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 :C2_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 C2_S1
Complex: FAD_B_7(2PG0) / Model_21(2PG0/B) = [9.0] Download818.9915.43MQSGAIRPIPNMLPRHLFNEEHEAFRETVRKFYEKEVVPNIEKYEKQQHVDRDLWNKAGALGLLCTTMPEQYGGSGVDRLYSMILIEEQAYAMDSSTGFSLHSDIVANYINNFGNEEQKQKWLPKMATGETVTAIAMTEPGTGSDLQAVRTTAVLDGDEYVINGSKIFITNGYLCDMAIVVCKTGNSDKGSANLSLIIVEANRAGFTKGKPLNKIGMKGQDTCELFFDNVRVPKENLLGMEGMGFIMLMKELAWERMLVAIICQAGAEAAFAHTVQYTKDRKAFGKPIGAFQNTRFKLAELRTEIDFCRTYLDRCMELQLNEKLSVEAAAAAKYKISDMFSKVVDECLQLHGGYGYMIEYPIARAYIDHRANRIYAGTNEIMKELISRTL
Consensus
[pKd Mean = 9.00]		-818
(s=0)		15
(s=0)		MQSGAIRPIPNMLPRHLFNEEHEAFRETVRKFYEKEVVPNIEKYEKQQHVDRDLWNKAGALGLLCTTMPEQYGGSGVDRLYSMILIEEQAYAMDSSTGFSLHSDIVANYINNFGNEEQKQKWLPKMATGETVTAIAMTEPGTGSDLQAVRTTAVLDGDEYVINGSKIFITNGYLCDMAIVVCKTGNSDKGSANLSLIIVEANRAGFTKGKPLNKIGMKGQDTCELFFDNVRVPKENLLGMEGMGFIMLMKELAWERMLVAIICQAGAEAAFAHTVQYTKDRKAFGKPIGAFQNTRFKLAELRTEIDFCRTYLDRCMELQLNEKLSVEAAAAAKYKISDMFSKVVDECLQLHGGYGYMIEYPIARAYIDHRANRIYAGTNEIMKELISRTL



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]
ASP94O313[C],
ASP94CG111[C],
ASP94C111[C],
ASP94CA111[C],
ASP94CB111[C],
ASP94OD2111[C],
SER95O111[C],
SER95C111[C],
SER95N111[C],
SER95OG111[C],
SER95CA111[C],
THR97OG11211[O], 1[N], 10[C],
THR97CB911[O], 1[N], 7[C],
THR97CG2511[N], 4[C],
THR97O611[O], 1[N], 4[C],
THR97CA411[N], 2[C], 1[O],
THR97C511[N], 3[C], 1[O],
THR97N111[C],
GLY98O111[O],
GLY98CA511[O], 1[N], 3[C],
GLY98N511[O], 3[C], 1[N],
GLY98C111[O],
LEU101N211[C], 1[O],
LEU101O311[N], 1[C], 1[O],
LEU101CA511[O], 2[N], 2[C],
LEU101CG1412[O], 4[N], 8[C],
LEU101CD12013[O], 4[N], 13[C],
LEU101C311[O], 1[N], 1[C],
LEU101CB911[O], 6[C], 2[N],
LEU101CD21412[O], 8[C], 4[N],
HIS102N111[O],
HIS102CA111[O],
ILE105CG1512[N], 2[C], 1[O],
ILE105CA211[O], 1[N],
ILE105C211[N], 1[O],
ILE105CG2912[O], 3[N], 4[C],
ILE105CD1111[O],
ILE105CB713[C], 2[N], 2[O],
VAL106CG1311[N], 1[C], 1[O],
VAL106CA311[O], 1[C], 1[N],
VAL106CG2812[O], 3[C], 3[N],
VAL106CB311[N], 1[C], 1[O],
VAL106N311[N], 1[C], 1[O],
TYR109CE1211[O], 1[N],
TYR109CZ211[N], 1[O],
THR133O311[C], 1[N], 1[O],
THR133CA111[O],
THR133OG1111[O],
THR133C311[O], 1[N], 1[C],
ALA134C912[O], 3[N], 4[C],
ALA134N513[C], 1[N], 1[O],
ALA134O712[O], 2[N], 3[C],
ALA134CA914[C], 3[N], 2[O],
ALA134CB1015[C], 3[N], 2[O],
ILE135O1813[O], 4[N], 11[C],
ILE135C1514[N], 8[C], 3[O],
ILE135CD1812[N], 4[C], 2[O],
ILE135CB1114[N], 5[C], 2[O],
ILE135CG11012[O], 4[N], 4[C],
ILE135CA1212[O], 4[N], 6[C],
ILE135CG21619[C], 4[N], 3[O],
ILE135N1216[C], 4[N], 2[O],
ALA136N1414[N], 7[C], 3[O],
ALA136C1513[O], 8[C], 4[N],
ALA136CA1513[O], 4[N], 8[C],
ALA136CB1312[O], 4[N], 7[C],
ALA136O1112[O], 5[C], 4[N],
MET137C2518[O], 4[N], 12[C], 1[P],
MET137O2117[O], 4[N], 9[C], 1[P],
MET137CG18110[C], 4[N], 4[O],
MET137CE2014[O], 4[N], 12[C],
MET137CB2314[N], 12[C], 7[O],
MET137N1914[O], 11[C], 4[N],
MET137SD18110[C], 4[N], 4[O],
MET137CA2016[O], 4[N], 10[C],
THR138OG135112[O], 17[C], 4[N], 2[P],
THR138O2518[O], 12[C], 4[N], 1[P],
THR138CB3312[P], 4[N], 16[C], 11[O],
THR138CG235112[O], 4[N], 17[C], 2[P],
THR138C2912[P], 4[N], 12[C], 11[O],
THR138CA3112[P], 4[N], 14[C], 11[O],
THR138N2911[P], 4[N], 14[C], 10[O],
GLU139N2812[P], 4[N], 12[C], 10[O],
GLU139CB1011[P], 1[N], 3[C], 5[O],
GLU139O2512[P], 11[O], 2[N], 10[C],
GLU139CD111[O],
GLU139CG612[N], 2[C], 2[O],
GLU139C2112[P], 2[N], 7[C], 10[O],
GLU139OE2111[O],
GLU139CA2512[P], 3[N], 10[C], 10[O],
PRO140C1312[P], 3[C], 8[O],
PRO140N1512[P], 2[N], 3[C], 8[O],
PRO140CA1112[C], 7[O], 2[P],
PRO140CB413[O], 1[P],
PRO140O1512[P], 8[O], 5[C],
PRO140CD312[O], 1[P],
PRO140CG111[O],
GLY141O1312[P], 3[C], 1[N], 7[O],
GLY141N816[O], 2[P],
GLY141CA917[O], 2[P],
GLY141C1212[P], 7[O], 3[C],
THR142C25111[O], 3[N], 9[C], 2[P],
THR142O26110[C], 3[N], 11[O], 2[P],
THR142CA2212[P], 7[C], 2[N], 11[O],
THR142N1716[C], 9[O], 2[P],
THR142OG11612[P], 9[O], 1[N], 4[C],
THR142CB1318[O], 3[C], 2[P],
THR142CG21318[O], 3[C], 2[P],
GLY143O3512[P], 12[O], 5[N], 16[C],
GLY143CA3912[P], 19[C], 5[N], 13[O],
GLY143C3812[P], 13[O], 5[N], 18[C],
GLY143N3412[P], 16[C], 4[N], 12[O],
SER144N41118[C], 7[N], 14[O], 2[P],
SER144OG3612[P], 13[O], 6[N], 15[C],
SER144CB35115[C], 5[N], 13[O], 2[P],
SER144O31111[O], 5[N], 13[C], 2[P],
SER144C35115[C], 5[N], 13[O], 2[P],
SER144CA3812[P], 15[C], 7[N], 14[O],
ASP145N3212[P], 11[O], 5[N], 14[C],
ASP145C1612[P], 5[C], 2[N], 7[O],
ASP145CG1311[P], 3[N], 4[C], 5[O],
ASP145OD1813[C], 2[N], 2[O], 1[P],
ASP145CB2218[O], 4[N], 8[C], 2[P],
ASP145OD21111[P], 3[N], 3[C], 4[O],
ASP145O1317[O], 1[N], 3[C], 2[P],
ASP145CA24110[C], 3[N], 9[O], 2[P],
LEU146CG1516[O], 7[C], 2[N],
LEU146O111[O],
LEU146CD12011[P], 3[N], 9[C], 7[O],
LEU146N1612[P], 9[O], 1[N], 4[C],
LEU146CD21214[O], 2[N], 6[C],
LEU146CA1316[O], 4[C], 1[N], 2[P],
LEU146CB1416[C], 1[N], 6[O], 1[P],
LEU146C313[O],
ALA148CB111[O],
VAL149CB111[O],
VAL149CG1411[C], 1[N], 2[O],
SER165O311[C], 1[N], 1[O],
SER165C111[O],
LYS166CD1013[N], 5[C], 2[O],
LYS166O1312[O], 7[C], 4[N],
LYS166NZ411[O], 1[C], 2[N],
LYS166CG814[C], 2[N], 2[O],
LYS166N412[N], 1[C], 1[O],
LYS166C1614[N], 9[C], 3[O],
LYS166CB1216[C], 4[N], 2[O],
LYS166CE511[O], 2[C], 2[N],
LYS166CA1115[C], 4[N], 2[O],
ILE167O3119[O], 17[C], 4[N], 1[P],
ILE167CD134111[O], 4[N], 17[C], 2[P],
ILE167C3018[O], 4[N], 17[C], 1[P],
ILE167N2511[P], 7[O], 13[C], 4[N],
ILE167CG220110[C], 4[N], 5[O], 1[P],
ILE167CG13314[N], 16[C], 11[O], 2[P],
ILE167CB30116[C], 4[N], 9[O], 1[P],
ILE167CA2711[P], 15[C], 4[N], 7[O],
PHE168CD23612[P], 12[O], 4[N], 18[C],
PHE168CG3412[P], 11[O], 17[C], 4[N],
PHE168O3018[O], 4[N], 17[C], 1[P],
PHE168N3011[P], 8[O], 17[C], 4[N],
PHE168CE133110[O], 17[C], 4[N], 2[P],
PHE168CA3018[O], 17[C], 4[N], 1[P],
PHE168CB3111[P], 9[O], 17[C], 4[N],
PHE168CD13114[N], 17[C], 9[O], 1[P],
PHE168C3011[P], 4[N], 17[C], 8[O],
PHE168CZ3512[P], 18[C], 4[N], 11[O],
PHE168CE237112[O], 4[N], 19[C], 2[P],
ILE169CG21714[N], 11[C], 2[O],
ILE169CB2013[O], 13[C], 4[N],
ILE169O1914[N], 13[C], 2[O],
ILE169N2314[O], 15[C], 4[N],
ILE169CD124115[C], 4[N], 5[O],
ILE169CG12114[N], 14[C], 3[O],
ILE169CA2314[N], 15[C], 4[O],
ILE169C2113[O], 14[C], 4[N],
THR170O1812[O], 4[N], 12[C],
THR170C1814[N], 12[C], 2[O],
THR170OG12314[O], 15[C], 4[N],
THR170N2213[O], 4[N], 15[C],
THR170CA2114[N], 14[C], 3[O],
THR170CB21114[C], 4[N], 3[O],
THR170CG21912[O], 4[N], 13[C],
ASN171N1611[O], 11[C], 4[N],
ASN171O512[N], 2[C], 1[O],
ASN171OD1614[C], 1[N], 1[O],
ASN171C714[C], 2[N], 1[O],
ASN171ND2511[O], 2[N], 2[C],
ASN171CB711[O], 4[C], 2[N],
ASN171CG714[C], 2[N], 1[O],
ASN171CA711[O], 2[N], 4[C],
GLY172C211[C], 1[O],
GLY172N1112[N], 8[C], 1[O],
GLY172O111[O],
GLY172CA916[C], 2[N], 1[O],
TYR173N111[O],
CYS175SG111[O],
CYS175CB111[O],
ALA178C111[N],
ALA178CA211[N], 1[O],
ALA178CB211[O], 1[N],
ILE179CB411[C], 1[N], 2[O],
ILE179O713[C], 2[N], 2[O],
ILE179C512[C], 1[N], 2[O],
ILE179N512[C], 1[N], 2[O],
ILE179CA312[O], 1[N],
ILE179CG2211[N], 1[O],
VAL180O111[O],
VAL180N311[O], 1[N], 1[C],
VAL180C311[O], 1[N], 1[C],
VAL180CA311[O], 1[N], 1[C],
VAL180CG2211[N], 1[O],
VAL180CG1111[O],
VAL180CB111[O],
VAL181CG1211[C], 1[O],
VAL181CA311[C], 1[N], 1[O],
VAL181CG2411[O], 1[C], 2[N],
VAL181CB411[O], 1[C], 2[N],
VAL181C111[O],
VAL181O211[C], 1[O],
VAL181N311[C], 1[N], 1[O],
LEU196CD2111[O],
LEU212CG1018[C], 2[N],
LEU212O414[C],
LEU212N111[C],
LEU212CD117112[C], 3[N], 2[O],
LEU212CD2616[C],
LEU212C212[C],
LEU212CB918[C], 1[N],
LEU212CA313[C],
ASN213N111[C],
ASN213O313[C],
ASN213C212[C],
LYS214CD1212[N], 10[C],
LYS214CE911[N], 8[C],
LYS214CG918[C], 1[N],
LYS214CB818[C],
LYS214N414[C],
LYS214C414[C],
LYS214O111[C],
LYS214CA515[C],
LYS214NZ1219[C], 2[N], 1[O],
ILE215CD1212[C],
ILE215C212[C],
ILE215CG1212[C],
ILE215N414[C],
ILE215CA212[C],
ILE215CB212[C],
GLY216C515[C],
GLY216N414[C],
GLY216CA313[C],
GLY216O515[C],
MET217N515[C],
MET217CG911[N], 8[C],
MET217O515[C],
MET217SD14111[C], 2[N], 1[O],
MET217CB911[N], 8[C],
MET217CA515[C],
MET217C313[C],
MET217CE1411[O], 2[N], 11[C],
LYS218CA111[C],
LYS218N111[C],
GLN220N313[C],
GLN220CB911[O], 7[C], 1[N],
GLN220CD1119[C], 1[N], 1[O],
GLN220CG12110[C], 1[N], 1[O],
GLN220CA514[C], 1[N],
GLN220OE11511[O], 3[N], 11[C],
GLN220C514[C], 1[N],
GLN220NE2811[O], 1[N], 6[C],
GLN220O611[N], 5[C],
ASP221O1012[N], 7[C], 1[O],
ASP221C1018[C], 1[N], 1[O],
ASP221N611[N], 4[C], 1[O],
ASP221CA511[N], 4[C],
THR222O1211[O], 1[N], 10[C],
THR222OG118113[C], 4[N], 1[O],
THR222C16111[C], 4[N], 1[O],
THR222CB1911[O], 4[N], 14[C],
THR222CG223115[C], 4[N], 4[O],
THR222CA1811[O], 4[N], 13[C],
THR222N1411[O], 2[N], 11[C],
CYS223O1914[N], 13[C], 2[O],
CYS223CA14110[C], 3[N], 1[O],
CYS223CB611[O], 1[N], 4[C],
CYS223C18112[C], 4[N], 2[O],
CYS223N1814[N], 13[C], 1[O],
GLU224CG111[N],
GLU224CA1011[O], 4[N], 5[C],
GLU224N1111[O], 4[N], 6[C],
LEU225CG812[O], 4[C], 2[N],
LEU225N211[N], 1[C],
LEU225CB311[C], 1[N], 1[O],
LEU225CD2311[C], 1[N], 1[O],
LEU225CD1814[C], 2[N], 2[O],
LEU248CD1211[O], 1[C],
LEU248CG211[C], 1[O],
LEU248CB111[O],
LEU248CD2412[N], 1[C], 1[O],
LEU252CD21518[C], 3[N], 4[O],
LEU252CD1513[O], 1[N], 1[C],
LEU252CG613[O], 1[C], 2[N],
GLU255OE11614[N], 8[C], 4[O],
GLU255CB713[C], 1[N], 3[O],
GLU255OE22415[O], 4[N], 15[C],
GLU255CG1618[C], 4[N], 4[O],
GLU255CD20112[C], 4[N], 4[O],
ARG256NE311[C], 2[O],
ARG256CG212[O],
ARG256CZ212[O],
VAL259CB111[O],
VAL259CG21512[O], 2[N], 11[C],
VAL259CG1111[O],
LYS333NZ1318[C], 5[O],
LYS333CD312[O], 1[C],
LYS333CE614[C], 2[O],
TYR334CE1412[O], 2[C],
TYR334CZ212[O],
TYR334CD1312[O], 1[C],
ILE367O212[C],
ASP368CB111[C],
ASP368OD1111[C],
ASP368O515[C],
ASP368C313[C],
ASP368CG111[C],
ASP368CA111[C],
HIS369O212[C],
HIS369C212[C],
HIS369N111[C],
ARG370O712[O], 5[C],
ARG370CB111[C],
ARG370C515[C],
ARG370CA212[C],
ARG370N212[C],
ALA371CA1712[N], 13[C], 2[O],
ALA371O23115[C], 2[N], 6[O],
ALA371C18113[C], 2[N], 3[O],
ALA371N918[C], 1[O],
ALA371CB18114[C], 2[N], 2[O],
ASN372C1513[O], 12[C],
ASN372CB515[C],
ASN372CG515[C],
ASN372OD1717[C],
ASN372N1312[O], 11[C],
ASN372O1513[O], 12[C],
ASN372CA12110[C], 2[O],
ASN372ND2313[C],
ARG373C24115[C], 8[O], 1[P],
ARG373CD111[O],
ARG373CZ111[O],
ARG373NE111[O],
ARG373CB712[O], 5[C],
ARG373CG111[O],
ARG373CA1415[O], 9[C],
ARG373O2612[P], 13[C], 1[N], 10[O],
ARG373N1414[O], 10[C],
ILE374O4412[P], 14[O], 5[N], 23[C],
ILE374CD13212[P], 11[O], 1[N], 18[C],
ILE374CG24012[P], 13[O], 4[N], 21[C],
ILE374N3012[N], 18[C], 9[O], 1[P],
ILE374CB38120[C], 3[N], 13[O], 2[P],
ILE374CA37112[O], 3[N], 20[C], 2[P],
ILE374C3712[P], 21[C], 3[N], 11[O],
ILE374CG13412[P], 18[C], 1[N], 13[O],
TYR375C3011[P], 17[C], 4[N], 8[O],
TYR375CZ2213[O], 4[N], 15[C],
TYR375O29117[C], 4[N], 7[O], 1[P],
TYR375CA3411[P], 11[O], 4[N], 18[C],
TYR375CG2817[O], 4[N], 17[C],
TYR375N3712[P], 19[C], 4[N], 12[O],
TYR375CE12314[O], 15[C], 4[N],
TYR375CD22817[O], 17[C], 4[N],
TYR375CB3119[O], 17[C], 4[N], 1[P],
TYR375CE22414[O], 4[N], 16[C],
TYR375CD126117[C], 4[N], 5[O],
ALA376N29117[C], 4[N], 7[O], 1[P],
ALA376C2811[P], 7[O], 4[N], 16[C],
ALA376O2115[O], 4[N], 12[C],
ALA376CA2716[O], 4[N], 17[C],
ALA376CB25116[C], 4[N], 5[O],
GLY377C3612[P], 18[C], 4[N], 12[O],
GLY377CA3612[P], 12[O], 4[N], 18[C],
GLY377O2612[P], 12[C], 2[N], 10[O],
GLY377N3412[P], 17[C], 4[N], 11[O],
THR378CB3712[P], 17[C], 5[N], 13[O],
THR378N4012[P], 13[O], 5[N], 20[C],
THR378C3112[P], 14[C], 4[N], 11[O],
THR378OG13512[P], 13[O], 5[N], 15[C],
THR378O3112[P], 14[C], 5[N], 10[O],
THR378CA39113[O], 5[N], 19[C], 2[P],
THR378CG24012[P], 13[O], 6[N], 19[C],
ASN379C21111[C], 5[N], 5[O],
ASN379O1518[C], 5[N], 2[O],
ASN379ND2212[O],
ASN379CA17110[C], 3[N], 4[O],
ASN379CG412[O], 2[C],
ASN379N3012[P], 14[C], 4[N], 10[O],
ASN379CB815[C], 1[N], 2[O],
ASN379OD1713[O], 4[C],
GLU380OE13112[P], 13[C], 5[N], 11[O],
GLU380C2411[P], 6[O], 5[N], 12[C],
GLU380O1814[O], 5[N], 9[C],
GLU380OE22215[O], 5[N], 11[C], 1[P],
GLU380CD2711[P], 12[C], 5[N], 9[O],
GLU380N2618[O], 5[N], 12[C], 1[P],
GLU380CA2416[O], 5[N], 12[C], 1[P],
GLU380CG2316[O], 5[N], 11[C], 1[P],
GLU380CB27112[C], 5[N], 9[O], 1[P],
ILE381CG134114[C], 5[N], 13[O], 2[P],
ILE381CD13512[P], 15[C], 5[N], 13[O],
ILE381C18110[C], 5[N], 3[O],
ILE381N2618[O], 5[N], 12[C], 1[P],
ILE381CA26112[C], 5[N], 8[O], 1[P],
ILE381CG224111[C], 5[N], 7[O], 1[P],
ILE381CB3012[P], 9[O], 5[N], 14[C],
ILE381O1211[O], 5[N], 6[C],
MET382C211[C], 1[N],
MET382CE412[C], 2[O],
MET382CG111[O],
MET382SD111[O],
MET382CA111[O],
MET382N1813[O], 5[N], 10[C],
LYS383CE211[C], 1[O],
LYS383C713[N], 4[C],
LYS383NZ311[C], 1[N], 1[O],
LYS383CB811[O], 3[N], 4[C],
LYS383CA412[N], 2[C],
LYS383CD412[N], 1[C], 1[O],
LYS383CG411[O], 1[C], 2[N],
LYS383O312[C], 1[N],
LYS383N915[C], 3[N], 1[O],
GLU384CD1311[O], 5[N], 7[C],
GLU384CA914[C], 5[N],
GLU384CG1015[C], 5[N],
GLU384CB1317[C], 5[N], 1[O],
GLU384C512[N], 3[C],
GLU384OE21015[C], 5[N],
GLU384O311[C], 2[N],
GLU384N1115[C], 5[N], 1[O],
GLU384OE11714[O], 5[N], 8[C],
LEU385N311[C], 2[N],
Total = 440



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