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 :C6_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 C6_S1
Complex: COA_A_3(4XL4) / Model_7(4XL4/A) = [6.2] Download1973.7230.92MTLKNAYIIDAIRTPFGRYAGGLASVRADDLGAVPIKALMQRNPNVDWEQVDDVIYGCANQAGEDNRNVGRMSALLAGLPYQVPATTINRLCGSSLDAIAIAARAIKAGEANLVIAGGVESMSRAPYVMGKSDSAFGRSQKIEDTTMGWRFINPKLKELYGVDTMPQTAENVAEQFNVNRADQDQFALVSQQRTASAQAKGFFSKEIVAVEIPQRKGDAVVIDTDEHPRASTTLEGLSKLKPVVKADGTVTAGNASGINDGAAALLIASDDAVQAYNLKPRAKIIASTAVGVEPRIMGFAPAPAIKKLFKQANLTLDQMDVIELNEAFAAQALAVTRDLGLPDNSDKVNPNGGAIALGHPLGASGARLVTTALNQLEQTGGRYALCSMCIGVGQGIALIIERV
Consensus
[pKd Mean = 6.20]		-1973
(s=0)		30
(s=0)		MTLKNAYIIDAIRTPFGRYAGGLASVRADDLGAVPIKALMQRNPNVDWEQVDDVIYGCANQAGEDNRNVGRMSALLAGLPYQVPATTINRLCGSSLDAIAIAARAIKAGEANLVIAGGVESMSRAPYVMGKSDSAFGRSQKIEDTTMGWRFINPKLKELYGVDTMPQTAENVAEQFNVNRADQDQFALVSQQRTASAQAKGFFSKEIVAVEIPQRKGDAVVIDTDEHPRASTTLEGLSKLKPVVKADGTVTAGNASGINDGAAALLIASDDAVQAYNLKPRAKIIASTAVGVEPRIMGFAPAPAIKKLFKQANLTLDQMDVIELNEAFAAQALAVTRDLGLPDNSDKVNPNGGAIALGHPLGASGARLVTTALNQLEQTGGRYALCSMCIGVGQGIALIIERV



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]
ARG18CZ111[O],
ARG18CB111[O],
ARG18NE212[O],
ARG18CA111[O],
ARG18CG111[O],
ARG18CD212[O],
TYR19CE1111[O],
TYR19CG911[C], 2[P], 6[O],
TYR19CD1311[P], 2[O],
TYR19CA313[O],
TYR19CE2916[O], 2[P], 1[C],
TYR19CZ312[O], 1[P],
TYR19N411[P], 3[O],
TYR19CB916[O], 2[P], 1[C],
TYR19C313[O],
TYR19O411[P], 3[O],
TYR19CD21117[O], 2[P], 2[C],
LEU91C111[S],
LEU91CB111[S],
LEU91CD1111[S],
CYS92SG611[S], 1[N], 3[C], 1[O],
CYS92N311[S], 2[C],
CYS92C111[S],
CYS92CA312[C], 1[S],
CYS92CB411[N], 2[C], 1[S],
MET122SD413[C], 1[N],
MET122CE1016[C], 2[N], 2[O],
GLU143OE2111[O],
PHE151CD2711[N], 4[C], 2[O],
PHE151CZ1113[O], 2[N], 6[C],
PHE151CE1411[N], 3[C],
PHE151CE21112[N], 6[C], 3[O],
ILE152CG1111[O],
ILE152CD1211[O], 1[C],
LYS155CA311[S], 1[N], 1[C],
LYS155CG111[C],
LYS155CE211[N], 1[C],
LYS155O711[O], 1[S], 4[C], 1[N],
LYS155C711[O], 1[S], 1[N], 4[C],
LYS155CD111[C],
LYS155CB511[O], 1[N], 3[C],
LEU156N714[C], 1[N], 1[S], 1[O],
LEU156CA911[N], 5[C], 1[S], 2[O],
LEU156CG1217[C], 2[N], 1[S], 2[O],
LEU156O912[O], 5[C], 1[N], 1[S],
LEU156C812[O], 1[N], 4[C], 1[S],
LEU156CD21211[S], 2[N], 7[C], 2[O],
LEU156CB1112[O], 6[C], 2[N], 1[S],
LEU156CD11511[S], 9[C], 2[N], 3[O],
LYS157N511[O], 2[C], 1[N], 1[S],
THR164C513[C], 1[S], 1[O],
THR164CG2312[O], 1[C],
THR164CA311[C], 2[O],
THR164O111[O],
THR164OG1212[O],
THR164CB512[O], 3[C],
MET165CA915[C], 1[N], 1[S], 2[O],
MET165CG811[S], 5[C], 1[N], 1[O],
MET165SD611[S], 3[C], 1[N], 1[O],
MET165N912[O], 1[S], 1[N], 5[C],
MET165CB1015[C], 2[N], 1[S], 2[O],
MET165C1012[N], 5[C], 1[S], 2[O],
MET165CE611[S], 3[C], 1[N], 1[O],
MET165O811[O], 5[C], 1[N], 1[S],
PRO166CG1713[O], 1[S], 2[N], 11[C],
PRO166CD1512[O], 2[N], 10[C], 1[S],
PRO166CA1212[O], 7[C], 2[N], 1[S],
PRO166O111[O],
PRO166C312[C], 1[O],
PRO166N1111[S], 6[C], 2[N], 2[O],
PRO166CB1412[N], 10[C], 2[O],
GLN167N111[O],
THR168CG2111[S],
THR168OG1411[S], 2[C], 1[O],
THR168CB111[S],
ALA169CB111[O],
ALA187O111[N],
ALA187CB211[N], 1[C],
ALA187C111[N],
ALA187CA111[N],
LEU188CD1111[N],
LEU188N111[N],
LEU188CA111[N],
GLN191CD613[N], 3[C],
GLN191CG512[C], 3[N],
GLN191OE1513[N], 2[C],
GLN191CA111[N],
GLN191N111[N],
GLN191CB312[N], 1[C],
GLN191NE21015[N], 5[C],
HIS227O611[O], 2[N], 3[C],
HIS227CG211[O], 1[N],
HIS227ND1815[O], 1[P], 1[C], 1[N],
HIS227NE21314[N], 4[C], 1[P], 4[O],
HIS227CD2512[O], 2[N], 1[C],
HIS227CE11612[P], 7[O], 3[N], 4[C],
PRO228CA111[N],
PRO228C211[N], 1[C],
PRO228O111[N],
ARG229CZ2615[N], 10[C], 2[P], 9[O],
ARG229C512[N], 3[C],
ARG229CB1211[O], 6[C], 5[N],
ARG229NE2512[P], 8[O], 5[N], 10[C],
ARG229O512[N], 3[C],
ARG229CD2417[O], 2[P], 10[C], 5[N],
ARG229CG1711[P], 3[O], 5[N], 8[C],
ARG229CA814[C], 4[N],
ARG229N513[N], 2[C],
ALA230O111[N],
ALA230N111[N],
SER231O211[N], 1[C],
SER231C212[N],
THR232OG1814[C], 4[N],
THR232CB613[N], 3[C],
THR232CA613[C], 3[N],
THR232C412[N], 2[C],
THR232N412[C], 2[N],
THR232O212[N],
THR232CG2814[N], 4[C],
THR233CA312[N], 1[C],
THR233CB111[N],
THR233OG1211[N], 1[C],
THR233O512[C], 3[N],
THR233N412[N], 2[C],
THR233C412[N], 2[C],
LEU234O111[N],
GLU235O211[N], 1[C],
GLU235C211[N], 1[C],
GLY236C1015[N], 5[C],
GLY236O1315[N], 7[C], 1[O],
GLY236N412[C], 2[N],
GLY236CA714[C], 3[N],
LEU237CD21116[C], 5[N],
LEU237CA915[N], 4[C],
LEU237CB814[N], 4[C],
LEU237O714[C], 3[N],
LEU237C714[C], 3[N],
LEU237CD1814[C], 4[N],
LEU237CG1015[C], 5[N],
LEU237N915[N], 4[C],
SER238N211[C], 1[N],
LYS239N111[C],
LYS239C211[C], 1[N],
LYS239CD211[N], 1[C],
LYS239CG412[C], 2[N],
LEU240C311[O], 1[N], 1[C],
LEU240N613[N], 3[C],
LEU240CB1512[O], 5[N], 8[C],
LEU240CD11813[O], 10[C], 5[N],
LEU240CA1112[O], 6[C], 3[N],
LEU240CG1712[O], 5[N], 10[C],
LEU240CD22015[N], 10[C], 5[O],
LYS241N211[O], 1[C],
LYS241CD211[O], 1[C],
LYS241CE412[C], 2[O],
LYS241CG211[O], 1[C],
LYS241O211[O], 1[C],
LYS241NZ111[O],
PRO242O111[C],
PRO242C111[C],
VAL243CB1415[O], 1[P], 7[C], 1[N],
VAL243O916[C], 3[O],
VAL243CA913[O], 6[C],
VAL243N414[C],
VAL243C615[C], 1[O],
VAL243CG21917[O], 1[P], 10[C], 1[N],
VAL243CG11511[N], 8[C], 5[O], 1[P],
VAL244CB212[C],
VAL244CA212[C],
VAL244N313[C],
VAL250O111[C],
VAL250CB111[C],
VAL250C111[C],
VAL250CG1511[N], 3[C], 1[O],
THR251O1513[N], 9[C], 3[O],
THR251N111[C],
THR251CA611[N], 5[C],
THR251C18111[C], 3[N], 4[O],
THR251OG11215[N], 6[C], 1[O],
THR251CB811[O], 2[N], 5[C],
ALA252O32117[C], 6[N], 2[P], 7[O],
ALA252N2814[N], 14[C], 8[O], 2[P],
ALA252C3217[O], 2[P], 6[N], 17[C],
ALA252CB3712[P], 12[O], 6[N], 17[C],
ALA252CA35117[C], 6[N], 10[O], 2[P],
GLY253N2415[O], 1[P], 13[C], 5[N],
GLY253CA1615[N], 9[C], 2[O],
GLY253C1217[C], 5[N],
GLY253O1015[C], 5[N],
ASN254OD1111[C],
ASN254N915[C], 4[N],
ASN254C312[C], 1[N],
ASN254CA412[N], 2[C],
ALA255CA1413[O], 9[C], 2[N],
ALA255N1011[O], 2[N], 7[C],
ALA255C1513[O], 9[C], 3[N],
ALA255CB16110[C], 2[N], 4[O],
ALA255O1513[N], 10[C], 2[O],
SER256O2016[O], 1[P], 2[N], 11[C],
SER256OG1411[S], 8[C], 2[N], 3[O],
SER256N1419[C], 2[N], 3[O],
SER256CB1311[S], 2[N], 7[C], 3[O],
SER256CA1413[O], 2[N], 9[C],
SER256C1912[N], 11[C], 6[O],
GLY257O16110[C], 2[N], 4[O],
GLY257N1816[O], 10[C], 2[N],
GLY257C21111[C], 2[N], 7[O], 1[P],
GLY257CA21110[C], 2[N], 2[P], 7[O],
ILE258N21110[C], 2[N], 2[P], 7[O],
ILE258C814[C], 2[N], 2[O],
ILE258CD12119[C], 2[N], 8[O], 2[P],
ILE258CA1817[O], 1[P], 2[N], 8[C],
ILE258CG12111[P], 8[O], 2[N], 10[C],
ILE258CB1912[N], 9[C], 1[P], 7[O],
ILE258CG21112[N], 5[C], 4[O],
ILE258O915[O], 3[C], 1[N],
ASN259CG111[O],
ASN259ND2511[O], 2[N], 2[C],
ASN259N311[O], 1[C], 1[N],
MET297CG211[S], 1[C],
MET297CA111[S],
MET297SD311[S], 2[C],
MET297O111[S],
MET297C111[S],
MET297CE611[O], 1[S], 3[C], 1[N],
MET297CB111[S],
GLY298CA111[S],
GLY298N111[S],
ASN325ND2411[N], 2[C], 1[S],
ASN325CG111[C],
GLU326C211[S], 1[C],
GLU326O513[C], 1[N], 1[S],
ALA327N513[C], 1[N], 1[S],
ALA327O1012[N], 6[C], 1[S], 1[O],
ALA327CA811[S], 5[C], 1[N], 1[O],
ALA327C912[N], 5[C], 1[S], 1[O],
ALA327CB811[S], 5[C], 1[N], 1[O],
PHE328CG911[S], 5[C], 2[N], 1[O],
PHE328CD11217[C], 2[N], 1[S], 2[O],
PHE328CZ1411[S], 2[N], 8[C], 3[O],
PHE328CA611[O], 1[N], 3[C], 1[S],
PHE328CE21112[O], 6[C], 2[N], 1[S],
PHE328CE11611[S], 10[C], 2[N], 3[O],
PHE328CD2911[O], 1[S], 5[C], 2[N],
PHE328CB711[O], 1[S], 1[N], 4[C],
PHE328N811[S], 1[N], 5[C], 1[O],
GLN331CD211[C], 1[S],
GLN331NE2211[S], 1[C],
GLN331CG211[S], 1[C],
ILE355CB111[N],
ILE355CG2412[C], 2[N],
ILE355C212[N],
ILE355O512[N], 3[C],
ALA356CA111[N],
ALA356N111[N],
ALA356CB111[N],
HIS359CD2911[O], 5[C], 2[N], 1[S],
HIS359N413[C], 1[N],
HIS359CA511[N], 4[C],
HIS359NE2811[O], 1[S], 5[C], 1[N],
HIS359CG911[O], 2[N], 5[C], 1[S],
HIS359CE1714[C], 1[N], 1[S], 1[O],
HIS359CB911[O], 1[S], 5[C], 2[N],
HIS359C514[C], 1[N],
HIS359ND1611[S], 1[N], 4[C],
HIS359O911[O], 1[S], 2[N], 5[C],
PRO360N111[N],
LEU361CA411[S], 2[C], 1[N],
LEU361CB511[S], 1[N], 3[C],
LEU361N211[N], 1[C],
LEU361CG711[O], 1[S], 4[C], 1[N],
LEU361CD1711[O], 1[S], 1[N], 4[C],
LEU361CD2811[O], 1[S], 5[C], 1[N],
CYS389N111[S],
CYS389O312[C], 1[S],
CYS389CB211[S], 1[C],
CYS389SG412[C], 1[N], 1[S],
CYS389CA211[C], 1[S],
CYS389C211[S], 1[C],
ILE390O111[S],
ILE390CA211[C], 1[S],
ILE390N211[C], 1[S],
ILE390C311[S], 2[C],
ILE390CG2111[S],
ILE390CB111[S],
GLY391N312[C], 1[S],
GLY391CA312[C], 1[S],
GLY391C111[S],
GLY391O111[S],
VAL392N111[S],
Total = 290



Download csv file of statistical distribution of contacts