Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_B_11(5U2W) / Model_86(5U2W/B) = [3.7] Download97.2731.15MSAQSKVLITGASSGIGSVYADRFAQRGYHLILVARDTNRLDKISKDLQEKYGLQVEFIQADLSNDQDIRKIEDVLKNDADIEILVNNAGIALNGNFLTQDRNEIEKLLTLNITAVVRLSHAMSQSLIRKGKGAIINLGSVLGLAPEFGSTIYGASKSFIQFFSQGLHLELKDHGVHVQAVLPSATKTEIWERSGIDLSQVPPLMDVNDLVDAALIGFDRKETITIPVLKDENQWNNFEKSRMTLLPNFSSAEVAQRYKN
Consensus
[pKd Mean = 3.70]		-97
(s=0)		31
(s=0)		MSAQSKVLITGASSGIGSVYADRFAQRGYHLILVARDTNRLDKISKDLQEKYGLQVEFIQADLSNDQDIRKIEDVLKNDADIEILVNNAGIALNGNFLTQDRNEIEKLLTLNITAVVRLSHAMSQSLIRKGKGAIINLGSVLGLAPEFGSTIYGASKSFIQFFSQGLHLELKDHGVHVQAVLPSATKTEIWERSGIDLSQVPPLMDVNDLVDAALIGFDRKETITIPVLKDENQWNNFEKSRMTLLPNFSSAEVAQRYKN



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
THR10CG2111[C],
THR10OG1412[C], 2[O],
LEU63CG212[C],
LEU63CD1412[C], 2[O],
LEU63CD2212[C],
VAL86CG1211[O], 1[C],
ASN87OD1311[O], 2[C],
ASN87CG412[C], 2[O],
ASN87ND2312[C], 1[O],
ASN88OD1412[O], 2[C],
ASN88ND2311[O], 2[C],
ASN88CG412[C], 2[O],
ILE91CG1211[O], 1[C],
LEU111CG111[C],
ASN112ND2412[C], 2[O],
ASN112CG412[C], 2[O],
ASN112OD1412[C], 2[O],
ILE113CD1312[C], 1[O],
ILE113CG2111[O],
ILE113CG1211[O], 1[C],
VAL116CG1412[O], 2[C],
VAL116CG2412[O], 2[C],
LEU119CD1111[C],
ASN137CG412[C], 2[O],
ASN137OD1412[O], 2[C],
ASN137ND2412[O], 2[C],
LEU138CG412[O], 2[C],
LEU138CD1211[O], 1[C],
LEU138CD2412[C], 2[O],
TYR153CD1111[O],
TYR153CE1312[O], 1[C],
TYR153CZ212[O],
SER156OG312[C], 1[O],
LYS157NZ412[O], 2[C],
LYS157CD412[O], 2[C],
LYS157CG412[C], 2[O],
LYS157CE412[O], 2[C],
ILE160CD1412[C], 2[O],
ILE160CG2412[O], 2[C],
ILE160CG1412[C], 2[O],
PRO183CD111[O],
Total = 41



Download csv file of statistical distribution of contacts