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 :C2_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 C2_S1
Complex: NAP_C_14(4NHE) / Model_21(4NHE/C) = [10.0] Download1701.0319.29MKFSPLCWIVPSIYVIMKEGFKIGKGVFMLKLGVIGTGAISHHFIEAAHTSGEYQLVAIYSRKLETAATFASRYQNIQLFDQLEVFFKSSFDLVYIASPNSLHFAQAKAALSAGKHVILEKPAVSQPQEWFDLIQTAEKNNCFIFEAARNYHEKAFTTIKNFLADKQVLGADFNYAKYSSKMPDLLAGQTPNVFSDRFAGGALMDLGIYPLYAAVRLFGKANDATYHAQQLDNSIDLNGDGILFYPDYQVHIKAGKNITSNLPCEIYTTDGTLTLNTIEHIRSAIFTDHQGNQVQLPIQQAPHTMTEEVAAFAHMIQQPDLNLYQTWLYDAGSVHELLYTMRQTAGIRFEAEK
Consensus
[pKd Mean = 10.00]		-1701
(s=0)		19
(s=0)		MKFSPLCWIVPSIYVIMKEGFKIGKGVFMLKLGVIGTGAISHHFIEAAHTSGEYQLVAIYSRKLETAATFASRYQNIQLFDQLEVFFKSSFDLVYIASPNSLHFAQAKAALSAGKHVILEKPAVSQPQEWFDLIQTAEKNNCFIFEAARNYHEKAFTTIKNFLADKQVLGADFNYAKYSSKMPDLLAGQTPNVFSDRFAGGALMDLGIYPLYAAVRLFGKANDATYHAQQLDNSIDLNGDGILFYPDYQVHIKAGKNITSNLPCEIYTTDGTLTLNTIEHIRSAIFTDHQGNQVQLPIQQAPHTMTEEVAAFAHMIQQPDLNLYQTWLYDAGSVHELLYTMRQTAGIRFEAEK



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]
ILE35CG21417[C], 1[P], 4[O], 2[N],
THR37OG11919[O], 2[N], 1[P], 7[C],
THR37CG21216[O], 1[P], 5[C],
ILE40CG122111[C], 1[P], 2[N], 8[O],
ILE40CD12016[O], 2[N], 1[P], 11[C],
ILE40CG230112[O], 2[N], 2[P], 14[C],
SER41OG1215[C], 1[P], 6[O],
HIS43CG211[C], 1[O],
HIS43NE2111[C],
HIS43CD2514[C], 1[O],
PHE44CD1111[N],
ILE59CG2211[O], 1[P],
TYR60CZ613[O], 1[N], 1[P], 1[C],
TYR60CD1212[O],
TYR60CE1212[O],
TYR60CE21115[O], 1[N], 1[P], 4[C],
TYR60CD2811[N], 4[O], 2[C], 1[P],
TYR60CG312[O], 1[P],
SER61OG1411[P], 5[C], 2[N], 6[O],
ARG62CD2015[N], 5[O], 9[C], 1[P],
ARG62CZ2315[N], 7[O], 10[C], 1[P],
ARG62CG1915[N], 5[O], 8[C], 1[P],
ARG62NE2317[O], 5[N], 1[P], 10[C],
LYS63CD413[O], 1[P],
LYS63CE111[O],
LYS63CG413[O], 1[P],
LYS63NZ111[O],
THR66OG1711[P], 1[C], 5[O],
THR66CG21014[C], 1[P], 5[O],
PHE70CD2111[O],
PHE70CE1212[O],
PHE70CG212[O],
PHE70CD1313[O],
TYR95CD2111[O],
TYR95CE2712[N], 1[O], 4[C],
TYR95CD1111[O],
TYR95CE1812[N], 1[O], 5[C],
TYR95CZ1111[O], 2[N], 8[C],
ILE96CG2211[O], 1[C],
SER98OG19111[C], 3[N], 5[O],
PRO99CD35113[C], 3[P], 5[N], 14[O],
PRO99CG3315[N], 12[O], 13[C], 3[P],
ASN100CG1411[P], 6[C], 6[O], 1[N],
ASN100ND21111[N], 5[O], 5[C],
ASN100OD11818[O], 1[N], 2[P], 7[C],
SER101OG613[C], 3[N],
LEU102CG1216[C], 1[O], 5[N],
LEU102CD11315[N], 2[O], 6[C],
LEU102CD2713[N], 4[C],
HIS103ND1915[C], 3[O], 1[N],
HIS103NE21718[C], 1[P], 1[N], 7[O],
HIS103CE11317[C], 5[O], 1[N],
HIS103CD21015[C], 5[O],
HIS103CG813[O], 5[C],
GLN106CG211[C], 1[N],
GLN106OE1511[O], 1[N], 3[C],
GLN106NE21015[C], 2[O], 3[N],
GLN106CD511[O], 2[N], 2[C],
LEU119CG111[O],
LEU119CD1111[O],
GLU120OE118111[C], 2[N], 5[O],
GLU120CD1815[O], 2[N], 11[C],
GLU120OE21812[N], 5[O], 11[C],
GLU120CG1911[P], 11[C], 5[O], 2[N],
LYS121NZ1812[N], 5[O], 11[C],
LYS121CG16110[C], 2[N], 4[O],
LYS121CD18111[C], 2[N], 5[O],
LYS121CE1612[N], 4[O], 10[C],
PRO122CG612[O], 4[C],
PRO122CD1117[C], 3[O], 1[N],
ARG149NE916[C], 1[O], 2[N],
ARG149CG611[N], 1[O], 4[C],
ARG149CZ715[C], 1[O], 1[N],
ARG149CD815[C], 1[O], 2[N],
TYR175CE2311[O], 2[C],
TYR175CZ111[O],
SER180OG111[O],
LYS181CG313[O],
LYS181CD413[O], 1[P],
LYS181CE715[O], 2[P],
LYS181NZ712[P], 5[O],
ASN192CG23110[C], 2[P], 5[N], 6[O],
ASN192OD11611[P], 6[C], 4[O], 5[N],
ASN192ND22815[N], 10[O], 11[C], 2[P],
VAL193CG21116[O], 3[C], 2[P],
VAL193CG1313[O],
ARG197NE111[N],
PHE198CZ1115[C], 1[O], 5[N],
PHE198CD11312[O], 5[N], 1[P], 5[C],
PHE198CG1211[P], 5[C], 5[N], 1[O],
PHE198CD2813[N], 1[O], 4[C],
PHE198CE11315[N], 2[O], 6[C],
PHE198CE2915[C], 3[N], 1[O],
ASP205OD11213[O], 1[N], 8[C],
ASP205CG1615[O], 1[N], 1[P], 9[C],
ASP205OD22117[O], 2[N], 1[P], 11[C],
LEU206CD2916[C], 2[O], 1[N],
ILE208CD1111[O],
ILE208CG2211[O], 1[C],
TYR209CD2614[C], 1[O], 1[N],
TYR209CG412[C], 1[N], 1[O],
TYR209CE21212[O], 2[N], 8[C],
TYR209CZ1117[C], 2[N], 2[O],
TYR209CE1714[C], 1[O], 2[N],
TYR209CD1511[N], 1[O], 3[C],
LYS256NZ111[O],
GLU279OE2211[C], 1[O],
GLU279CD111[O],
THR304OG1511[O], 1[N], 3[C],
THR304CG2311[O], 1[N], 1[C],
MET305CE1112[O], 2[N], 7[C],
MET305CG614[C], 1[N], 1[O],
MET305SD812[N], 1[O], 5[C],
GLU308CD311[O], 1[N], 1[C],
GLU308CG111[N],
GLU308OE2511[O], 1[N], 3[C],
GLU308OE1311[N], 1[O], 1[C],
Total = 117



Download csv file of statistical distribution of contacts