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 :C5_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 C5_S1
Complex: 57M_A_2(5CKR) / Model_2(5CKR/A) = [4.9] Download2469.5325.06MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR
Consensus
[pKd Mean = 4.90]		-2469
(s=0)		25
(s=0)		MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR



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]
LYS52NZ212[O],
LYS68NZ1712[N], 6[O], 9[C],
LYS68CA713[O], 4[C],
LYS68CG1216[C], 4[O], 2[N],
LYS68O813[O], 1[N], 4[C],
LYS68C613[O], 3[C],
LYS68CE1515[O], 2[N], 8[C],
LYS68CB1112[N], 4[O], 5[C],
LYS68CD1619[C], 2[N], 5[O],
LYS68N211[O], 1[C],
MET69N311[C], 2[O],
MET69CA312[O], 1[C],
MET69CG111[O],
MET69SD212[O],
THR71OG1411[O], 1[N], 2[C],
THR71O613[C], 3[O],
THR71C212[O],
THR71CB813[O], 2[N], 3[C],
THR71CG21013[O], 2[N], 5[C],
PRO72N111[O],
PRO72C613[C], 3[O],
PRO72CA111[O],
PRO72O1214[O], 8[C],
THR73C714[C], 3[O],
THR73OG11711[N], 5[O], 11[C],
THR73N713[O], 4[C],
THR73CG2914[C], 5[O],
THR73O412[C], 2[O],
THR73CB1615[O], 1[N], 10[C],
THR73CA1315[O], 8[C],
MET74CG412[O], 2[C],
MET74CB212[O],
MET74O111[O],
MET74C212[O],
MET74N913[O], 1[N], 5[C],
MET74CA513[C], 2[O],
GLY75N311[C], 2[O],
GLY75CA111[O],
GLY75C111[O],
GLY76CA111[O],
GLY76N111[O],
GLY112O111[N],
ASP115OD2111[O],
ASP116CB411[C], 3[O],
ASP116OD2915[C], 3[O], 1[N],
ASP116CG915[C], 1[N], 3[O],
ASP116OD11011[N], 4[O], 5[C],
LYS119CG111[O],
LYS119CE1316[C], 5[O], 2[N],
LYS119NZ1619[C], 2[N], 5[O],
LYS119CD714[O], 3[C],
LYS133NZ412[N], 2[C],
SER200O111[N],
ASN201C211[N], 1[C],
ASN201OD1111[N],
ASN201O711[N], 6[C],
ALA202O111[C],
VAL203CG1111[N],
VAL203CB111[N],
VAL203C413[C], 1[N],
VAL203CA111[N],
VAL203O614[C], 2[N],
ASN204C18111[C], 3[N], 4[O],
ASN204CA1111[O], 3[N], 7[C],
ASN204CG1714[O], 3[N], 10[C],
ASN204O27116[C], 3[N], 8[O],
ASN204N614[C], 2[N],
ASN204OD121112[C], 3[N], 6[O],
ASN204ND21713[N], 3[O], 11[C],
ASN204CB1016[C], 3[N], 1[O],
LEU205C19111[C], 4[N], 4[O],
LEU205CB1413[N], 2[O], 9[C],
LEU205CG1612[O], 3[N], 11[C],
LEU205O2514[N], 6[O], 15[C],
LEU205CD11319[C], 2[O], 2[N],
LEU205N1312[O], 3[N], 8[C],
LEU205CD21419[C], 2[O], 3[N],
LEU205CA2014[O], 4[N], 12[C],
THR206CA513[C], 2[N],
THR206O1613[N], 4[O], 9[C],
THR206N1113[N], 1[O], 7[C],
THR206C1815[N], 4[O], 9[C],
ASP207CA3114[N], 8[O], 19[C],
ASP207C36112[O], 5[N], 19[C],
ASP207CG30118[C], 4[N], 8[O],
ASP207O4217[N], 12[O], 23[C],
ASP207CB3214[N], 9[O], 19[C],
ASP207OD23018[O], 4[N], 18[C],
ASP207OD130118[C], 4[N], 8[O],
ASP207N27115[C], 5[N], 7[O],
GLY208CA37120[C], 6[N], 11[O],
GLY208O29116[C], 5[N], 8[O],
GLY208N3414[N], 11[O], 19[C],
GLY208C3219[O], 4[N], 19[C],
LEU209N26116[C], 3[N], 7[O],
LEU209CD21312[N], 5[O], 6[C],
LEU209CA1912[N], 6[O], 11[C],
LEU209O1418[C], 2[N], 4[O],
LEU209C1414[O], 2[N], 8[C],
LEU209CG1115[C], 2[N], 4[O],
LEU209CD1311[O], 1[N], 1[C],
LEU209CB1112[N], 4[O], 5[C],
ASP210N1116[C], 2[N], 3[O],
ASP210CA915[C], 2[O], 2[N],
ASP210CB912[O], 2[N], 5[C],
ASP210CG1216[C], 4[O], 2[N],
ASP210OD21016[C], 2[N], 2[O],
ASP210C814[C], 2[N], 2[O],
ASP210O613[C], 2[O], 1[N],
ASP210OD11414[O], 2[N], 8[C],
GLY211C311[C], 1[O], 1[N],
GLY211N812[N], 2[O], 4[C],
GLY211O111[O],
GLY211CA411[N], 1[O], 2[C],
LEU212N612[O], 1[N], 3[C],
LEU212CB812[O], 2[N], 4[C],
LEU212CD2914[C], 2[N], 3[O],
LEU212C311[C], 1[O], 1[N],
LEU212CG311[N], 1[O], 1[C],
LEU212CA412[C], 1[N], 1[O],
ALA213C111[O],
ALA213CA312[C], 1[O],
ALA213CB613[C], 2[N], 1[O],
ALA213N412[C], 1[N], 1[O],
ILE214N111[O],
ILE214CA111[O],
ILE214CB111[O],
ILE214CG2111[O],
PHE265CD1111[O],
PHE265CE1311[C], 2[O],
PHE265CE2512[C], 1[N], 2[O],
PHE265CZ613[C], 1[N], 2[O],
PHE265CD2111[O],
ASN269CB411[N], 1[O], 2[C],
ASN269C311[N], 1[O], 1[C],
ASN269CG914[C], 2[N], 3[O],
ASN269O612[O], 1[N], 3[C],
ASN269ND21116[C], 2[N], 3[O],
ASN269OD1912[N], 3[O], 4[C],
ASN269CA311[N], 1[O], 1[C],
ASN269N111[O],
ALA270C111[O],
ALA270N111[O],
ALA270CA111[O],
HIS271CD2311[N], 1[O], 1[C],
HIS271CG111[O],
HIS271N211[N], 1[O],
HIS271NE2111[O],
HIS271CA111[N],
ALA273O411[N], 2[O], 1[C],
ALA273C311[N], 1[O], 1[C],
ALA273CA512[C], 2[O], 1[N],
ALA273CB814[C], 2[O], 2[N],
ALA273N512[O], 1[N], 2[C],
GLN274N111[O],
VAL275CG1111[O],
VAL275O1216[C], 4[O], 2[N],
VAL275CA513[O], 2[C],
VAL275CG2212[O],
VAL275N211[O], 1[C],
VAL275C1116[C], 3[O], 2[N],
PHE276CZ2512[N], 9[O], 14[C],
PHE276CD125114[C], 9[O], 2[N],
PHE276CG2719[O], 3[N], 15[C],
PHE276CA2217[O], 3[N], 12[C],
PHE276CD226115[C], 9[O], 2[N],
PHE276N1412[N], 3[O], 9[C],
PHE276O1318[C], 4[O], 1[N],
PHE276C1813[N], 5[O], 10[C],
PHE276CB2619[O], 3[N], 14[C],
PHE276CE22519[O], 2[N], 14[C],
PHE276CE124113[C], 9[O], 2[N],
MET277CE815[C], 1[N], 2[O],
MET277CA1518[C], 5[O], 2[N],
MET277CB1515[O], 2[N], 8[C],
MET277C1415[O], 1[N], 8[C],
MET277O915[C], 1[N], 3[O],
MET277CG1116[C], 4[O], 1[N],
MET277SD916[C], 1[N], 2[O],
MET277N1715[O], 3[N], 9[C],
GLY278C1216[C], 2[N], 4[O],
GLY278CA1214[O], 1[N], 7[C],
GLY278N1519[C], 1[N], 5[O],
GLY278O1111[N], 4[O], 6[C],
ASP279CG1418[C], 2[N], 4[O],
ASP279OD216110[C], 4[O], 2[N],
ASP279OD11513[N], 4[O], 8[C],
ASP279N1014[O], 1[N], 5[C],
ASP279C713[O], 1[N], 3[C],
ASP279CA1015[C], 1[N], 4[O],
ASP279O613[C], 1[N], 2[O],
ASP279CB911[N], 3[O], 5[C],
VAL280CG2211[N], 1[O],
VAL280CA412[C], 1[O], 1[N],
VAL280N613[C], 2[O], 1[N],
VAL280CB211[N], 1[O],
VAL280O111[N],
VAL280C311[O], 1[N], 1[C],
GLY281O111[N],
GLY281CA412[C], 1[O], 1[N],
GLY281C411[O], 1[N], 2[C],
GLY281N513[C], 1[O], 1[N],
ALA282CA511[N], 1[O], 3[C],
ALA282O111[N],
ALA282N513[C], 1[N], 1[O],
ALA282C211[C], 1[N],
ALA282CB711[N], 2[O], 4[C],
LEU283CD1111[N],
LEU283CD2111[N],
LEU283CA111[N],
LEU283CG211[N], 1[C],
LEU283CB111[N],
LEU283N211[N], 1[C],
GLU312O111[C],
ALA313C111[C],
ALA313O111[C],
ALA313CA111[C],
SER315O711[N], 1[O], 5[C],
SER315C413[C], 1[O],
SER315CA111[C],
SER315OG212[C],
VAL316CB17111[C], 3[O], 3[N],
VAL316CG22314[O], 4[N], 15[C],
VAL316N611[O], 1[N], 4[C],
VAL316CG120114[C], 3[N], 3[O],
VAL316O1119[C], 1[N], 1[O],
VAL316CA15111[C], 3[N], 1[O],
VAL316C1018[C], 1[O], 1[N],
PHE317O111[C],
PHE317CA212[C],
PHE317N414[C],
PHE317C111[C],
LEU318O111[C],
LEU318C111[C],
LEU318N111[C],
GLN319N413[C], 1[O],
GLN319OE1811[N], 2[O], 5[C],
GLN319C815[C], 1[N], 2[O],
GLN319NE21116[C], 3[O], 2[N],
GLN319O715[C], 2[O],
GLN319CA815[C], 1[N], 2[O],
GLN319CB1117[C], 2[O], 2[N],
GLN319CG1217[C], 3[O], 2[N],
GLN319CD1113[O], 2[N], 6[C],
ILE320CG2313[C],
ILE320N812[O], 1[N], 5[C],
ILE320CB817[C], 1[O],
ILE320C212[C],
ILE320CG11311[N], 3[O], 9[C],
ILE320CA712[O], 5[C],
ILE320CD11211[N], 1[O], 10[C],
ILE320O212[C],
GLY321N111[C],
LEU323CB513[C], 2[O],
LEU323CG712[O], 5[C],
LEU323CD2612[O], 4[C],
LEU323CD1815[C], 1[N], 2[O],
ARG329CB312[O], 1[C],
ARG329CG613[C], 2[O], 1[N],
ARG329NE312[O], 1[C],
ARG329CA312[O], 1[C],
ARG329CZ311[C], 2[O],
ARG329N212[O],
ARG329C212[O],
ARG329CD613[C], 2[O], 1[N],
VAL330CA111[O],
VAL330C111[O],
VAL330CB111[O],
VAL330N312[O], 1[C],
PHE331O711[N], 2[O], 4[C],
PHE331C511[N], 2[O], 2[C],
PHE331CD2211[C], 1[O],
PHE331CB311[C], 1[N], 1[O],
PHE331N311[C], 2[O],
PHE331CE2111[O],
PHE331CA211[O], 1[C],
PHE331CG111[O],
LEU332CB111[O],
LEU332CA411[N], 2[O], 1[C],
LEU332N311[C], 2[O],
LEU332C1117[C], 2[N], 2[O],
LEU332O1213[O], 2[N], 7[C],
MET333CE1615[N], 3[O], 8[C],
MET333CG19111[C], 4[N], 4[O],
MET333CA1914[N], 4[O], 11[C],
MET333CB2014[O], 4[N], 12[C],
MET333SD1819[C], 4[O], 5[N],
MET333O1412[N], 3[O], 9[C],
MET333N1313[O], 2[N], 8[C],
MET333C2014[O], 4[N], 12[C],
ALA334N2315[N], 4[O], 14[C],
ALA334O30118[C], 5[O], 7[N],
ALA334CB22115[C], 4[O], 3[N],
ALA334CA24116[C], 4[N], 4[O],
ALA334C2916[N], 5[O], 18[C],
PRO335CG29118[C], 6[N], 5[O],
PRO335O16110[C], 2[O], 4[N],
PRO335CD3517[N], 6[O], 22[C],
PRO335CB1815[N], 2[O], 11[C],
PRO335CA2114[N], 3[O], 14[C],
PRO335N28118[C], 6[N], 4[O],
PRO335C1313[N], 2[O], 8[C],
LEU336N211[N], 1[O],
HIS337CE120111[C], 5[N], 4[O],
HIS337ND1212[O],
HIS337CG212[O],
HIS337NE223112[C], 6[N], 5[O],
HIS337CD21215[C], 3[N], 4[O],
HIS338CE13017[O], 8[N], 15[C],
HIS338CA915[C], 3[N], 1[O],
HIS338NE23218[N], 6[O], 18[C],
HIS338C411[N], 3[C],
HIS338ND12116[N], 6[O], 9[C],
HIS338CD226113[C], 6[O], 7[N],
HIS338CG2019[C], 6[N], 5[O],
HIS338CB1617[C], 4[O], 5[N],
HIS338N711[O], 3[N], 3[C],
HIS338O311[N], 2[C],
HIS339N212[C],
GLU341OE1111[O],
LYS342CE111[C],
LYS342NZ512[O], 3[C],
LYS342CG311[N], 2[C],
LYS342CD412[C], 1[N], 1[O],
GLU347CB111[O],
GLU347OE1512[C], 1[O], 2[N],
GLU347OE21116[C], 2[N], 3[O],
GLU347CD712[N], 2[O], 3[C],
GLU347CG311[C], 1[N], 1[O],
VAL351CG2211[N], 1[O],
Total = 330



Download csv file of statistical distribution of contacts