGLLLKHMQDVRVLLGHLLMELRELSGHRKPGTTKATAE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKLGCVLMAWALYLSLGVLWVAQMLLAASFETLQCEGPVCTEESSCHTEDDLTDAREAGFQVKAYTFSEPFHLIVSYDWLILQGPAKPVFEGDLLVLRCQAWQDWPLTQVTFYRDGSALGPPGPNREFSITVVQKADSGHYHCSGIFQSPGPGIPETASVVAITVQELFPAPILRAVPSAEPQAGSPMTLSCQTKLPLQRSAARLLFSFYKDGRIVQSRGLSSEFQIPTASEDHSGSYWCEAATEDNQVWKQSPQLEIRVQGASSSAAPPTLNPAPQKSAAPGTAPEEAPGPLPPPPTPSSEDPGFSSPLGMPDPHLYHQMGLLLKHMQDVRVLLGHLLMELRELSGHRKPGTTKATAE
Prediction	CSSSSSSSSCCCCCCCCCSSCCCCSCCCCCSSSSSCCSSCCCCCSSSSCCCCCCCSSSSSSSSCCCCCCSSSSSSSCCCSSSSCCCCSSCCCCCSSSSSSSCCCCCCCSSSSSSCCSSCCCCCCCCSSSSCCCCHHHCSSSSSSSSSSCCCCCSSSSCCCSSSSSSCCCCCCSSSSCCCCSSSCCCSSSSSSSSSCCCCCCCCCSSSSSSSCCSSCCCCCCCCSSSSCCCCHHHCSSSSSSSSSCCCCSSSSCSSSSSSSSCCCCCCCCCSSSSCCCCCSSCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCSSSSSSSSSCCCCSSCCCCCCCCCC
Confidence	92478997136545864240466431688327872975046774289535410367999999164334219999955972760687555359519999991699996279999899981333698489994558576869999999621897456535748999961689962883898577249429999998168888987709999989988468898537998566713276999999968798388523799999745777787058747876251264453237888986567777887678777788742245451344455422112469999736651453422468999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKLGCVLMAWALYLSLGVLWVAQMLLAASFETLQCEGPVCTEESSCHTEDDLTDAREAGFQVKAYTFSEPFHLIVSYDWLILQGPAKPVFEGDLLVLRCQAWQDWPLTQVTFYRDGSALGPPGPNREFSITVVQKADSGHYHCSGIFQSPGPGIPETASVVAITVQELFPAPILRAVPSAEPQAGSPMTLSCQTKLPLQRSAARLLFSFYKDGRIVQSRGLSSEFQIPTASEDHSGSYWCEAATEDNQVWKQSPQLEIRVQGASSSAAPPTLNPAPQKSAAPGTAPEEAPGPLPPPPTPSSEDPGFSSPLGMPDPHLYHQMGLLLKHMQDVRVLLGHLLMELRELSGHRKPGTTKATAE
Prediction	66040303133230313121224303454220021413233553221343425341403130554542330303033432213134320332341233140455231210101134550524475344314504462234233202033445434441530302032214323030345331334430333240513244531301010114444045544425032450446223402120304423233431303020323345443240434454433453323424332422314346534233336344342344131004304414220110001045162424154354468
	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                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340

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

SS
Seq

CSSSSSSSSCCCCCCCCCSSCCCCSCCCCCSSSSSCCSSCCCCCSSSSCCCCCCCSSSSSSSSCCCCCCSSSSSSSCCCSSSSCCCCSSCCCCCSSSSSSSCCCCCCCSSSSSSCCSSCCCCCCCCSSSSCCCCHHHCSSSSSSSSSSCCCCCSSSSCCCSSSSSSCCCCCCSSSSCCCCSSSCCCSSSSSSSSSCCCCCCCCCSSSSSSSCCSSCCCCCCCCSSSSCCCCHHHCSSSSSSSSSCCCCSSSSCSSSSSSSSCCCCCCCCCSSSSCCCCCSSCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCSSSSSSSSSCCCCSSCCCCCCCCCC
MKLGCVLMAWALYLSLGVLWVAQMLLAASFETLQCEGPVCTEESSCHTEDDLTDAREAGFQVKAYTFSEPFHLIVSYDWLILQGPAKPVFEGDLLVLRCQAWQDWPLTQVTFYRDGSALGPPGPNREFSITVVQKADSGHYHCSGIFQSPGPGIPETASVVAITVQELFPAPILRAVPSAEPQAGSPMTLSCQTKLPLQRSAARLLFSFYKDGRIVQSRGLSSEFQIPTASEDHSGSYWCEAATEDNQVWKQSPQLEIRVQGASSSAAPPTLNPAPQKSAAPGTAPEEAPGPLPPPPTPSSEDPGFSSPLGMPDPHLYHQMGLLLKHMQDVRVLLGHLLMELRELSGHRKPGTTKATAE

3lafA

0.16

0.15

4.98

1.93

FFAS-3D

VLLNCSAESDR--GVPVIKWKKDGLILALGMDDRKQQLPNGSLLIQHSRHHKPDEGLYQCEASLGDSSRTAKVMVAGPLRFLSQTESTAFMGDTVLLKCEVIGD-PMPTIHWQKNQQDLNPIPPSGALQISRLQPGDSGVYRCSARNPASTRTGNEAEVRILSDPGLHRQLYFLQRPSNVIAIEGKDAVLECCVSGYPPP-----SFTWLRGEEVIQLRSKKYSLLISNVTDDDSGTYTCVVTYKNENISAS---AELTVLV------PPWFLNHPSNLYAYESMDIEFECAVSGKPVPTVNWMKNGDVVIPSDYQIVGGSNLRILGVV-------------KSDEGFYQCVAENEAGN

5k6xA

0.16

0.14

4.83

1.51

SPARKS-K

-----------QDDVPPYFKTEPVHLEGNRLVLTCMAEGSWPEFKWLHNNDRTHAGFYRCIVRNRMGQRQTEVQVAYMGSFEGEKRQSVNHGEAAVIRAPRISSFPRPQVTWFRDGRKIPPSTLENTLVILSTVAPDAGRYYVQAVNDKN--GDNKTSQPITLAVENVPIAPTIIIPKNTSVVAGTEVTMECVANARPL---IKLHIVWKKDGAPLSSGDYNRRLTIANPTVSDAGYYECEAMLRSSSVAPVTRGAYLSVLEPPQFVREPERHTAEMEKVVDIPCRAKGVPPPSALVEVGKLTRFKQRSDGGLQISGLLPDDTGMLQCFAHNAAGEAQTSTYLAVTS------------

4w4oC

0.39

0.26

7.74

3.71

CNFpred

---------------KAVIKLWVSVFQEESVTLHCEV--GSSSTQWFLNG-EDDSGEYRCQRGLSGRSDPIQLEVHRGWLLLQVSSRVLTEGEPLALRCHAWKDKLVYNVLYYRNGKAFKFFHWNSNLTILKTNMSHSGTYHCSGMGK-----HRYTSAGISVTVKELFPAPVLTASVTSPLLEGTPVTLSCETKLLLQRPGLQLYFSFYMGSKTLRGRDTSSEYQILTARREDSGLYWCEAATEDGNVLKRSPELELQVLG-------------------------------------------------------------------------------------------------

5k6xA

0.18

0.17

5.45

1.28

MUSTER

-----------QDDVPPYFKTEPVHLEGNRLVLTCMAEGSWPEFKWLHNNDRTHAGFYRCIVRNRMLQRQTEVQVAYMGSFEEGERQSVNHGEAAVIRAPRISSFPRPQVTWFRDGRKIPPSSLENTLVILSTVAPDAGRYYVQAVNDKN--GDNKTSQPITLAVENVPIAPTIIIPPKNTVAGTSEVTMECVANARP---LIKLHIVWKKDGAPLSSGDYNRRLTIANPTVSDAGYYECEAMLRSSSVAPVTRGAYLSVLEPPQFVREP---ERHITAEMEKVVDIPCRAKGVPPPSITWYKDAALVEVGKLTRKQRSDGGLQISGLL--PDDTGMLQCFAHNAAGEAQTSTYTS---

5o5gA

0.17

0.12

3.92

0.43

CEthreader

VSHNASLEVAILRDDFRQNPSDVMVAVGEPAVMECQPPRGEPTISWKKDGSPLDAGKYVCVGTNMVESEVAELTVLERPSFVKPSNLAVTVDDSAEFKCEARGD-PVPTVRWRKDDGELYEIRDDHTLKIRKVTAGDMGSYTCVAENMVG-----KAEASATLTVQE--PPHFVVKPRDQVVALGRTVTFQCEATGNPQ-----PAIFWRREGSQNLLFSQTGDLTITNVQRSDVGYYICQTLNVAG---SIITKAYLEVTG-------------------------------------------------------------------------------------------------

6grqA

0.17

0.14

4.67

0.80

EigenThreader

--------------SLPKPILRVQPDSWTKVTFFCEETIGANEYRLYKDGNKKPANKAEFSLSNVDLSNALKLVVTGTPSLLAQASPVVTSGGYVTLQCESWH--NDHKFILTVEGPNYSTR---KLFSVGPVTPNQRWICRCYSYD--RNRPYVPPSESVELLVSGNLQKPTIKAE----PGSKRAMTIWCQG------NLDAEVYFLHNEGSSTQTLNKGKFFIPSMTRQ-HAGQYRCYCYGSA-GWSQPSDTLELVVTGIYEHYKPDTGFSSSTGGNLSSEWSASSEPGQLPLTPSLSVDTKEGSAQQPLRR----------------------------CYGAQNSSFYLLSSAS

3rjdA

0.38

0.25

7.43

1.89

FFAS-3D

VTLHCEVLHLP--GSSSTQWFLNGTATQT-----------STPSYRITSASVNDSGEYRCQRGLSGRSDPIQLEIHRGWLLLQVSSRVFTEGEPLALRCHAWKDKLVYNVLYYRNGKAFKFFHWNSNLTILKTNISHNGTYHCSGMGKHRYTSAG-----ISVTVKELFPAPVLNASVTSPLLEGNLVTLSCETKLLLQ-----LYFSFYMGSKTLRGRNTSSEYQILTARREDSGLYWCEAATEDGNVLKRSPELELQVLG-------------------------------------------------------------------------------------------------

3rjdA

0.36

0.24

7.13

1.49

SPARKS-K

---------------KAVITLQPPWVQEETVTLHCEVLHGSSSTQWFLNGTANDSGEYRCQRGLSGRSDPIQLEIHRGWLLLQVSSRVFTEGEPLALRCHAWKDKLVYNVLYYRNGKAFKFFHWNSNLTILKTNISHNGTYHCSGMGKH-----RYTSAGISVTVKELFPAPVLNASVTSPLLEGNLVTLSCET-----KLLLQLYFSFYMGSKTLRGRNTSSEYQILTARREDSGLYWCEAATEDGNVLKRSPELELQVLG-------------------------------------------------------------------------------------------------

2rikA

0.18

0.11

3.72

3.58

CNFpred

-------------MAPPFFDLK-DLALGESGTFKCHVTGTPIKITWAKDN-KGDAGQYTCYASNGKDSCSAQLGVQEPPRFIK-PSRIVKQDEHTRYECKIGGS-PEIKVLWYKDETEIQES-SVAVLEMYNLSVEDSGDYTCEAHNA-----AGSASSSTSLKVKEP---PVFRKKPPVETLKGADVHLECELQGTP-----PFQVSWHKDKRELRS-NFLTSIHILNVDSADIGEYQCKASNDVG---SYTCVGSITLKA-------------------------------------------------------------------------------------------------

2wimA

0.14

0.09

3.05

0.83

DEthreader

-----------------VTISLKVELSGESKFFTCTASIDWYEKIIVIYNANIE-DAGIYRCQAQTQEATVVLEIYQKLTFRVVSPQEFKQGEDAEVVCRVSS-SPAPAVSWLYHTTISFAMLANNNLQILNINKSDEGIYRCEGRVEA---RGEIDFRDIIVIVNVPPAISMPQKSFNA-TAERGEEMTFSCRASGS--P--EPAISWFRNGKLIELKGSNTELTVRNIINSDGGPYVCRAT---NKAGEDEKQAFLQV---------------------------------------------------------------------------------------------------

(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	0.6425

(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	5k6uA	0.76	3.84	0.161	0.916	model1_5k6uA.pdb.gz
2	5k6xA	0.76	3.89	0.163	0.919	model1_5k6xA.pdb.gz
3	1cs6A	0.69	4.13	0.127	0.872	model1_1cs6A.pdb.gz
4	5e4iA	0.68	4.37	0.127	0.880	model1_5e4iA.pdb.gz
5	3p3yA	0.66	4.79	0.133	0.880	model1_3p3yA.pdb.gz
6	3jxaB	0.65	4.81	0.143	0.875	model1_3jxaB.pdb.gz
7	3dmkA	0.63	4.77	0.134	0.864	model1_3dmkA.pdb.gz
8	1bihA	0.61	5.44	0.123	0.877	model1_1bihA.pdb.gz
9	3lafA	0.60	5.23	0.097	0.847	model1_3lafA.pdb.gz
10	5ftxA	0.48	5.65	0.055	0.710	model1_5ftxA.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:0004872	0.69	receptor activity
GO:0004871	0.60	signal transducer activity
GO:0004888	0.58	transmembrane signaling receptor activity
GO:0046983	0.55	protein dimerization activity
GO:0042802	0.54	identical protein binding
GO:0097367	0.53	carbohydrate derivative 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	0.94	single-organism process
GO:0009987	0.92	cellular process
GO:0044763	0.89	single-organism cellular process
GO:0065007	0.81	biological regulation
GO:0050789	0.81	regulation of biological process
GO:0050794	0.79	regulation of cellular process
GO:0032502	0.74	developmental process
GO:0006928	0.73	movement of cell or subcellular component
GO:0044767	0.72	single-organism developmental process
GO:0007411	0.70	axon guidance
GO:0048856	0.67	anatomical structure development
GO:0051179	0.64	localization
GO:0048518	0.64	positive regulation of biological process
GO:0016043	0.63	cellular component organization
GO:0050896	0.62	response to stimulus
GO:0048522	0.61	positive regulation of cellular process
GO:0048869	0.60	cellular developmental process
GO:0048583	0.60	regulation of response to stimulus
GO:0032501	0.60	multicellular organismal process
GO:0007155	0.60	cell adhesion
GO:0051239	0.59	regulation of multicellular organismal process
GO:0051128	0.58	regulation of cellular component organization
GO:0009653	0.58	anatomical structure morphogenesis
GO:0008104	0.57	protein localization
GO:2000026	0.56	regulation of multicellular organismal development
GO:0045595	0.56	regulation of cell differentiation
GO:0034613	0.56	cellular protein localization
GO:0019222	0.56	regulation of metabolic process
GO:0008152	0.56	metabolic process
GO:0006810	0.56	transport
GO:0044707	0.55	single-multicellular organism process
GO:0031323	0.55	regulation of cellular metabolic process
GO:0080090	0.54	regulation of primary metabolic process
GO:0071205	0.54	protein localization to juxtaparanode region of axon
GO:0060255	0.54	regulation of macromolecule metabolic process
GO:0050767	0.54	regulation of neurogenesis
GO:0048584	0.54	positive regulation of response to stimulus
GO:0048519	0.54	negative regulation of biological process
GO:0048468	0.54	cell development
GO:0008037	0.54	cell recognition
GO:0071704	0.53	organic substance metabolic process
GO:0048523	0.53	negative regulation of cellular process
GO:0044237	0.53	cellular metabolic process
GO:0023051	0.53	regulation of signaling
GO:0022603	0.53	regulation of anatomical structure morphogenesis
GO:0010975	0.53	regulation of neuron projection development
GO:0010646	0.53	regulation of cell communication
GO:0010604	0.53	positive regulation of macromolecule metabolic process
GO:0006897	0.53	endocytosis
GO:0050770	0.52	regulation of axonogenesis
GO:0031325	0.52	positive regulation of cellular metabolic process
GO:0009966	0.52	regulation of signal transduction
GO:0006996	0.52	organelle organization
GO:1902589	0.51	single-organism organelle organization
GO:0042221	0.51	response to chemical
GO:0040011	0.51	locomotion
GO:0003008	0.51	system process
GO:0065008	0.50	regulation of biological quality
GO:0048666	0.50	neuron development
GO:0044710	0.50	single-organism metabolic process
GO:0044260	0.50	cellular macromolecule metabolic process
GO:0016477	0.50	cell migration
GO:0010468	0.50	regulation of gene expression
GO:0010033	0.50	response to organic substance
GO:0009967	0.50	positive regulation of signal transduction
GO:0007010	0.50	cytoskeleton 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:0044464	0.95	cell part
GO:0044424	0.72	intracellular part
GO:0044425	0.59	membrane part
GO:0016020	0.49	membrane
GO:0043226	0.48	organelle
GO:0043227	0.44	membrane-bounded organelle
GO:0044459	0.42	plasma membrane part
GO:0043229	0.35	intracellular organelle
GO:0031224	0.35	intrinsic component of membrane
GO:0016021	0.34	integral component of membrane
GO:0005886	0.32	plasma membrane
GO:0043231	0.30	intracellular membrane-bounded organelle

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	2azdB	0.329	7.29	0.039	0.591	2.4.1.1	NA
2	0.060	2cseW	0.396	6.59	0.050	0.646	3.6.4.13	NA
3	0.060	1oacB	0.325	5.94	0.030	0.493	1.4.3.21 1.4.3.6	NA
4	0.060	1kblA	0.341	6.47	0.040	0.543	2.7.9.1	NA
5	0.060	2o26U	0.367	5.39	0.081	0.521	2.7.10.1	91,93,95,131

	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	0.01	1t3tA	0.396	6.41	0.034	0.643	0.16	ADP	complex1.pdb.gz	87,88,92,138,139
2	0.01	2ibfA	0.247	5.54	0.043	0.362	0.22	III	complex2.pdb.gz	92,93,95,126,144
3	0.01	3rf3A	0.235	5.77	0.027	0.356	0.11	III	complex3.pdb.gz	194,235,236,255
4	0.01	2qkiA	0.406	6.63	0.059	0.680	0.16	III	complex4.pdb.gz	85,144,145
5	0.01	1t01A	0.251	5.22	0.058	0.356	0.11	III	complex5.pdb.gz	137,140,141,142
6	0.01	1zw2A	0.248	5.46	0.059	0.359	0.13	III	complex6.pdb.gz	190,234,237
7	0.01	2gwwA	0.247	5.52	0.049	0.362	0.13	III	complex7.pdb.gz	184,188,189
8	0.01	1jyxA	0.383	5.77	0.030	0.579	0.17	IPT	complex8.pdb.gz	187,189,236
9	0.01	1rke1	0.199	5.07	0.057	0.279	0.14	III	complex9.pdb.gz	95,131,138
10	0.01	3e1f4	0.388	5.78	0.036	0.585	0.32	MG	complex10.pdb.gz	236,238,257

	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.