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 :C4_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 C4_S1
Complex: NDP_A_3(1LQA) / Model_1(1LQA/A) = [13.8] Download1176.1025.02MQFKPLGHTGINLPEICLGTMTFGEQNTQQEAFEQLNYALEHGLYFWDTAEMYSVPPKPETYGATETILGNWFAQHGQRDKVFLASKIAGPGFGGTHIRDGHTKFNSEHISQAIDGSLKRLKTDYIDLYQLHWPERHTNFFGTLAYGNQQAQNDYDTTPLEETLLALQKEINRGRIRYIGLSNETPWGTMKFLQLAENLGVSKFVSVQNPYSVLNRTYEIGMSEIAKYEGVGLLAYSPLAFGYLTGKFRNGARPANARVTLFPRFSRYSNPQSEWATEQYAQLAEKHGLSLTQLALAFIKQQFFVTSTIIGATNLDQLKENIQAFEIELSPEILQGIEAIHIQQPNPAP
Consensus
[pKd Mean = 13.80]		-1176
(s=0)		25
(s=0)		MQFKPLGHTGINLPEICLGTMTFGEQNTQQEAFEQLNYALEHGLYFWDTAEMYSVPPKPETYGATETILGNWFAQHGQRDKVFLASKIAGPGFGGTHIRDGHTKFNSEHISQAIDGSLKRLKTDYIDLYQLHWPERHTNFFGTLAYGNQQAQNDYDTTPLEETLLALQKEINRGRIRYIGLSNETPWGTMKFLQLAENLGVSKFVSVQNPYSVLNRTYEIGMSEIAKYEGVGLLAYSPLAFGYLTGKFRNGARPANARVTLFPRFSRYSNPQSEWATEQYAQLAEKHGLSLTQLALAFIKQQFFVTSTIIGATNLDQLKENIQAFEIELSPEILQGIEAIHIQQPNPAP



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]
LEU18C311[C], 2[O],
LEU18O212[O],
GLY19C714[C], 3[O],
GLY19N713[O], 4[C],
GLY19CA813[O], 5[C],
GLY19O412[O], 2[C],
THR20N815[C], 3[O],
THR20CB212[O],
THR20O111[O],
THR20CA412[O], 2[C],
THR20C412[O], 2[C],
THR20OG1312[O], 1[C],
THR20CG2212[O],
MET21CA412[C], 2[O],
MET21N512[O], 3[C],
MET21CE18110[C], 1[N], 6[O], 1[P],
MET21CG1516[O], 1[N], 7[C], 1[P],
MET21CB915[C], 1[N], 3[O],
MET21SD1811[P], 10[C], 1[N], 6[O],
MET21C111[O],
THR22CG2413[O], 1[C],
THR22N111[O],
THR22OG1111[O],
THR22CB111[O],
GLN26CG111[O],
GLN26CD511[P], 4[O],
GLN26OE1514[O], 1[P],
GLN26CB111[O],
GLN26NE2511[P], 4[O],
ASP48O412[O], 2[C],
ASP48OD21113[O], 2[N], 6[C],
ASP48OD1312[C], 1[O],
ASP48CB412[O], 2[C],
ASP48CA111[O],
ASP48C211[O], 1[C],
ASP48N111[O],
ASP48CG714[C], 1[N], 2[O],
THR49CA111[O],
THR49O111[O],
THR49N111[O],
TYR53CD2312[O], 1[C],
TYR53CZ1312[O], 2[N], 9[C],
TYR53CE1513[C], 1[N], 1[O],
TYR53CE2712[O], 1[N], 4[C],
LYS87CD511[O], 1[N], 3[C],
LYS87CE915[C], 2[N], 2[O],
LYS87NZ811[O], 2[N], 5[C],
LYS87CG111[N],
HIS132ND1311[C], 1[N], 1[O],
HIS132NE2611[O], 1[N], 4[C],
HIS132O311[O], 1[N], 1[C],
HIS132CD2511[O], 1[N], 3[C],
HIS132CG311[C], 1[N], 1[O],
HIS132C211[O], 1[N],
HIS132CE1513[C], 1[N], 1[O],
HIS132CA111[N],
TRP133CE3111[O],
PHE141CD1111[O],
PHE141CD2111[O],
PHE141CZ412[C], 1[N], 1[O],
PHE141CE1411[O], 3[C],
PHE141CE2111[O],
SER182OG513[C], 1[N], 1[O],
SER182CB311[O], 1[N], 1[C],
SER182CA111[N],
SER182C111[N],
ASN183CG412[C], 1[N], 1[O],
ASN183OD1513[C], 1[N], 1[O],
ASN183N311[O], 1[N], 1[C],
ASN183ND2513[C], 1[N], 1[O],
ASN183CB211[N], 1[O],
GLN208NE2613[C], 2[N], 1[O],
GLN208CB211[N], 1[C],
GLN208CG614[C], 2[N],
GLN208CD1013[O], 2[N], 5[C],
GLN208OE11513[O], 2[N], 10[C],
GLN208CA111[N],
GLN208C211[C], 1[N],
GLN208O311[C], 1[N], 1[O],
ASN209N111[N],
ALA235O111[O],
ALA235C111[O],
TYR236CD11519[C], 2[N], 4[O],
TYR236O313[O],
TYR236CE2911[O], 6[C], 2[N],
TYR236N211[C], 1[O],
TYR236CG1419[C], 2[N], 3[O],
TYR236CB1613[O], 2[N], 11[C],
TYR236CZ911[O], 2[N], 6[C],
TYR236CA1213[O], 1[N], 8[C],
TYR236CD21117[C], 2[N], 2[O],
TYR236CE11112[O], 2[N], 7[C],
TYR236C1412[P], 6[C], 1[N], 5[O],
SER237O514[O], 1[P],
SER237N1812[P], 7[O], 1[N], 8[C],
SER237CB1412[P], 4[C], 8[O],
SER237C912[P], 6[O], 1[C],
SER237OG1918[O], 1[N], 8[C], 2[P],
SER237CA1418[O], 4[C], 2[P],
PRO238O311[P], 2[O],
PRO238C411[P], 3[O],
PRO238CB312[O], 1[P],
PRO238N911[C], 6[O], 2[P],
PRO238CD1112[P], 2[C], 7[O],
PRO238CG511[P], 1[C], 3[O],
PRO238CA413[O], 1[P],
LEU239N611[P], 4[O], 1[C],
LEU239O514[O], 1[P],
LEU239CG1315[C], 2[N], 5[O], 1[P],
LEU239C514[O], 1[P],
LEU239CA611[P], 1[C], 4[O],
LEU239CB1215[O], 2[N], 4[C], 1[P],
LEU239CD11911[P], 4[O], 5[N], 9[C],
LEU239CD2411[P], 1[N], 2[O],
ALA240CB111[O],
ALA240CA312[O], 1[P],
ALA240O312[O], 1[P],
ALA240C514[O], 1[P],
ALA240N511[P], 4[O],
PHE241CB812[P], 4[O], 2[C],
PHE241C1612[P], 8[O], 1[N], 5[C],
PHE241CZ211[O], 1[C],
PHE241CE2111[O],
PHE241CD2111[O],
PHE241CD1912[P], 6[O], 1[C],
PHE241N1012[P], 2[C], 6[O],
PHE241O1612[P], 5[C], 1[N], 8[O],
PHE241CE1811[P], 3[C], 4[O],
PHE241CG413[O], 1[P],
PHE241CA1117[O], 2[C], 2[P],
GLY242CA1716[O], 2[N], 8[C], 1[P],
GLY242O613[C], 2[N], 1[O],
GLY242C712[O], 2[N], 3[C],
GLY242N1517[O], 1[N], 6[C], 1[P],
TYR243N111[O],
THR245CA312[N], 1[C],
THR245CG21216[C], 5[N], 1[O],
THR245OG1714[C], 3[N],
THR245CB814[N], 4[C],
LYS247CE1211[P], 3[O], 5[C], 3[N],
LYS247CD1111[P], 4[O], 3[C], 3[N],
LYS247CB211[C], 1[N],
LYS247NZ1611[P], 3[N], 7[C], 5[O],
LYS247CG311[O], 1[N], 1[C],
PHE248CZ111[O],
PHE248CE1111[O],
ASN256C411[P], 3[O],
ASN256O413[O], 1[P],
ALA257CA514[O], 1[P],
ALA257CB511[P], 4[O],
ALA257C511[P], 4[O],
ALA257N411[P], 3[O],
ALA257O312[O], 1[P],
ARG258N511[P], 4[O],
ARG258O111[O],
ARG258CB812[C], 5[O], 1[P],
ARG258CD611[P], 1[C], 4[O],
ARG258CG411[P], 3[O],
ARG258C311[P], 2[O],
ARG258CA511[P], 4[O],
ARG258NE1418[O], 4[C], 2[P],
ARG258CZ17110[O], 4[C], 3[P],
VAL259N212[O],
LEU261CD1111[O],
TYR268CE2111[O],
THR292C111[N],
THR292CB713[N], 4[C],
THR292CA211[C], 1[N],
THR292CG2914[N], 5[C],
THR292OG11015[C], 5[N],
LEU296CD2111[O],
ILE309CG1512[O], 3[C],
ILE309O1312[P], 6[O], 5[C],
ILE309CB1015[C], 1[N], 4[O],
ILE309CG21015[C], 1[N], 4[O],
ILE309CA512[O], 3[C],
ILE309CD1714[C], 1[N], 2[O],
ILE309C714[C], 3[O],
ILE309N111[O],
ILE310N312[C], 1[O],
ILE310O1114[C], 6[O], 1[P],
ILE310CG2311[O], 1[N], 1[C],
ILE310CA412[O], 2[C],
ILE310C1212[P], 4[C], 6[O],
GLY311CA1812[P], 8[O], 8[C],
GLY311N1612[P], 7[O], 7[C],
GLY311C1817[C], 2[N], 7[O], 2[P],
GLY311O1811[P], 8[C], 2[N], 7[O],
ALA312C915[C], 1[N], 3[O],
ALA312CB611[O], 2[N], 3[C],
ALA312CA1418[C], 2[N], 4[O],
ALA312N1216[C], 2[N], 4[O],
ALA312O311[O], 2[C],
THR313OG1915[O], 3[C], 1[P],
THR313C111[O],
THR313O111[O],
THR313CB811[P], 5[O], 2[C],
THR313N1115[C], 1[N], 4[O], 1[P],
THR313CG21014[C], 5[O], 1[P],
THR313CA712[C], 4[O], 1[P],
ASN314CG111[O],
ASN314N111[O],
ASN314ND2111[O],
ASP316O111[N],
GLN317CB1217[C], 5[N],
GLN317O613[C], 3[N],
GLN317CG1311[O], 5[N], 7[C],
GLN317CA1015[C], 5[N],
GLN317NE22016[O], 5[N], 8[C], 1[P],
GLN317C513[C], 2[N],
GLN317OE12116[O], 5[N], 9[C], 1[P],
GLN317CD2015[O], 5[N], 9[C], 1[P],
GLN317N312[C], 1[N],
LEU318N212[N],
GLU320C111[N],
GLU320CD312[N], 1[C],
GLU320OE1613[C], 3[N],
GLU320CG211[C], 1[N],
GLU320N111[N],
GLU320OE2311[C], 2[N],
GLU320CB211[C], 1[N],
GLU320CA111[N],
ASN321ND21015[C], 4[N], 1[O],
ASN321CG814[N], 4[C],
ASN321CA111[N],
ASN321CB312[N], 1[C],
ASN321OD1814[C], 4[N],
ASN321N111[N],
Total = 228



Download csv file of statistical distribution of contacts