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 :C8_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 C8_S1
Complex: NDP_F_(5GUD) / Model_30(5GUD/F) = [12.4] Download1740.204.07MKYNNLNEFLNYVQARDPHQPEFLQAVEEVMTSLWPFIEKNPEYAEQGLLERLVEPERVIQFRVSWMDDQGQTQVNRAFRVQYNSAIGPFKGGMRFHPSVNLSILKFLGFEQTFKNSLTTLPMGGGKGGSDFNPKGKSDAEIMRFCQALMIELYRHLGPNTDIPAGDIGVGAREVGYMAGMMKKLSNDTACVFTGKGISFGGSLMRPEATGYGTVYFAEEMLKTRGQSFAGKTVSISGSGNVAQYAAEKAMFLGAKVVTLSDSNGTVYLKNGFTDELLAEVMELKNIQRGRISEFASKHGFEYFEGKTPWHIPVDIALPCATQNELTGEDAKMLIANGVICVAEGANMPSTLEAVEHFIEAKILYAPGKASNAGGVATSGLEMSQNSIRLGWTHAEVDERLHAIMKDIHANCVRYGTKEDGTVNYVDGANIAGFVKVADAMLAQGIY
Consensus
[pKd Mean = 12.40]		-1740
(s=0)		4
(s=0)		MKYNNLNEFLNYVQARDPHQPEFLQAVEEVMTSLWPFIEKNPEYAEQGLLERLVEPERVIQFRVSWMDDQGQTQVNRAFRVQYNSAIGPFKGGMRFHPSVNLSILKFLGFEQTFKNSLTTLPMGGGKGGSDFNPKGKSDAEIMRFCQALMIELYRHLGPNTDIPAGDIGVGAREVGYMAGMMKKLSNDTACVFTGKGISFGGSLMRPEATGYGTVYFAEEMLKTRGQSFAGKTVSISGSGNVAQYAAEKAMFLGAKVVTLSDSNGTVYLKNGFTDELLAEVMELKNIQRGRISEFASKHGFEYFEGKTPWHIPVDIALPCATQNELTGEDAKMLIANGVICVAEGANMPSTLEAVEHFIEAKILYAPGKASNAGGVATSGLEMSQNSIRLGWTHAEVDERLHAIMKDIHANCVRYGTKEDGTVNYVDGANIAGFVKVADAMLAQGIY



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]
GLY93CA613[C], 2[O], 1[N],
GLY93N513[C], 2[O],
MET94O413[O], 1[N],
ARG95CB312[C], 1[O],
ARG95N111[O],
ARG95CD913[C], 2[N], 4[O],
ARG95CZ1711[P], 8[C], 3[N], 5[O],
ARG95NE1811[P], 7[C], 3[N], 7[O],
ARG95CA111[O],
ARG95CG912[N], 4[O], 3[C],
PHE96C211[O], 1[C],
PHE96O211[O], 1[C],
PHE96N111[O],
HIS97N111[C],
HIS97CG1114[N], 2[O], 1[P], 4[C],
HIS97CD22216[O], 5[N], 10[C], 1[P],
HIS97NE22119[C], 1[P], 5[N], 6[O],
HIS97C211[N], 1[C],
HIS97CA312[N], 1[C],
HIS97ND1813[N], 1[O], 4[C],
HIS97CB813[N], 2[O], 3[C],
HIS97CE11412[O], 5[N], 6[C], 1[P],
PRO98N211[C], 1[N],
PRO98CG211[N], 1[C],
PRO98CD311[C], 1[O], 1[N],
SER99CB412[C], 2[N],
SER99OG613[C], 3[N],
SER99CA111[N],
SER99N211[N], 1[C],
PHE107CZ412[C], 2[O],
PHE107CE2212[O],
PHE107CE1212[O],
LEU108CB211[C], 1[O],
LEU108CA111[O],
LEU108CD21113[O], 1[N], 7[C],
LEU108CD1512[O], 3[C],
LEU108CG513[C], 2[O],
GLN112CD313[C],
GLN112OE1711[N], 1[O], 5[C],
GLN112NE2514[C], 1[N],
LYS115CD511[N], 4[C],
LYS115CG313[C],
LYS115CE816[C], 1[N], 1[O],
LYS115NZ1414[O], 1[N], 9[C],
LYS115CB111[C],
LYS127NZ1715[O], 2[N], 10[C],
LYS127CE1212[O], 1[N], 9[C],
LYS127CG111[O],
LYS127CD211[C], 1[O],
ASN133OD1111[O],
PRO134CG111[O],
LYS135CG511[P], 4[O],
LYS135NZ2015[N], 6[O], 8[C], 1[P],
LYS135CE1818[C], 1[P], 6[O], 3[N],
LYS135CD811[P], 2[C], 4[O], 1[N],
LYS135CB312[O], 1[P],
LYS135CA111[O],
ALA165CA111[O],
ALA165C311[C], 1[O], 1[N],
ALA165CB311[N], 1[O], 1[C],
GLY166O1618[C], 1[P], 2[N], 5[O],
GLY166CA811[P], 3[C], 3[O], 1[N],
GLY166C1612[N], 6[O], 7[C], 1[P],
GLY166N512[O], 1[N], 2[C],
ASP167OD225112[C], 2[P], 9[O], 2[N],
ASP167CA27111[O], 2[N], 2[P], 12[C],
ASP167N2312[P], 10[C], 9[O], 2[N],
ASP167CG2419[O], 2[N], 2[P], 11[C],
ASP167C26111[O], 2[N], 2[P], 11[C],
ASP167O2312[N], 10[O], 9[C], 2[P],
ASP167OD12312[N], 8[O], 11[C], 2[P],
ASP167CB25110[O], 2[N], 11[C], 2[P],
ILE168CA3212[P], 15[C], 11[O], 4[N],
ILE168CG14112[P], 18[C], 7[N], 14[O],
ILE168CG23615[N], 14[O], 3[P], 14[C],
ILE168C2218[C], 2[P], 9[O], 3[N],
ILE168CD137113[O], 6[N], 16[C], 2[P],
ILE168O1411[N], 7[O], 2[P], 4[C],
ILE168N29113[C], 2[P], 11[O], 3[N],
ILE168CB3415[N], 12[O], 2[P], 15[C],
GLY169O411[P], 3[O],
GLY169N2017[C], 2[P], 2[N], 9[O],
GLY169CA1211[N], 7[O], 2[P], 2[C],
GLY169C712[P], 5[O],
VAL170CA511[P], 4[O],
VAL170N912[P], 1[N], 6[O],
VAL170O1111[C], 2[P], 1[N], 7[O],
VAL170CG2111[O],
VAL170CB313[O],
VAL170C712[P], 1[N], 4[O],
GLY171CA614[O], 1[N], 1[P],
GLY171N611[N], 4[O], 1[P],
ARG206O511[O], 1[N], 3[C],
ARG206CB111[O],
ARG206CZ711[O], 1[N], 5[C],
ARG206CD412[C], 1[N], 1[O],
ARG206CG211[O], 1[C],
ARG206C211[O], 1[C],
ARG206CA111[O],
ARG206NE513[C], 1[N], 1[O],
PRO207CA211[N], 1[O],
PRO207C311[N], 1[O], 1[C],
PRO207N111[O],
PRO207O411[C], 2[O], 1[N],
GLU208O111[O],
GLU208C111[O],
ALA209CA211[C], 1[O],
ALA209CB311[O], 2[C],
ALA209N211[O], 1[C],
ALA209O211[O], 1[C],
ALA209C614[C], 1[O], 1[N],
THR210N912[N], 1[O], 6[C],
THR210CA1012[N], 2[O], 6[C],
THR210OG11719[C], 1[P], 2[N], 5[O],
THR210CB1811[P], 10[C], 5[O], 2[N],
THR210C1016[C], 2[O], 2[N],
THR210O811[N], 1[O], 6[C],
THR210CG220111[C], 1[P], 2[N], 6[O],
GLY211N1016[C], 2[O], 2[N],
THR214OG1513[C], 1[N], 1[O],
SER237CB511[O], 2[N], 2[C],
SER237O1318[C], 4[O], 1[N],
SER237C1112[N], 2[O], 7[C],
SER237CA512[C], 2[O], 1[N],
SER237OG512[C], 1[O], 2[N],
GLY238C1712[N], 5[O], 2[P], 8[C],
GLY238CA2116[O], 3[N], 2[P], 10[C],
GLY238N1519[C], 4[O], 2[N],
GLY238O1216[C], 5[O], 1[N],
SER239OG1611[N], 7[O], 7[C], 1[P],
SER239CA1616[C], 2[P], 1[N], 7[O],
SER239O1719[O], 3[P], 5[C],
SER239CB1416[O], 1[N], 6[C], 1[P],
SER239C1911[N], 9[O], 3[P], 6[C],
SER239N2413[P], 8[C], 3[N], 10[O],
GLY240O1612[P], 4[C], 9[O], 1[N],
GLY240N24111[O], 1[N], 3[P], 9[C],
GLY240C2012[P], 7[C], 10[O], 1[N],
GLY240CA2211[N], 11[O], 3[P], 7[C],
ASN241O1512[P], 4[C], 1[N], 8[O],
ASN241N2312[P], 9[C], 11[O], 1[N],
ASN241OD12119[C], 2[P], 8[O], 2[N],
ASN241CB2118[C], 2[P], 9[O], 2[N],
ASN241C2112[P], 8[C], 9[O], 2[N],
ASN241ND21212[P], 3[C], 6[O], 1[N],
ASN241CA2118[C], 2[P], 1[N], 10[O],
ASN241CG1815[C], 2[P], 2[N], 9[O],
VAL242O714[O], 2[C], 1[P],
VAL242CG12218[O], 2[N], 1[P], 11[C],
VAL242CB28111[O], 2[N], 13[C], 2[P],
VAL242N2912[P], 14[C], 11[O], 2[N],
VAL242CA2512[N], 8[O], 13[C], 2[P],
VAL242CG228113[C], 2[P], 2[N], 11[O],
VAL242C1812[N], 7[O], 2[P], 7[C],
ALA243O111[O],
ALA243C111[O],
ALA243CB1416[C], 2[P], 6[O],
ALA243CA1214[C], 1[P], 7[O],
ALA243N1816[C], 2[P], 1[N], 9[O],
GLN244CB212[O],
GLN244CA111[O],
GLN244N414[O],
LEU260C111[O],
LEU260CD1111[O],
SER261C1511[P], 7[C], 2[N], 5[O],
SER261N613[O], 3[C],
SER261CB914[C], 3[O], 2[N],
SER261O1918[C], 1[P], 7[O], 3[N],
SER261OG1212[N], 3[O], 7[C],
SER261CA1115[C], 2[N], 4[O],
ASP262C2216[O], 5[N], 1[P], 10[C],
ASP262N1611[P], 7[C], 6[O], 2[N],
ASP262CA1919[C], 1[P], 6[O], 3[N],
ASP262CG1511[P], 6[C], 2[N], 6[O],
ASP262O1918[C], 1[P], 4[N], 6[O],
ASP262CB1918[C], 1[P], 3[N], 7[O],
ASP262OD21111[N], 5[O], 4[C], 1[P],
ASP262OD11312[N], 5[O], 5[C], 1[P],
SER263OG2119[C], 1[P], 5[N], 6[O],
SER263CB2115[N], 6[O], 1[P], 9[C],
SER263O1514[O], 4[N], 1[P], 6[C],
SER263CA2115[N], 6[O], 1[P], 9[C],
SER263C1711[P], 6[C], 5[O], 5[N],
SER263N2211[P], 10[C], 5[N], 6[O],
ASN264ND2511[P], 4[O],
ASN264OD1514[O], 1[P],
ASN264O111[O],
ASN264CB511[P], 4[O],
ASN264CA714[O], 1[N], 1[C], 1[P],
ASN264N1516[C], 1[P], 3[N], 5[O],
ASN264C111[O],
ASN264CG511[P], 4[O],
GLY265O413[O], 1[C],
GLY265CA111[O],
GLY265N511[C], 1[P], 2[O], 1[N],
LYS285CD1011[P], 4[C], 5[O],
LYS285NZ1116[O], 1[P], 4[C],
LYS285CG613[C], 3[O],
LYS285CA111[O],
LYS285CE1014[C], 1[P], 5[O],
LYS285CB411[C], 3[O],
ASN286OD1111[O],
ARG289O111[O],
ARG289C111[O],
GLY290O514[O], 1[P],
GLY290C212[O],
ARG291CA312[O], 1[P],
ARG291NE611[C], 1[P], 4[O],
ARG291C212[O],
ARG291N212[O],
ARG291CD511[P], 4[O],
ARG291CG212[O],
ARG291CB212[O],
ARG291CZ915[O], 1[P], 3[C],
ILE292CD1313[O],
ILE292CG2814[O], 3[C], 1[P],
ILE292CG1313[O],
ILE292N414[O],
ILE292CB212[O],
PRO319C513[C], 2[O],
PRO319O614[C], 2[O],
CYS320O3414[N], 12[O], 16[C], 2[P],
CYS320C31110[O], 4[N], 2[P], 15[C],
CYS320CB1311[P], 6[C], 5[O], 1[N],
CYS320CA1711[N], 5[O], 10[C], 1[P],
CYS320N915[O], 4[C],
CYS320SG513[C], 2[O],
ALA321C36112[O], 6[N], 2[P], 16[C],
ALA321O39114[O], 6[N], 17[C], 2[P],
ALA321N2919[O], 4[N], 15[C], 1[P],
ALA321CB3015[N], 10[O], 2[P], 13[C],
ALA321CA33110[O], 6[N], 15[C], 2[P],
THR322CA2711[P], 14[C], 6[N], 6[O],
THR322CG220112[C], 3[O], 5[N],
THR322OG12415[N], 5[O], 14[C],
THR322N3016[N], 8[O], 1[P], 15[C],
THR322CB28115[C], 8[O], 5[N],
THR322C2115[O], 5[N], 11[C],
THR322O1915[N], 4[O], 10[C],
GLN323C311[C], 1[N], 1[O],
GLN323CG411[O], 2[N], 1[C],
GLN323CA713[C], 2[N], 2[O],
GLN323O613[N], 1[O], 2[C],
GLN323CD712[O], 2[N], 3[C],
GLN323OE11217[C], 2[O], 3[N],
GLN323NE2512[N], 1[O], 2[C],
GLN323N18110[C], 3[O], 5[N],
GLN323CB312[O], 1[C],
ASN324N111[O],
GLU325OE1913[N], 1[O], 5[C],
GLU325CB714[C], 3[N],
GLU325N111[N],
GLU325CD1112[O], 3[N], 6[C],
GLU325CG713[C], 1[O], 3[N],
GLU325OE21318[C], 2[N], 3[O],
GLU325CA311[C], 2[N],
GLU344C611[N], 1[O], 4[C],
GLU344O513[C], 1[O], 1[N],
GLY345N711[N], 2[O], 4[C],
GLY345O21111[C], 1[P], 7[O], 2[N],
GLY345CA1413[O], 1[N], 10[C],
GLY345C1815[O], 1[N], 11[C], 1[P],
ALA346O1511[N], 4[O], 10[C],
ALA346CA1715[O], 1[N], 1[P], 10[C],
ALA346CB1616[O], 1[N], 8[C], 1[P],
ALA346C1511[N], 4[O], 10[C],
ALA346N17110[C], 1[P], 5[O], 1[N],
ASN347O1013[O], 1[N], 6[C],
ASN347CB15110[C], 4[O], 1[N],
ASN347N1511[N], 4[O], 10[C],
ASN347C1011[N], 3[O], 6[C],
ASN347CG1614[O], 1[N], 11[C],
ASN347ND219111[C], 6[O], 2[N],
ASN347OD11313[O], 1[N], 9[C],
ASN347CA1514[O], 1[N], 10[C],
MET348C111[O],
MET348CA111[O],
MET348N915[C], 1[N], 3[O],
MET348O111[O],
MET348CB111[O],
PRO349CA111[O],
PRO349CD513[C], 2[O],
PRO349N211[O], 1[C],
PRO349CB312[C], 1[O],
PRO349CG412[O], 2[C],
GLY368O413[C], 1[N],
GLY368CA212[C],
GLY368C212[C],
SER371O212[C],
SER371C212[C],
ASN372OD11419[C], 1[N], 4[O],
ASN372ND214110[C], 3[O], 1[N],
ASN372N413[C], 1[N],
ASN372CB15110[C], 4[O], 1[N],
ASN372CG15110[C], 4[O], 1[N],
ASN372C1011[N], 2[O], 7[C],
ASN372CA1012[O], 1[N], 7[C],
ASN372O1117[C], 2[O], 2[N],
ALA373C313[C],
ALA373CA313[C],
ALA373O212[C],
ALA373CB111[C],
ALA373N514[C], 1[N],
GLY374O312[C], 1[O],
GLY374C511[O], 4[C],
GLY374N411[O], 3[C],
GLY374CA311[O], 2[C],
GLY375C811[O], 1[N], 6[C],
GLY375CA916[C], 1[O], 2[N],
GLY375O611[O], 1[N], 4[C],
GLY375N911[O], 2[N], 6[C],
VAL376C211[C], 1[O],
VAL376CG2212[C],
VAL376CA511[O], 4[C],
VAL376N816[C], 1[N], 1[O],
VAL376CB615[C], 1[O],
VAL376CG1212[C],
ALA377N111[C],
SER379OG312[C], 1[O],
SER379CB111[O],
Total = 320



Download csv file of statistical distribution of contacts