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: FAD_A_2(4XVG) / Model_5(4XVG/A) = [13.1] Download705.0421.26MHWSKKQMLDQNIKTQLKAYLERLESPIELVAALDESDKAAQIKELVTEIAELSDKVTARFDGNNTRRPSFGVAKAGEQPRVFFAGLPMGHEFTSLILALLQVSGYAPKVSNEVLNQIKGLNLKANFDVFVSLSCHNCPDVVQALNLIAIYNPNTTATMIDGAFFQDEVEQRKIMAVPMVFQDNEHIGQGRMTLEEIVAKLDTNSAEKDAAALNAKDAFDVLVIGGGPAGATAAIYAARKGINTGIVAERFGGQVMDTMDIENFTSVQKTQGPKFAAEMEAHVREYDVDIMNLQRVSKITGADQTANGLVEVELENGAKLESKTVILSTGARWREMNVPGEAEYRTRGVAYCPHCDGPLFKGKRVAVIGGGNSGVEAAIDLAGIVEHVTLVEFDTKLRADQVLQNKLNSLPNTTVIMNALSTEVLGDGSQVTGLKYKDRATDEEHVVELAGIFVQIGLLPNTDFLKDSEVELTNRGEIIVNDRNETNVKGVFAAGDCTTVPYKQIIIATGEGAKASLSAFDYIIRSGQ
Consensus
[pKd Mean = 13.10]		-705
(s=0)		21
(s=0)		MHWSKKQMLDQNIKTQLKAYLERLESPIELVAALDESDKAAQIKELVTEIAELSDKVTARFDGNNTRRPSFGVAKAGEQPRVFFAGLPMGHEFTSLILALLQVSGYAPKVSNEVLNQIKGLNLKANFDVFVSLSCHNCPDVVQALNLIAIYNPNTTATMIDGAFFQDEVEQRKIMAVPMVFQDNEHIGQGRMTLEEIVAKLDTNSAEKDAAALNAKDAFDVLVIGGGPAGATAAIYAARKGINTGIVAERFGGQVMDTMDIENFTSVQKTQGPKFAAEMEAHVREYDVDIMNLQRVSKITGADQTANGLVEVELENGAKLESKTVILSTGARWREMNVPGEAEYRTRGVAYCPHCDGPLFKGKRVAVIGGGNSGVEAAIDLAGIVEHVTLVEFDTKLRADQVLQNKLNSLPNTTVIMNALSTEVLGDGSQVTGLKYKDRATDEEHVVELAGIFVQIGLLPNTDFLKDSEVELTNRGEIIVNDRNETNVKGVFAAGDCTTVPYKQIIIATGEGAKASLSAFDYIIRSGQ



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]
ILE224C711[O], 4[C], 2[N],
ILE224CG2714[C], 3[N],
ILE224CB412[N], 2[C],
ILE224O512[C], 2[N], 1[O],
ILE224CA311[C], 2[N],
GLY225O412[O], 2[C],
GLY225N1016[C], 3[N], 1[O],
GLY225CA16110[C], 3[N], 3[O],
GLY225C1116[C], 2[N], 3[O],
GLY226CA713[O], 4[C],
GLY226O613[C], 3[O],
GLY226C714[O], 3[C],
GLY226N1212[N], 7[C], 3[O],
GLY227C1112[P], 2[C], 7[O],
GLY227O413[O], 1[P],
GLY227CA15110[O], 2[P], 3[C],
GLY227N1214[C], 2[P], 6[O],
PRO228O111[O],
PRO228C411[P], 3[O],
PRO228CD1519[O], 2[P], 4[C],
PRO228CB812[C], 1[P], 5[O],
PRO228CA611[C], 1[P], 4[O],
PRO228N1217[O], 3[C], 2[P],
PRO228CG1318[O], 3[C], 2[P],
ALA229N611[P], 1[C], 4[O],
ALA229O111[O],
ALA229CB614[O], 1[C], 1[P],
ALA229CA413[O], 1[P],
ALA229C312[O], 1[P],
GLY230CA111[O],
GLY230N312[O], 1[P],
VAL247C312[N], 1[C],
VAL247CG2211[C], 1[N],
VAL247CA111[C],
VAL247O511[O], 2[C], 2[N],
VAL247CB111[C],
ALA248N412[N], 2[C],
ALA248CA1015[C], 3[N], 2[O],
ALA248CB912[O], 5[C], 2[N],
ALA248C813[C], 3[N], 2[O],
ALA248O211[N], 1[C],
GLU249CG1412[O], 7[C], 5[N],
GLU249OE21317[C], 5[N], 1[O],
GLU249OE11613[O], 5[N], 8[C],
GLU249CA1113[O], 5[C], 3[N],
GLU249C412[O], 1[N], 1[C],
GLU249N1513[N], 9[C], 3[O],
GLU249CB1513[O], 8[C], 4[N],
GLU249CD1311[O], 5[N], 7[C],
ARG250CG111[O],
ARG250N913[O], 2[N], 4[C],
ARG250C412[C], 2[O],
ARG250CD111[O],
ARG250CA312[O], 1[C],
ARG250CB311[C], 2[O],
ARG250O713[O], 4[C],
ARG250NE111[O],
PHE251N111[O],
PHE251CA111[O],
PHE251C111[O],
GLY252O511[P], 4[O],
GLY252CA111[O],
GLY252C611[P], 2[C], 3[O],
GLY252N111[O],
GLY253CA1515[C], 1[P], 9[O],
GLY253C1116[O], 4[C], 1[P],
GLY253N911[P], 4[C], 4[O],
GLY253O614[O], 1[C], 1[P],
GLN254OE11711[P], 10[C], 1[N], 5[O],
GLN254C1213[O], 9[C],
GLN254CA1215[O], 1[P], 6[C],
GLN254CD1911[N], 9[C], 1[P], 8[O],
GLN254O1018[C], 2[O],
GLN254N1617[C], 1[P], 8[O],
GLN254CB2018[O], 1[P], 1[N], 10[C],
GLN254CG1617[O], 8[C], 1[P],
GLN254NE21912[P], 8[C], 9[O],
VAL255CG11312[N], 8[C], 3[O],
VAL255CA1017[C], 3[O],
VAL255CB212[O],
VAL255CG2313[O],
VAL255N1118[C], 3[O],
ASP257CG212[C],
ASP257CB414[C],
ASP257CA212[C],
ASP257OD2212[C],
ASP257O515[C],
ASP257N111[C],
ASP257C414[C],
THR258CB1011[O], 1[N], 8[C],
THR258C212[C],
THR258CA615[C], 1[N],
THR258CG21211[O], 10[C], 1[N],
THR258N515[C],
THR258OG11011[O], 8[C], 1[N],
ASP260C111[O],
ASP260O411[N], 2[C], 1[O],
ILE261CB512[C], 2[N], 1[O],
ILE261CG2912[O], 4[C], 3[N],
ILE261C311[O], 1[C], 1[N],
ILE261O111[O],
ILE261CA412[C], 1[N], 1[O],
ILE261CG1811[O], 2[N], 5[C],
ILE261N211[O], 1[C],
ILE261CD1511[O], 2[N], 2[C],
GLU262N311[O], 1[N], 1[C],
GLU262CA111[O],
ASN263C311[N], 1[C], 1[O],
ASN263N311[O], 1[C], 1[N],
ASN263ND2812[O], 2[N], 4[C],
ASN263CA211[N], 1[O],
ASN263CG712[O], 2[N], 3[C],
ASN263CB412[O], 1[C], 1[N],
ASN263O311[O], 1[C], 1[N],
ASN263OD1812[N], 4[C], 2[O],
PHE264N211[O], 1[N],
GLN294O713[N], 4[C],
GLN294CA111[C],
GLN294C412[C], 2[N],
ARG295NE211[N], 1[C],
ARG295C613[C], 3[N],
ARG295N513[N], 2[C],
ARG295CG914[N], 5[C],
ARG295CA714[C], 3[N],
ARG295CD613[C], 3[N],
ARG295CB814[N], 4[C],
ARG295O412[N], 2[C],
VAL296CA512[N], 3[C],
VAL296N714[C], 3[N],
VAL296CG1312[N], 1[C],
VAL296C412[C], 2[N],
VAL296CB613[N], 3[C],
VAL296O613[N], 3[C],
VAL296CG2513[N], 2[C],
SER297N311[C], 2[N],
SER297CA111[N],
SER328CA311[C], 2[O],
SER328C1011[N], 3[C], 1[P], 5[O],
SER328OG111[O],
SER328CB311[P], 2[O],
SER328O1516[O], 6[C], 1[N], 2[P],
THR329CG21411[O], 5[N], 8[C],
THR329OG1813[N], 4[C], 1[O],
THR329C1917[O], 2[P], 8[C], 2[N],
THR329N1315[O], 2[N], 6[C],
THR329O1818[C], 3[N], 1[P], 6[O],
THR329CB1511[O], 9[C], 5[N],
THR329CA1814[O], 1[P], 10[C], 3[N],
GLY330N1516[O], 2[P], 6[C], 1[N],
GLY330CA1618[O], 2[P], 6[C],
GLY330O312[O], 1[C],
GLY330C814[O], 2[P], 2[C],
ALA331CB111[O],
ALA331C111[O],
ALA331CA312[O], 1[P],
ALA331O411[P], 3[O],
ALA331N912[C], 2[P], 5[O],
ARG332N111[O],
TRP333NE1414[C],
TRP333CB111[C],
TRP333CD1313[C],
TRP333CG111[C],
TRP333N111[C],
THR346CG2111[C],
TYR351CB515[C],
TYR351CD1414[C],
TYR351N212[C],
TYR351C111[C],
TYR351CE1212[C],
TYR351CG414[C],
TYR351CA414[C],
CYS352CB1313[N], 10[C],
CYS352SG1411[O], 9[C], 4[N],
CYS355CB1211[O], 7[C], 4[N],
CYS355C211[O], 1[C],
CYS355O111[O],
CYS355SG1512[O], 9[C], 4[N],
CYS355CA714[C], 2[N], 1[O],
CYS355N411[O], 1[N], 2[C],
ASP356OD2211[N], 1[O],
ASP356OD1111[C],
ASN461CA211[C], 1[N],
ASN461C211[N], 1[C],
ASN461CG811[O], 5[C], 2[N],
ASN461CB916[C], 3[N],
ASN461OD1312[N], 1[C],
ASN461ND21318[C], 2[N], 3[O],
ASN461O513[C], 2[N],
PHE464CG211[N], 1[C],
PHE464CD1412[N], 2[C],
PHE464CE1412[N], 2[C],
PHE464CE2111[N],
PHE464CB111[N],
PHE464CZ211[N], 1[C],
PHE464CD2111[N],
ALA494O311[P], 2[O],
ALA494C111[O],
GLY495CA611[C], 1[P], 4[O],
GLY495O111[O],
GLY495C614[O], 1[C], 1[P],
GLY495N211[O], 1[P],
ASP496C212[O],
ASP496CA611[C], 1[P], 4[O],
ASP496OD21115[O], 1[P], 5[C],
ASP496CB1015[O], 2[P], 3[C],
ASP496N812[C], 1[P], 5[O],
ASP496CG1417[O], 2[P], 5[C],
ASP496OD11515[C], 2[P], 8[O],
CYS497N311[P], 2[O],
LYS503O1112[N], 6[C], 3[O],
LYS503N111[O],
LYS503CA311[O], 2[C],
LYS503CG111[O],
LYS503C1117[C], 2[N], 2[O],
LYS503CB413[C], 1[O],
LYS503CD111[O],
GLN504C1513[N], 7[C], 5[O],
GLN504CG712[O], 3[C], 2[N],
GLN504N1112[O], 2[N], 7[C],
GLN504O1216[C], 1[N], 5[O],
GLN504CD911[O], 5[C], 3[N],
GLN504CB712[O], 3[C], 2[N],
GLN504NE21314[N], 7[C], 2[O],
GLN504CA1313[O], 7[C], 3[N],
GLN504OE1714[C], 2[N], 1[O],
ILE505CB1514[O], 8[C], 3[N],
ILE505CG2612[C], 1[N], 3[O],
ILE505CD11814[N], 10[C], 4[O],
ILE505N1613[N], 9[C], 4[O],
ILE505O312[O], 1[C],
ILE505CA1415[O], 2[N], 7[C],
ILE505C512[O], 1[N], 2[C],
ILE505CG11915[O], 10[C], 4[N],
ILE506CG2111[O],
ILE506N211[C], 1[O],
ILE506CB111[O],
ILE506CA111[O],
ILE507N111[O],
ALA508O111[O],
ALA508CA714[O], 1[P], 2[C],
ALA508C212[O],
ALA508CB1013[C], 1[P], 6[O],
ALA508N413[O], 1[C],
Total = 243



Download csv file of statistical distribution of contacts