Binding Site Information :
Doc...
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: 046_A_2(4O2Z) / Model_1(4O2Z/A) = [11.4] Download1441.7836.39MHKSNQELSVPKIVGDFKVYNVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRSVDVPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVEHREALEKLNELPDGSLNIPKLVPGLAGNTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDEPTCPCPFLWAHESTPMGVSELRRAFWADIVDYNPSLEQATPPVTTAGGSSSKNGSGHHH
Consensus
[pKd Mean = 11.40]		-1441
(s=0)		36
(s=0)		MHKSNQELSVPKIVGDFKVYNVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRSVDVPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVEHREALEKLNELPDGSLNIPKLVPGLAGNTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDEPTCPCPFLWAHESTPMGVSELRRAFWADIVDYNPSLEQATPPVTTAGGSSSKNGSGHHH



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]
ILE38O311[O], 2[C],
ILE38C211[O], 1[C],
LEU39CD11412[O], 3[N], 9[C],
LEU39CB1412[O], 3[N], 9[C],
LEU39O812[O], 1[N], 5[C],
LEU39C812[O], 1[N], 5[C],
LEU39CA812[O], 1[N], 5[C],
LEU39N712[O], 1[N], 4[C],
LEU39CD21212[O], 3[N], 7[C],
LEU39CG1412[O], 3[N], 9[C],
GLY40CA412[O], 2[C],
GLY40N912[O], 1[N], 6[C],
ILE46O111[C],
ALA47O512[O], 3[C],
ALA47CA1012[O], 1[N], 7[C],
ALA47N311[O], 2[C],
ALA47C712[O], 1[N], 4[C],
ALA47CB1712[O], 3[N], 12[C],
CYS48O911[O], 2[N], 6[C],
CYS48CA311[O], 2[C],
CYS48N611[O], 1[N], 4[C],
CYS48C511[O], 1[N], 3[C],
SER49CB911[O], 2[N], 6[C],
SER49CA911[O], 3[N], 5[C],
SER49N912[O], 3[N], 4[C],
LYS58O211[N], 1[C],
VAL59CB211[C], 1[N],
VAL59O711[O], 2[N], 4[C],
VAL59N111[C],
VAL59CA311[C], 2[N],
VAL59C711[O], 2[N], 4[C],
SER60O1311[O], 2[N], 10[C],
SER60CB1812[O], 3[N], 13[C],
SER60C1211[O], 2[N], 9[C],
SER60N1011[O], 3[N], 6[C],
SER60OG1912[O], 13[C], 4[N],
SER60CA1412[O], 3[N], 9[C],
ILE61CA711[O], 1[N], 5[C],
ILE61C711[O], 1[N], 5[C],
ILE61N1111[O], 2[N], 8[C],
ILE61O711[O], 1[N], 5[C],
LYS62CE1211[O], 9[C], 2[N],
LYS62CB1311[O], 10[C], 2[N],
LYS62NZ1411[O], 2[N], 11[C],
LYS62C611[O], 5[C],
LYS62CD1412[O], 10[C], 2[N],
LYS62CG1311[O], 2[N], 10[C],
LYS62N1011[O], 1[N], 8[C],
LYS62O414[C],
LYS62CA1011[O], 1[N], 8[C],
LYS63N212[C],
CYS64SG313[C],
ARG76O212[C],
VAL77O212[C],
VAL77CG1111[C],
ARG79CD712[N], 5[C],
ARG79CG411[N], 3[C],
ARG79CZ212[C],
ARG79C414[C],
ARG79O414[C],
ARG79NE212[C],
GLU80OE11711[O], 2[N], 14[C],
GLU80O1812[F], 1[O], 3[N], 12[C],
GLU80CA1711[F], 1[O], 3[N], 12[C],
GLU80C1511[F], 1[O], 3[N], 10[C],
GLU80CD2011[O], 3[N], 16[C],
GLU80CG2212[F], 1[O], 3[N], 16[C],
GLU80CB1611[O], 3[N], 12[C],
GLU80OE22411[F], 1[O], 3[N], 19[C],
GLU80N812[N], 6[C],
ILE81N912[N], 7[C],
ILE81CG1212[C],
ILE81CA612[N], 4[C],
ILE81CB111[C],
ILE81CD1212[C],
MET83SD1813[F], 2[N], 13[C],
MET83CE2013[F], 3[N], 14[C],
MET83C1012[F], 8[C],
MET83N111[C],
MET83O812[F], 6[C],
MET83CB1512[F], 2[N], 11[C],
MET83CG1713[F], 2[N], 12[C],
MET83CA1111[F], 1[N], 9[C],
MET84CE2413[F], 2[O], 3[N], 16[C],
MET84CB1913[F], 1[O], 2[N], 13[C],
MET84CA1613[F], 1[O], 2[N], 10[C],
MET84O312[F], 1[C],
MET84N1312[F], 1[O], 1[N], 9[C],
MET84CG2113[F], 1[O], 3[N], 14[C],
MET84C512[F], 3[C],
MET84SD2313[F], 1[O], 2[N], 17[C],
PHE87CD1312[F], 1[C],
PHE87CZ1113[F], 1[N], 7[C],
PHE87CA111[F],
PHE87CG713[F], 4[C],
PHE87CE21513[F], 1[N], 11[C],
PHE87CE1411[F], 3[C],
PHE87N111[F],
PHE87CB413[F], 1[C],
PHE87CD21313[F], 1[N], 9[C],
ASN91C413[F], 1[C],
ASN91O413[F], 1[C],
LEU92C713[F], 1[O], 3[C],
LEU92CG813[F], 5[C],
LEU92CD21313[F], 1[O], 1[N], 8[C],
LEU92CB713[F], 1[O], 3[C],
LEU92N413[F], 1[C],
LEU92CA713[F], 1[O], 3[C],
LEU92CD1613[F], 3[C],
LEU92O513[F], 1[O], 1[C],
LEU93CD12011[F], 2[O], 4[N], 13[C],
LEU93N1413[F], 1[O], 2[N], 8[C],
LEU93O1713[F], 1[O], 2[N], 11[C],
LEU93CA1713[F], 1[O], 3[N], 10[C],
LEU93CD22511[F], 2[O], 5[N], 17[C],
LEU93CB2413[F], 2[O], 4[N], 15[C],
LEU93CG2411[F], 2[O], 4[N], 17[C],
LEU93C1513[F], 1[O], 2[N], 9[C],
ASN94CA311[F], 1[O], 1[C],
ASN94C511[O], 1[N], 3[C],
ASN94O1111[O], 2[N], 8[C],
ASN94N912[F], 1[O], 1[N], 5[C],
VAL95N111[O],
VAL95CG2811[O], 5[C], 2[N],
VAL95CB212[C],
VAL95CA212[C],
VAL114O1011[O], 7[C], 2[N],
VAL114CG11111[O], 8[C], 2[N],
VAL114N414[C],
VAL114C711[O], 6[C],
VAL114CA414[C],
VAL114CB716[C], 1[N],
VAL114CG2615[C], 1[N],
VAL115CA411[N], 3[C],
VAL115C811[O], 1[N], 6[C],
VAL115O411[N], 3[C],
VAL115N414[C],
THR116CA1611[O], 12[C], 3[N],
THR116CG21912[O], 13[C], 4[N],
THR116OG11912[O], 4[N], 13[C],
THR116C1311[O], 2[N], 10[C],
THR116N1311[O], 2[N], 10[C],
THR116O1111[O], 2[N], 8[C],
THR116CB1812[O], 3[N], 13[C],
PRO117CA612[N], 4[C],
PRO117CG311[C], 2[N],
PRO117CB311[C], 2[N],
PRO117N911[O], 2[N], 6[C],
PRO117C1011[O], 3[N], 6[C],
PRO117O1311[O], 3[N], 9[C],
PRO117CD412[N], 2[C],
LEU118O913[N], 6[C],
LEU118CB1112[O], 3[N], 6[C],
LEU118CA1212[O], 3[N], 7[C],
LEU118C1112[O], 3[N], 6[C],
LEU118CD21011[O], 3[N], 6[C],
LEU118N811[O], 3[N], 4[C],
LEU118CD11212[O], 3[N], 7[C],
LEU118CG1112[O], 3[N], 6[C],
MET119CB1212[O], 3[N], 7[C],
MET119N1312[O], 3[N], 8[C],
MET119CE311[C], 2[N],
MET119CG913[N], 6[C],
MET119O1112[O], 3[N], 6[C],
MET119C1011[O], 3[N], 6[C],
MET119CA1112[O], 3[N], 6[C],
MET119SD512[C], 3[N],
ASP120N1011[O], 3[N], 6[C],
ASP120C811[O], 2[N], 5[C],
ASP120OD1311[C], 2[N],
ASP120CB513[C], 2[N],
ASP120O811[O], 2[N], 5[C],
ASP120CA811[O], 2[N], 5[C],
ASP120CG211[C], 1[N],
VAL121CG1212[C],
VAL121CB411[O], 2[C], 1[N],
VAL121CG2312[C], 1[N],
VAL121N811[O], 2[N], 5[C],
VAL121CA611[O], 3[C], 2[N],
VAL121O811[O], 2[N], 5[C],
VAL121C711[O], 4[C], 2[N],
ASP122CG511[O], 1[N], 3[C],
ASP122OD1611[O], 1[N], 4[C],
ASP122CB611[O], 1[N], 4[C],
ASP122N611[O], 3[C], 2[N],
ASP122CA511[O], 1[N], 3[C],
ASP122O212[C],
ASP122C411[O], 2[C], 1[N],
ASP122OD2311[O], 2[C],
MET123N111[C],
VAL125CG2111[C],
VAL125CB111[C],
GLY148O212[F],
LEU149CD2111[F],
LEU152CD11513[F], 2[N], 10[C],
LEU152CG1313[F], 2[N], 8[C],
LEU152CB713[F], 1[N], 3[C],
LEU152CA212[F],
LEU152CD21513[F], 2[N], 10[C],
LEU152N111[F],
VAL157O612[N], 4[C],
VAL157CG2611[F], 2[N], 3[C],
VAL157N212[C],
VAL157C812[N], 6[C],
VAL157CG11412[F], 2[N], 10[C],
VAL157CA612[N], 4[C],
VAL157CB1011[F], 2[N], 7[C],
ALA158N812[N], 6[C],
ALA158CA812[N], 6[C],
ALA158O1212[F], 2[N], 8[C],
ALA158CB715[C], 2[N],
ALA158C1112[F], 2[N], 7[C],
HIS159CG1813[F], 2[N], 13[C],
HIS159ND11813[F], 2[N], 13[C],
HIS159O1512[F], 2[N], 11[C],
HIS159CB1513[F], 2[N], 10[C],
HIS159NE22113[F], 1[O], 3[N], 14[C],
HIS159N1212[F], 2[N], 8[C],
HIS159CA1412[F], 2[N], 10[C],
HIS159CD22013[F], 1[O], 3[N], 13[C],
HIS159C1311[F], 2[N], 10[C],
HIS159CE11913[F], 3[N], 13[C],
ARG160CZ511[N], 4[C],
ARG160O411[N], 3[C],
ARG160CG511[N], 4[C],
ARG160NE611[N], 5[C],
ARG160C715[C], 2[N],
ARG160CD511[N], 4[C],
ARG160CA715[C], 2[N],
ARG160CB715[C], 2[N],
ARG160N812[N], 6[C],
ASP161CB1012[N], 8[C],
ASP161OD1715[C], 2[N],
ASP161C411[N], 3[C],
ASP161OD21112[N], 9[C],
ASP161CA715[C], 2[N],
ASP161CG1012[N], 8[C],
ASP161N812[N], 6[C],
ASP161O212[C],
LEU162CD2111[F],
LEU162N311[N], 2[C],
LEU162CG211[F], 1[C],
ALA165O611[O], 1[N], 4[C],
ASN166ND2311[F], 2[C],
ASN166C111[F],
ASN166CB111[F],
ASN166CA211[F], 1[C],
ASN166CG511[F], 4[C],
ASN166O712[F], 1[O], 4[C],
ASN166OD1911[O], 1[N], 7[C],
LEU167O411[O], 2[C], 1[N],
LEU167C312[C], 1[N],
VAL168CA811[O], 2[N], 5[C],
VAL168N611[O], 3[C], 2[N],
VAL168CG11513[O], 3[N], 9[C],
VAL168CB1412[O], 3[N], 9[C],
VAL168O212[N],
VAL168C612[N], 4[C],
VAL168CG21412[O], 3[N], 9[C],
THR169N513[C], 2[N],
THR169C311[C], 2[N],
THR169CA211[C], 1[N],
THR169O612[N], 4[C],
LYS176CB311[F], 1[N], 1[C],
LYS176CD211[N], 1[C],
LYS176C412[F], 1[O], 1[C],
LYS176O312[F], 1[O],
LYS176CA111[F],
ILE177N713[F], 1[O], 3[C],
ILE177CG21213[F], 1[O], 1[N], 7[C],
ILE177CG1413[F], 1[C],
ILE177C1813[F], 1[O], 2[N], 12[C],
ILE177CD1413[F], 1[C],
ILE177CB913[F], 1[O], 5[C],
ILE177O1813[F], 1[O], 2[N], 12[C],
ILE177CA813[F], 1[O], 4[C],
ILE178CG12812[F], 3[O], 5[N], 18[C],
ILE178CB3213[F], 3[O], 5[N], 21[C],
ILE178N1813[F], 1[O], 2[N], 12[C],
ILE178CA2413[F], 1[O], 3[N], 17[C],
ILE178O2213[F], 1[O], 3[N], 15[C],
ILE178CG23113[F], 3[O], 5[N], 20[C],
ILE178C2413[F], 1[O], 3[N], 17[C],
ILE178CD12812[F], 3[O], 5[N], 18[C],
ASP179C2612[F], 2[O], 3[N], 19[C],
ASP179CB2713[F], 1[O], 4[N], 19[C],
ASP179CA2713[F], 1[O], 3[N], 20[C],
ASP179CG2413[F], 1[O], 4[N], 16[C],
ASP179O2713[F], 2[O], 3[N], 19[C],
ASP179OD12111[F], 1[O], 4[N], 15[C],
ASP179OD22213[F], 1[O], 4[N], 14[C],
ASP179N2613[F], 1[O], 3[N], 19[C],
PHE180CA2113[O], 3[N], 15[C],
PHE180CE12213[O], 4[N], 15[C],
PHE180CD21512[O], 2[N], 11[C],
PHE180CB2113[O], 4[N], 14[C],
PHE180C1612[O], 2[N], 12[C],
PHE180CG2313[O], 15[C], 5[N],
PHE180CD12313[O], 15[C], 5[N],
PHE180CE21512[O], 2[N], 11[C],
PHE180N2412[F], 2[O], 2[N], 18[C],
PHE180CZ1812[O], 3[N], 13[C],
PHE180O1512[O], 2[N], 11[C],
GLY181CA111[N],
GLY181N1311[O], 2[N], 10[C],
LEU182CD11211[O], 10[C], 1[N],
LEU182CG611[O], 5[C],
LEU182CB111[C],
ARG184CD611[O], 1[N], 4[C],
ARG184CZ611[O], 1[N], 4[C],
ARG184NE611[O], 1[N], 4[C],
ARG184CB211[O], 1[C],
ARG184CG311[O], 2[C],
TYR214CZ312[C], 1[N],
TYR214CD2111[C],
TYR214CE1211[C], 1[N],
TYR214CE2312[C], 1[N],
ASP219CG111[N],
ASP219OD1511[N], 4[C],
ASP219OD2311[N], 2[C],
PHE336CE2212[C],
PHE336CD2212[C],
Total = 322



Download csv file of statistical distribution of contacts