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: NAP_E_5(1EDO) / Model_2(1EDO/A) = [12.6] Download1416.1812.57MKLEHKNIFITGSSRGIGLAIAHKFAQAGANIVLNSRGAISEELLAEFSNYGIKVVPISGDVSDFADAKRMIDQAIAELGSVDVLVNNAGITQDTLMLKMTEADFEKVLKVNLTGAFNMTQSVLKPMMKAREGAIINMSSVVGLMGNIGQANYAASKAGLIGFTKSVAREVASRNIRVNVIAPGMIESDMTAILSDKIKEATLAQIPMKEFGQAEQVADLTVFLAGQDYLTGQVIAIDGGLSM
Consensus
[pKd Mean = 12.60]		-1416
(s=0)		12
(s=0)		MKLEHKNIFITGSSRGIGLAIAHKFAQAGANIVLNSRGAISEELLAEFSNYGIKVVPISGDVSDFADAKRMIDQAIAELGSVDVLVNNAGITQDTLMLKMTEADFEKVLKVNLTGAFNMTQSVLKPMMKAREGAIINMSSVVGLMGNIGQANYAASKAGLIGFTKSVAREVASRNIRVNVIAPGMIESDMTAILSDKIKEATLAQIPMKEFGQAEQVADLTVFLAGQDYLTGQVIAIDGGLSM



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]
THR11CG2412[N], 2[C],
THR11OG11212[O], 3[N], 7[C],
SER13OG513[O], 2[C],
SER14OG2219[C], 8[O], 2[P], 3[N],
ARG15CG2011[N], 11[O], 3[P], 5[C],
ARG15NE2216[C], 3[P], 12[O], 1[N],
ARG15CZ2313[P], 12[O], 2[N], 6[C],
ARG15CD1915[C], 11[O], 3[P],
ILE17CG22117[O], 1[P], 2[N], 11[C],
ILE17CD12612[N], 10[O], 2[P], 12[C],
ILE17CG125111[C], 10[O], 2[P], 2[N],
LEU19CD2111[O],
LEU19CG111[O],
LEU19CD1111[O],
ILE21CD1412[O], 2[C],
ASN35OD12019[C], 1[P], 5[O], 5[N],
ASN35CG1717[C], 1[P], 5[O], 4[N],
ASN35ND21314[N], 1[P], 3[O], 5[C],
SER36OG1918[C], 5[N], 5[O], 1[P],
ARG37CD1013[C], 2[N], 4[O], 1[P],
ARG37NE1013[C], 4[O], 1[P], 2[N],
ARG37CZ412[O], 1[P], 1[N],
ARG37CG1315[C], 1[P], 4[O], 3[N],
ILE40CG1312[O], 1[P],
ILE40CG2511[P], 4[O],
ILE40CD1511[P], 4[O],
SER41OG811[P], 5[O], 2[C],
LEU44CD1111[O],
SER59OG212[O],
ASP61OD1814[N], 4[C],
ASP61OD21015[C], 5[N],
ASP61CG1015[N], 5[C],
VAL62CG21216[C], 5[N], 1[O],
VAL62CG1914[C], 5[N],
SER63OG613[C], 3[N],
ASP64OD1111[N],
ASP64CG111[N],
ASP64OD2311[C], 2[N],
ASP67OD1412[N], 2[C],
ASP67CG111[N],
MET71CE111[C],
MET71SD312[N], 1[C],
ASN88OD12612[P], 11[O], 1[N], 12[C],
ASN88CG2612[N], 10[O], 2[P], 12[C],
ASN88ND231113[C], 2[P], 13[O], 3[N],
ILE91CG1912[O], 3[N], 4[C],
ILE91CG22615[N], 1[P], 8[O], 12[C],
ILE91CD1512[N], 3[C],
THR92OG1212[O],
THR92CG21619[C], 2[N], 5[O],
LYS110CG111[N],
LYS110CE111[N],
VAL111CG11417[C], 5[N], 2[O],
VAL111CG21015[C], 5[N],
ASN112OD11217[C], 2[N], 3[O],
ASN112ND2612[O], 4[C],
ASN112CG612[O], 4[C],
MET119CG111[C],
MET119SD111[C],
MET138CE16110[C], 1[N], 5[O],
MET138SD1213[O], 1[N], 8[C],
MET138CG1311[N], 4[O], 8[C],
SER139OG312[C], 1[O],
SER140OG1312[N], 3[O], 8[C],
VAL141CG2212[C],
VAL141CG1212[C],
VAL142CG2414[C],
TYR153CD2911[N], 1[O], 7[C],
TYR153CE21414[O], 1[N], 9[C],
TYR153CE11511[N], 4[O], 10[C],
TYR153CG611[O], 1[N], 4[C],
TYR153CZ17110[C], 2[N], 5[O],
TYR153CD11011[N], 2[O], 7[C],
LYS157CD1218[C], 3[O], 1[N],
LYS157CG815[C], 1[N], 2[O],
LYS157CE15110[C], 4[O], 1[N],
LYS157NZ15110[C], 4[O], 1[N],
LEU160CD2111[O],
ILE181CG2111[C],
PRO183CG18111[C], 5[O], 2[N],
PRO183CD17110[C], 5[O], 2[N],
MET185CG611[O], 1[N], 4[C],
MET185CE513[C], 1[O], 1[N],
MET185SD715[C], 1[O], 1[N],
ILE186CG11412[N], 4[O], 1[P], 7[C],
ILE186CG21618[C], 1[P], 5[O], 2[N],
ILE186CD11417[C], 4[O], 1[P], 2[N],
SER188OG25112[C], 2[N], 2[P], 9[O],
ASP189OD1511[P], 4[O],
ASP189CG911[C], 6[O], 2[P],
ASP189OD21218[O], 2[P], 2[C],
MET190CE2712[N], 11[O], 2[P], 12[C],
MET190SD29113[C], 2[N], 12[O], 2[P],
MET190CG27111[O], 2[P], 2[N], 12[C],
THR191OG11011[P], 2[O], 2[N], 5[C],
THR191CG2512[C], 2[O], 1[N],
ILE193CG1111[O],
ILE193CD1312[O], 1[P],
LEU194CD2111[O],
PHE211CD2111[O],
VAL217CG21213[O], 2[N], 7[C],
VAL217CG11012[O], 1[N], 7[C],
ILE237CD1313[C],
Total = 103



Download csv file of statistical distribution of contacts