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 :C4_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 C4_S1
Complex: IMD_A_4(1WEG) / Model_14(1WEG/A) = [4.0] Download398.1337.43MNKEWEKWTDKETKEFQDQFIQWYEQEKRNLPWRYNRDPYRIWISEIMLQQTRVDTVIDYFYRFMEWFPTIEELANAPEEKLLKAWEGLGYYSRARNIQAAAKQIMSEFDGEMPQTPEEISSLKGIGPYTTGAIASIAFGLPEPAVDGNVMRVVSRLFCIEADIAKASSRKIFDEAMRKIIDEKHPGEFNQAMMDLGSAICTPTSPKCETCPIQAFCLANKRGIQTSFPVKTKKAKPKDVYYISAALQNHSGAYYFEERDSQKLLANMWTFPMMEVTQEEYERLKKEWETKPEIDLFDDLVAEEEQNLPFEKQELFVWQTRHLGEVTHIFSHLKWHVLLFYGRATEGAEQEFTENKTSKWLKPDAFDSVVFPKVQMKLVDQLEKNRNNRNPF
Consensus
[pKd Mean = 4.00]		-398
(s=0)		37
(s=0)		MNKEWEKWTDKETKEFQDQFIQWYEQEKRNLPWRYNRDPYRIWISEIMLQQTRVDTVIDYFYRFMEWFPTIEELANAPEEKLLKAWEGLGYYSRARNIQAAAKQIMSEFDGEMPQTPEEISSLKGIGPYTTGAIASIAFGLPEPAVDGNVMRVVSRLFCIEADIAKASSRKIFDEAMRKIIDEKHPGEFNQAMMDLGSAICTPTSPKCETCPIQAFCLANKRGIQTSFPVKTKKAKPKDVYYISAALQNHSGAYYFEERDSQKLLANMWTFPMMEVTQEEYERLKKEWETKPEIDLFDDLVAEEEQNLPFEKQELFVWQTRHLGEVTHIFSHLKWHVLLFYGRATEGAEQEFTENKTSKWLKPDAFDSVVFPKVQMKLVDQLEKNRNNRNPF



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]
LYS28NZ513[C], 2[N],
LYS28CE211[C], 1[N],
LEU31CD1412[C], 2[N],
LEU31CG111[N],
TRP33CE2513[C], 2[N],
TRP33CD2312[N], 1[C],
TRP33NE1513[C], 2[N],
TRP33CG311[C], 2[N],
TRP33CD1513[C], 2[N],
TRP33CZ2512[N], 3[C],
ARG34CG111[C],
ARG34CD211[N], 1[C],
ILE42CG2111[C],
SER45OG412[C], 2[N],
GLU46CG512[N], 3[C],
GLU46OE2512[N], 3[C],
GLU46CD513[C], 2[N],
GLU46OE1512[N], 3[C],
LEU49CD1512[N], 3[C],
LEU49CD2513[C], 2[N],
LEU49CG513[C], 2[N],
GLN50CG211[N], 1[C],
VAL54CG2411[N], 3[C],
VAL54CG1211[C], 1[N],
TYR129CE2513[C], 2[N],
TYR129CZ512[N], 3[C],
TYR129CD2211[N], 1[C],
ILE137CG1311[C], 2[N],
ILE137CD1512[N], 3[C],
ILE137CG2111[C],
ASP147CG512[N], 3[C],
ASP147OD1512[N], 3[C],
ASP147OD2512[N], 3[C],
ASN149CG412[C], 2[N],
ASN149ND2512[N], 3[C],
ASN149OD1212[C],
VAL150CG2111[C],
GLN191CD512[N], 3[C],
GLN191CG512[N], 3[C],
GLN191NE2513[C], 2[N],
GLN191OE1512[N], 3[C],
MET194CE513[C], 2[N],
MET194CG512[N], 3[C],
MET194SD512[N], 3[C],
ASP195OD1513[C], 2[N],
ASP195OD2311[N], 2[C],
ASP195CG512[N], 3[C],
SER198OG513[C], 2[N],
Total = 48



Download csv file of statistical distribution of contacts