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: FAD_A_2(3TX1) / Model_30(3TX1/A) = [13.2] Download487.7635.97MSVREKMLEILEGIDIRFKEPLHSYSYTKVGGEADYLVFPRNRFELARVVKFANQENIPWMVLGNASNIIVRDGGIRGFVILCDKLNNVSVDGYTIEAEAGANLIETTRIALRHSLTGFEFACGIPGSVGGAVFMNAGAYGGEIAHILQSCKVLTKDGEIETLSAKDLAFGYRHSAIQESGAVVLSVKFALAPGTHQVIKQEMDRLTHLRELKQPLEYPSCGSVFKRPVGHFAGQLISEAGLKGYRIGGVEVSEKHAGFMINVADGTAKDYEDLIQSVIEKVKEHSGITLEREVRILGESLSVAKMYAGGFTPCKR
Consensus
[pKd Mean = 13.20]		-487
(s=0)		35
(s=0)		MSVREKMLEILEGIDIRFKEPLHSYSYTKVGGEADYLVFPRNRFELARVVKFANQENIPWMVLGNASNIIVRDGGIRGFVILCDKLNNVSVDGYTIEAEAGANLIETTRIALRHSLTGFEFACGIPGSVGGAVFMNAGAYGGEIAHILQSCKVLTKDGEIETLSAKDLAFGYRHSAIQESGAVVLSVKFALAPGTHQVIKQEMDRLTHLRELKQPLEYPSCGSVFKRPVGHFAGQLISEAGLKGYRIGGVEVSEKHAGFMINVADGTAKDYEDLIQSVIEKVKEHSGITLEREVRILGESLSVAKMYAGGFTPCKR



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]
SER26OG311[P], 2[O],
TYR27CE214110[C], 2[O], 2[N],
TYR27CD213110[C], 2[O], 1[N],
TYR27CD11112[O], 1[P], 8[C],
TYR27CG1319[C], 1[P], 3[O],
TYR27CE11119[C], 2[O],
TYR27CZ1112[O], 9[C],
THR28CG2212[C],
LEU46CD1111[N],
LEU46CD2312[N], 1[C],
TRP60CZ2811[O], 3[N], 4[C],
TRP60CZ31115[C], 5[N], 1[O],
TRP60CE3412[N], 1[O], 1[C],
MET61CE412[O], 2[C],
MET61SD1216[C], 4[O], 2[N],
MET61CG813[O], 1[N], 4[C],
VAL62CG12215[N], 6[O], 10[C], 1[P],
VAL62CG21518[C], 5[N], 2[O],
LEU63CD11716[C], 2[P], 2[N], 7[O],
LEU63CG1512[N], 7[O], 2[P], 4[C],
LEU63CD2312[O], 1[P],
ASN65OD1916[O], 1[N], 2[P],
ASN65CG912[P], 1[C], 6[O],
ASN65ND21012[P], 2[C], 6[O],
SER67OG32117[C], 2[P], 3[N], 10[O],
ASN68ND231112[O], 2[N], 2[P], 15[C],
ASN68CG32112[O], 2[N], 16[C], 2[P],
ASN68OD129116[C], 2[P], 2[N], 9[O],
ILE69CG11211[P], 4[C], 7[O],
ILE69CG21616[C], 2[P], 8[O],
ILE69CD11317[O], 5[C], 1[P],
ILE81CG2111[N],
LEU82CD1411[N], 2[O], 1[C],
CYS83SG714[C], 3[N],
LEU86CD1111[N],
ASN103OD1111[O],
LEU104CD1111[O],
LEU104CG513[O], 2[C],
LEU104CD21512[N], 5[O], 8[C],
PHE121CE1211[O], 1[N],
PHE121CD1512[C], 1[N], 2[O],
ILE125CD12015[O], 4[N], 11[C],
ILE125CG22614[N], 6[O], 16[C],
ILE125CG12214[N], 5[O], 13[C],
PRO126CG27117[C], 4[N], 6[O],
PRO126CD28117[C], 4[N], 7[O],
SER128OG27111[C], 2[P], 9[O], 5[N],
VAL129CG1211[N], 1[C],
VAL133CG2412[N], 2[C],
VAL133CG1512[N], 3[C],
PHE134CE22116[O], 4[N], 1[P], 10[C],
PHE134CD119110[C], 4[O], 5[N],
PHE134CG2215[N], 5[O], 1[P], 11[C],
PHE134CE118110[C], 4[O], 4[N],
PHE134CZ1814[O], 4[N], 10[C],
PHE134CD22712[P], 11[C], 10[O], 4[N],
MET135CG3612[P], 15[C], 14[O], 5[N],
MET135CE21111[C], 8[O], 2[N],
MET135SD27112[C], 2[P], 10[O], 3[N],
TYR140CE2111[O],
TYR140CD2111[O],
TYR140CE1412[N], 1[O], 1[C],
TYR140CZ211[C], 1[O],
TYR140CG111[O],
TYR140CD1311[N], 1[O], 1[C],
GLU143OE2111[O],
GLU143CG111[O],
GLU143CD111[O],
ILE144CD1111[O],
ILE144CG1212[O],
CYS151SG111[N],
VAL153CG2412[N], 2[C],
ARG173NE1316[C], 4[N], 3[O],
ARG173CG1015[C], 2[N], 3[O],
ARG173CD1413[O], 4[N], 7[C],
ARG173CZ912[O], 3[N], 4[C],
SER175OG111[N],
ILE177CG1412[N], 2[C],
ILE177CG21015[C], 1[O], 4[N],
ILE177CD1111[C],
GLN178CD312[O], 1[C],
GLN178CG612[O], 1[N], 3[C],
GLN178NE2311[C], 2[O],
VAL183CG2713[N], 4[C],
VAL183CG11015[C], 5[N],
VAL184CG1814[C], 4[N],
VAL184CG21216[C], 1[O], 5[N],
LEU185CD2312[N], 1[C],
LEU185CG312[N], 1[C],
VAL187CG1111[N],
ARG210CG811[O], 1[N], 6[C],
ARG210CZ1814[N], 3[O], 11[C],
ARG210NE1311[O], 3[N], 9[C],
ARG210CD1011[O], 1[N], 8[C],
GLN214NE214110[C], 1[O], 3[N],
GLN214CG811[O], 1[N], 6[C],
GLN214CD14110[C], 1[O], 3[N],
GLN214OE11513[N], 1[O], 11[C],
PRO215CG212[C],
PRO215CD313[C],
LEU216CD2911[N], 8[C],
LEU216CD1313[C],
LEU216CG414[C],
SER220OG1018[C], 2[N],
CYS221SG313[C],
SER223OG312[C], 1[N],
PHE259CD2918[C], 1[N],
PHE259CZ1411[O], 2[N], 11[C],
PHE259CE21212[N], 10[C],
PHE259CE11219[C], 1[O], 2[N],
PHE259CD1911[N], 8[C],
PHE259CG818[C],
GLU293CD1013[N], 2[O], 5[C],
GLU293CG1112[N], 2[O], 7[C],
GLU293OE2512[O], 1[N], 2[C],
GLU293OE11419[C], 2[O], 3[N],
VAL294CG2312[C], 1[O],
ARG295CD1015[C], 5[O],
ARG295CG1417[O], 1[N], 1[P], 5[C],
ARG295NE914[O], 5[C],
ARG295CZ815[C], 3[O],
LEU297CD1915[C], 4[O],
LEU297CD2412[C], 2[O],
LEU297CG412[C], 2[O],
Total = 124



Download csv file of statistical distribution of contacts