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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: D15_A_4(2WO6) / Model_16(2WO6/A) = [4.6] Download1570.386.52MLEATNAARRRTSSIEQRNSYEALMHAIENRVNGDTVNITSIESKDAAASTGGYAAAPATATAAPKHVDPMATNGISQSEMLSAHLTEQLTDIPAALSPGSCVRQQSQQLPPAQRKKYGKEEVPTVAAAETDAAVRNTQQPAVPSQQQQQQCQRADMKHHADVADVGSEDDDDDGGAAQGDNEQALSLAALHSQPPITRRHAPTAMLEADEDEDDDDGTAYDGVKTQVLFKPVNRAAYREVVASTWKPEGLTRRTNTAGSGSQQNRNSNSSSSASEYKDSPHHPNSSDDDEEAIATMATRNKTGRAAARTAPSMKVFRVPSFPYGGGVTEQQARILQRQFDECIHNGEHLSSNAAGPALITKRDFDSGNYTEVSAATAQMDTTSFQPTSPYEFVVEVERDVRFDAVKAREERRHRFRQLVREKRAPATMGTFNLRVIMDPFKTGFEEEKNFPIVPGTVIAGRYEIIQMLGKATFSRAVRCYDLQDPIYNEDEESDEGEYEDDVDDDDANSATASPADGTENVACIGKGGVTTASCRGSDTATTASASKQQVKSVNTATKSRLKPKRRILGYGQVCLKIINNTKDFFDQSLDEIRLLTLLNRQKDPDDAHIVRLIDAFYYKEHVMLVTELLRDTLYDYGKYNREEEKEFYFTLPRLRRLTRQIVEALTYVHSLNLIHTDLKPENIMFVSYSRCIVKVIDFGSSCFLSDHLSSYIQSRSYRAPEVVLGCDYDGRIDVWSLGAILVEMVTGDVLFTSDTVPEMLARIVYVCGTPFPRRMLWEGRHTSDYINKFGCIYEYGGGADGQHDRPEKGDTDDGEEPYCLYTPVPTMAPHTCASSRKSRAAAAVPPPPRTTTAPYSVLREKLAAANMVDEEFIAFVEACLMLDHKKRPTSAELLEHPFIRDVVL
Complex: 6FB_A_9(5J1W) / Model_39(5J1W/A) = [3.8] Download846.6122.06MLEATNAARRRTSSIEQRNSYEALMHAIENRVNGDTVNITSIESKDAAASTGGYAAAPATATAAPKHVDPMATNGISQSEMLSAHLTEQLTDIPAALSPGSCVRQQSQQLPPAQRKKYGKEEVPTVAAAETDAAVRNTQQPAVPSQQQQQQCQRADMKHHADVADVGSEDDDDDGGAAQGDNEQALSLAALHSQPPITRRHAPTAMLEADEDEDDDDGTAYDGVKTQVLFKPVNRAAYREVVASTWKPEGLTRRTNTAGSGSQQNRNSNSSSSASEYKDSPHHPNSSDDDEEAIATMATRNKTGRAAARTAPSMKVFRVPSFPYGGGVTEQQARILQRQFDECIHNGEHLSSNAAGPALITKRDFDSGNYTEVSAATAQMDTTSFQPTSPYEFVVEVERDVRFDAVKAREERRHRFRQLVREKRAPATMGTFNLRVIMDPFKTGFEEEKNFPIVPGTVIAGRYEIIQMLGKATFSRAVRCYDLQDPIYNEDEESDEGEYEDDVDDDDANSATASPADGTENVACIGKGGVTTASCRGSDTATTASASKQQVKSVNTATKSRLKPKRRILGYGQVCLKIINNTKDFFDQSLDEIRLLTLLNRQKDPDDAHIVRLIDAFYYKEHVMLVTELLRDTLYDYGKYNREEEKEFYFTLPRLRRLTRQIVEALTYVHSLNLIHTDLKPENIMFVSYSRCIVKVIDFGSSCFLSDHLSSYIQSRSYRAPEVVLGCDYDGRIDVWSLGAILVEMVTGDVLFTSDTVPEMLARIVYVCGTPFPRRMLWEGRHTSDYINKFGCIYEYGGGADGQHDRPEKGDTDDGEEPYCLYTPVPTMAPHTCASSRKSRAAAAVPPPPRTTTAPYSVLREKLAAANMVDEEFIAFVEACLMLDHKKRPTSAELLEHPFIRDVVL
Consensus
[pKd Mean = 4.20]		-1208
(s=361)		14
(s=7)		MLEATNAARRRTSSIEQRNSYEALMHAIENRVNGDTVNITSIESKDAAASTGGYAAAPATATAAPKHVDPMATNGISQSEMLSAHLTEQLTDIPAALSPGSCVRQQSQQLPPAQRKKYGKEEVPTVAAAETDAAVRNTQQPAVPSQQQQQQCQRADMKHHADVADVGSEDDDDDGGAAQGDNEQALSLAALHSQPPITRRHAPTAMLEADEDEDDDDGTAYDGVKTQVLFKPVNRAAYREVVASTWKPEGLTRRTNTAGSGSQQNRNSNSSSSASEYKDSPHHPNSSDDDEEAIATMATRNKTGRAAARTAPSMKVFRVPSFPYGGGVTEQQARILQRQFDECIHNGEHLSSNAAGPALITKRDFDSGNYTEVSAATAQMDTTSFQPTSPYEFVVEVERDVRFDAVKAREERRHRFRQLVREKRAPATMGTFNLRVIMDPFKTGFEEEKNFPIVPGTVIAGRYEIIQMLGKATFSRAVRCYDLQDPIYNEDEESDEGEYEDDVDDDDANSATASPADGTENVACIGKGGVTTASCRGSDTATTASASKQQVKSVNTATKSRLKPKRRILGYGQVCLKIINNTKDFFDQSLDEIRLLTLLNRQKDPDDAHIVRLIDAFYYKEHVMLVTELLRDTLYDYGKYNREEEKEFYFTLPRLRRLTRQIVEALTYVHSLNLIHTDLKPENIMFVSYSRCIVKVIDFGSSCFLSDHLSSYIQSRSYRAPEVVLGCDYDGRIDVWSLGAILVEMVTGDVLFTSDTVPEMLARIVYVCGTPFPRRMLWEGRHTSDYINKFGCIYEYGGGADGQHDRPEKGDTDDGEEPYCLYTPVPTMAPHTCASSRKSRAAAAVPPPPRTTTAPYSVLREKLAAANMVDEEFIAFVEACLMLDHKKRPTSAELLEHPFIRDVVL



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]
VAL574CA723[N], 4[C],
VAL574N222[N],
VAL574C1526[N], 9[C],
VAL574CB222[N],
VAL574O1126[N], 5[C],
CYS575N2221[O], 6[N], 15[C],
CYS575O2321[O], 6[N], 16[C],
CYS575CB3221[O], 8[N], 23[C],
CYS575C2421[O], 6[N], 17[C],
CYS575CA2521[O], 6[N], 18[C],
CYS575SG4122[O], 8[N], 31[C],
LEU576O1921[O], 1[N], 16[C],
LEU576CA1321[N], 12[C],
LEU576N2321[O], 6[N], 16[C],
LEU576C2123[N], 17[C],
LYS577C721[N], 5[C],
LYS577N2521[O], 3[N], 20[C],
LYS577NZ2821[O], 3[N], 23[C],
LYS577O221[C],
LYS577CE2921[O], 3[N], 24[C],
LYS577CB2721[O], 2[N], 23[C],
LYS577CA2621[O], 2[N], 22[C],
LYS577CD2621[O], 2[N], 22[C],
LYS577CG2821[O], 2[N], 24[C],
ILE578N423[C],
ILE578O423[C],
ILE578C423[C],
ILE578CB121[C],
ILE578CA322[C],
ILE579CD1621[N], 4[C],
ILE579CG1221[C],
ILE579C121[C],
ILE579CA221[C],
ILE579CG2121[C],
ILE579N221[C],
ILE579O121[C],
ILE579CB121[C],
ASN580ND2121[C],
ASN580CG121[C],
ASN580OD1121[C],
ASN580CB121[C],
ASN580N121[C],
ASN580CA121[C],
GLU592CD1221[O], 1[N], 10[C],
GLU592OE21621[O], 2[N], 13[C],
GLU592CG421[O], 1[N], 2[C],
GLU592CB121[N],
GLU592OE11821[O], 2[N], 14[C],
LEU596CD1321[N], 2[C],
LEU596CG221[N], 1[C],
LEU596CD2221[N], 1[C],
VAL611O323[C],
VAL611CB2621[O], 6[N], 19[C],
VAL611C921[N], 8[C],
VAL611CG12221[O], 4[N], 17[C],
VAL611CA1022[N], 8[C],
VAL611N424[C],
VAL611CG22721[O], 7[N], 19[C],
ARG612O921[N], 8[C],
ARG612C222[C],
ARG612N521[N], 4[C],
LEU613CD1121[C],
LEU625C323[C],
LEU625CD2221[N], 1[C],
LEU625CG121[N],
LEU625O921[N], 8[C],
LEU625CB321[N], 2[C],
VAL626O323[C],
VAL626CA121[C],
VAL626C821[N], 7[C],
THR627CA2125[N], 16[C],
THR627CB2821[O], 8[N], 19[C],
THR627CG22621[O], 6[N], 19[C],
THR627N1624[N], 12[C],
THR627C1624[N], 12[C],
THR627OG13022[O], 8[N], 20[C],
THR627O1725[N], 12[C],
GLU628CA1223[N], 9[C],
GLU628N1523[N], 12[C],
GLU628C2026[N], 14[C],
GLU628O2421[O], 6[N], 17[C],
GLU628CB923[N], 6[C],
GLU628OE2722[N], 5[C],
GLU628CD823[N], 5[C],
GLU628OE1221[C], 1[N],
GLU628CG1323[N], 10[C],
LEU629N1826[N], 12[C],
LEU629CG1921[O], 6[N], 12[C],
LEU629CD21327[C], 6[N],
LEU629CD12521[O], 6[N], 18[C],
LEU629O1726[N], 11[C],
LEU629CA2321[O], 6[N], 16[C],
LEU629CB1826[N], 12[C],
LEU629C2321[O], 6[N], 16[C],
LEU630O2721[O], 6[N], 20[C],
LEU630N2721[O], 6[N], 20[C],
LEU630CD12721[O], 18[C], 8[N],
LEU630CD21726[N], 11[C],
LEU630CG2621[O], 6[N], 19[C],
LEU630CB2821[O], 20[C], 7[N],
LEU630CA2621[O], 6[N], 19[C],
LEU630C2721[O], 6[N], 20[C],
ARG631NE222[C],
ARG631O2921[O], 21[C], 7[N],
ARG631CB1329[C], 4[N],
ARG631CD624[C], 2[N],
ARG631CA2121[O], 6[N], 14[C],
ARG631C2321[O], 6[N], 16[C],
ARG631N2321[O], 6[N], 16[C],
ARG631CZ222[C],
ARG631CG724[C], 3[N],
ASP632O1223[N], 9[C],
ASP632CA1721[O], 5[N], 11[C],
ASP632OD2424[C],
ASP632CB1021[O], 7[C], 2[N],
ASP632C1721[O], 4[N], 12[C],
ASP632N1821[O], 5[N], 12[C],
ASP632OD1721[N], 6[C],
ASP632CG721[N], 6[C],
THR633CB1521[O], 3[N], 11[C],
THR633CG23622[O], 6[N], 28[C],
THR633N1721[O], 4[N], 12[C],
THR633CA1128[C], 3[N],
THR633OG1621[N], 5[C],
ASP636OD2921[O], 1[N], 7[C],
ASP636OD1222[C],
ASP636CB323[C],
ASP636CG626[C],
TYR640CZ121[C],
HIS676CE1221[N], 1[C],
HIS676NE2221[N], 1[C],
ASP678CA121[N],
ASP678CG221[N], 1[C],
ASP678CB121[N],
ASP678OD1121[N],
ASP678O221[N], 1[C],
ASP678OD2321[N], 2[C],
ASP678C121[N],
LYS680NZ321[N], 2[C],
LYS680CG221[N], 1[C],
LYS680CE321[N], 2[C],
LYS680CD221[N], 1[C],
GLU682CD221[N], 1[C],
GLU682C1321[O], 2[N], 10[C],
GLU682CB621[N], 5[C],
GLU682CG221[N], 1[C],
GLU682CA421[N], 3[C],
GLU682N221[N], 1[C],
GLU682O2121[O], 4[N], 16[C],
ASN683N921[O], 2[N], 6[C],
ASN683ND21021[O], 2[N], 7[C],
ASN683CB1121[O], 3[N], 7[C],
ASN683OD12021[O], 3[N], 16[C],
ASN683CA1521[O], 3[N], 11[C],
ASN683CG1521[O], 3[N], 11[C],
ASN683O1521[O], 3[N], 11[C],
ASN683C1221[O], 2[N], 9[C],
ILE684N321[N], 2[C],
MET685SD4122[O], 8[N], 31[C],
MET685C421[C], 3[N],
MET685CG3622[O], 8[N], 26[C],
MET685CA1726[N], 11[C],
MET685CE3522[O], 8[N], 25[C],
MET685CB2921[O], 7[N], 21[C],
MET685N521[N], 4[C],
PHE686O1526[N], 9[C],
PHE686C321[C], 2[N],
PHE686N221[N], 1[C],
VAL687O421[C], 3[N],
TYR689CD1321[C], 2[N],
TYR689CZ421[C], 3[N],
TYR689CG121[N],
TYR689CE1421[C], 3[N],
VAL696C1221[O], 1[N], 10[C],
VAL696O1021[O], 1[N], 8[C],
ILE697CB3321[O], 7[N], 25[C],
ILE697N2021[O], 2[N], 17[C],
ILE697CG13221[O], 6[N], 25[C],
ILE697CD13922[O], 9[N], 28[C],
ILE697CA2621[O], 4[N], 21[C],
ILE697CG23422[O], 8[N], 24[C],
ILE697C2321[O], 3[N], 19[C],
ILE697O1821[O], 3[N], 14[C],
ASP698OD21921[O], 3[N], 14[C],
ASP698N2421[O], 3[N], 20[C],
ASP698CB2421[O], 3[N], 19[C],
ASP698C1621[O], 3[N], 12[C],
ASP698CG2121[O], 3[N], 16[C],
ASP698OD12021[O], 3[N], 15[C],
ASP698O1021[O], 2[N], 7[C],
ASP698CA2221[O], 3[N], 18[C],
PHE699CD2121[O],
PHE699CB121[N],
PHE699CD1321[N], 2[C],
PHE699CE1321[N], 2[C],
PHE699C121[N],
PHE699N1121[O], 2[N], 8[C],
PHE699CA421[O], 1[N], 2[C],
PHE699CG121[N],
GLY700CA121[N],
GLY700N521[O], 2[N], 2[C],
SER701OG121[N],
SER715OG121[N],
Total = 203



Download csv file of statistical distribution of contacts