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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FAD_A_10(2V3A) / Model_1(2V3A/A) = [12.8] Download732.8538.58MHPIVIIGSGMAGYTLAREFRKLNPEQELVMICADDAVNYAKPTLSNAFAGKKAPEQIPLGDAAKMSAQLNMRIEPFTWVKEILAERHELVLEKDGIISQQPYSKLILAVGANPIRLAIAGDGSDDIHVVNSLIDYRSFRENLAQRKDKRVVILGAGLIGCEFANDLLHSEYDVTVIDLAPQPLGRLLPSHIASAFQQNLEEAGVKFTLGTTVEKVSKINNGEDYAVTLANGQTLVADIVLSAIGLQPNISLAQSANIQTSRGVITNSLLETNQADIYAIGDCAEVNGTLLPYVMPIMQQARALAKTLSGQQTNVHYPAMPVAVKTPAAPLTVLPAPVDVDVNWETEEFDDGMLAKAIDNEGTLRGFVLLGATAGKQRLTLTKLVPDLIPAQA
Consensus
[pKd Mean = 12.80]		-732
(s=0)		38
(s=0)		MHPIVIIGSGMAGYTLAREFRKLNPEQELVMICADDAVNYAKPTLSNAFAGKKAPEQIPLGDAAKMSAQLNMRIEPFTWVKEILAERHELVLEKDGIISQQPYSKLILAVGANPIRLAIAGDGSDDIHVVNSLIDYRSFRENLAQRKDKRVVILGAGLIGCEFANDLLHSEYDVTVIDLAPQPLGRLLPSHIASAFQQNLEEAGVKFTLGTTVEKVSKINNGEDYAVTLANGQTLVADIVLSAIGLQPNISLAQSANIQTSRGVITNSLLETNQADIYAIGDCAEVNGTLLPYVMPIMQQARALAKTLSGQQTNVHYPAMPVAVKTPAAPLTVLPAPVDVDVNWETEEFDDGMLAKAIDNEGTLRGFVLLGATAGKQRLTLTKLVPDLIPAQA



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]
ILE6C311[N], 1[O], 1[C],
ILE6O513[C], 1[O], 1[N],
ILE7CB1515[N], 2[O], 8[C],
ILE7O23110[C], 1[P], 7[O], 5[N],
ILE7N915[C], 3[N], 1[O],
ILE7CD1914[C], 5[N],
ILE7CA18110[C], 5[N], 3[O],
ILE7CG11216[C], 5[N], 1[O],
ILE7C20110[C], 5[N], 5[O],
ILE7CG218110[C], 3[O], 5[N],
GLY8C2119[C], 2[N], 8[O], 2[P],
GLY8N2015[O], 5[N], 10[C],
GLY8CA2514[N], 2[P], 9[O], 10[C],
GLY8O1712[N], 6[O], 2[P], 7[C],
SER9OG1412[N], 6[O], 6[C],
SER9C1815[C], 1[N], 10[O], 2[P],
SER9N2119[C], 8[O], 2[N], 2[P],
SER9CA1716[C], 2[N], 2[P], 7[O],
SER9O1615[C], 2[P], 9[O],
SER9CB1312[N], 6[O], 5[C],
GLY10N2016[C], 11[O], 1[N], 2[P],
GLY10C1816[C], 2[P], 10[O],
GLY10O1715[C], 2[P], 10[O],
GLY10CA2012[P], 11[O], 7[C],
MET11N2017[C], 11[O], 2[P],
MET11C1314[C], 7[O], 2[P],
MET11CE614[O], 2[C],
MET11SD1015[O], 1[P], 4[C],
MET11CG1715[C], 9[O], 1[N], 2[P],
MET11O912[C], 6[O], 1[P],
MET11CA17110[O], 2[P], 5[C],
MET11CB1512[P], 9[O], 4[C],
ALA12CB1712[P], 10[O], 5[C],
ALA12O411[P], 3[O],
ALA12CA1317[O], 2[P], 4[C],
ALA12N1612[P], 9[O], 5[C],
ALA12C1112[P], 6[O], 3[C],
GLY13CA1012[C], 1[P], 7[O],
GLY13C211[O], 1[P],
GLY13O111[O],
GLY13N1414[C], 2[P], 8[O],
TYR14N311[P], 2[O],
TYR14CD2111[O],
TYR14CZ111[O],
TYR14CE2111[O],
TYR14CB111[O],
TYR14CA111[O],
THR15OG1111[O],
THR15N111[O],
MET31C211[N], 1[C],
ILE32CG1312[N], 1[C],
ILE32CD1312[N], 1[C],
ILE32CB915[C], 4[N],
ILE32C1715[N], 3[O], 9[C],
ILE32N513[C], 2[N],
ILE32CA1115[C], 3[O], 3[N],
ILE32CG2915[C], 4[N],
ILE32O1813[O], 5[N], 10[C],
CYS33O1618[C], 5[N], 3[O],
CYS33C1719[C], 3[O], 5[N],
CYS33N1715[N], 3[O], 9[C],
CYS33CA1813[O], 5[N], 10[C],
CYS33SG1116[C], 2[N], 3[O],
CYS33CB18110[C], 4[N], 4[O],
ALA34CB1715[N], 3[O], 9[C],
ALA34O1418[C], 2[O], 4[N],
ALA34C1719[C], 3[O], 5[N],
ALA34N18110[C], 3[O], 5[N],
ALA34CA1713[O], 5[N], 9[C],
ASP35O712[O], 1[N], 4[C],
ASP35CA1217[C], 3[O], 2[N],
ASP35N1619[C], 4[N], 3[O],
ASP35C613[C], 1[N], 2[O],
ASP35OD11317[C], 2[N], 4[O],
ASP35CG1517[C], 2[N], 5[O], 1[P],
ASP35CB1213[O], 2[N], 7[C],
ASP35OD21617[C], 6[O], 2[N], 1[P],
ASP36N412[O], 2[C],
ASP36C212[O],
ASP36CA111[O],
ALA37C111[O],
ALA37O111[O],
ALA37N412[C], 2[O],
ALA37CB111[O],
ALA37CA311[C], 2[O],
VAL38N111[O],
VAL38O111[O],
TYR40O313[O],
TYR40CE2811[P], 6[O], 1[C],
TYR40CZ811[P], 6[O], 1[C],
TYR40CE1611[P], 4[O], 1[C],
TYR40CD1212[O],
TYR40C111[O],
TYR40CD2212[O],
TYR40CG111[O],
ALA41CB212[O],
ALA41C1318[C], 3[O], 2[N],
ALA41O14110[C], 2[O], 2[N],
ALA41CA212[O],
ALA41N111[O],
LYS42N2213[N], 4[O], 15[C],
LYS42CG28115[C], 3[N], 2[P], 8[O],
LYS42C2615[O], 4[N], 17[C],
LYS42CB29115[C], 3[N], 2[P], 9[O],
LYS42CA25116[C], 3[N], 1[P], 5[O],
LYS42NZ3011[N], 12[O], 2[P], 15[C],
LYS42CD31110[O], 3[N], 2[P], 16[C],
LYS42O2314[N], 3[O], 16[C],
LYS42CE3012[P], 1[N], 11[O], 16[C],
PRO43O20114[C], 2[O], 4[N],
PRO43CB2515[O], 4[N], 16[C],
PRO43C22114[C], 4[O], 4[N],
PRO43CA2514[N], 5[O], 16[C],
PRO43N2716[O], 4[N], 17[C],
PRO43CG2714[N], 6[O], 17[C],
PRO43CD2814[N], 7[O], 17[C],
THR44CA1118[C], 2[O], 1[N],
THR44O514[C], 1[N],
THR44CB211[N], 1[C],
THR44N19113[C], 2[O], 4[N],
THR44CG2111[O],
THR44C911[O], 1[N], 7[C],
LEU45C711[N], 6[C],
LEU45O414[C],
LEU45CD2515[C],
LEU45N1111[N], 1[O], 9[C],
LEU45CA918[C], 1[N],
LEU45CD1918[C], 1[O],
LEU45CB1018[C], 1[O], 1[N],
LEU45CG911[O], 8[C],
SER46O413[C], 1[N],
SER46C514[C], 1[N],
SER46CA918[C], 1[N],
SER46OG14111[C], 1[O], 2[N],
SER46N1111[O], 1[N], 9[C],
SER46CB1211[N], 1[O], 10[C],
ASN47CG311[C], 1[O], 1[N],
ASN47OD1311[N], 1[O], 1[C],
ASN47N313[C],
ASN47ND2611[N], 1[O], 4[C],
GLU75O411[C], 2[N], 1[O],
GLU75C211[N], 1[C],
PRO76C111[C],
PHE77C311[C], 2[N],
PHE77N311[O], 1[N], 1[C],
PHE77CA311[C], 1[O], 1[N],
PHE77O111[C],
THR78OG1111[C],
THR78CA713[N], 4[C],
THR78N712[N], 1[O], 4[C],
THR78O1415[N], 2[O], 7[C],
THR78CB412[C], 2[N],
THR78CG2412[N], 2[C],
THR78C1111[O], 5[N], 5[C],
TRP79CB1015[N], 5[C],
TRP79CE21216[C], 1[O], 5[N],
TRP79NE1914[C], 4[N], 1[O],
TRP79CE31412[O], 5[N], 7[C],
TRP79CA1015[C], 5[N],
TRP79CD1714[C], 3[N],
TRP79CZ21311[O], 5[N], 7[C],
TRP79N915[N], 4[C],
TRP79CD21315[N], 1[O], 7[C],
TRP79CG1015[C], 5[N],
TRP79C914[C], 5[N],
TRP79O714[C], 3[N],
TRP79CZ31515[N], 2[O], 8[C],
VAL80O1015[C], 5[N],
VAL80CG21015[N], 5[C],
VAL80CB1015[N], 5[C],
VAL80N1116[C], 5[N],
VAL80C814[C], 4[N],
VAL80CG1814[C], 4[N],
VAL80CA915[N], 4[C],
LYS81C311[C], 2[N],
LYS81CB312[N], 1[C],
LYS81O111[N],
LYS81N512[N], 3[C],
LYS81CG312[N], 1[C],
LYS81CA412[N], 2[C],
GLU82CA111[N],
GLU82N312[N], 1[C],
VAL91O412[C], 2[N],
LEU92CD2111[N],
LEU92CG211[C], 1[N],
LEU92CB111[N],
LEU92CD1211[C], 1[N],
LEU108O111[O],
LEU108C412[C], 2[O],
ALA109N1215[C], 1[N], 1[P], 5[O],
ALA109CA1611[N], 7[O], 2[P], 6[C],
ALA109CB1414[C], 2[P], 1[N], 7[O],
ALA109O2419[C], 10[O], 3[N], 2[P],
ALA109C2419[C], 10[O], 3[N], 2[P],
VAL110CA27110[C], 5[N], 2[P], 10[O],
VAL110C2812[P], 5[N], 10[O], 11[C],
VAL110O27110[O], 5[N], 2[P], 10[C],
VAL110CB25110[C], 5[N], 2[P], 8[O],
VAL110CG11914[O], 5[N], 10[C],
VAL110N2715[N], 2[P], 10[O], 10[C],
VAL110CG22015[N], 5[O], 10[C],
GLY111C1912[N], 2[P], 8[O], 7[C],
GLY111CA2612[N], 11[O], 2[P], 11[C],
GLY111N2419[C], 10[O], 3[N], 2[P],
GLY111O1512[P], 2[N], 6[O], 5[C],
ALA112O1211[N], 1[P], 5[O], 5[C],
ALA112N2219[C], 2[P], 2[N], 9[O],
ALA112CB912[P], 4[O], 3[C],
ALA112C611[P], 3[O], 2[C],
ALA112CA1013[C], 5[O], 2[P],
ASN113N111[O],
ASN113OD1712[N], 1[O], 4[C],
ASN113CA111[O],
ASN113ND2211[C], 1[N],
ASN113CG211[N], 1[C],
VAL130C515[C],
VAL130CB414[C],
VAL130CG2111[C],
VAL130N212[C],
VAL130CA212[C],
VAL130O616[C],
VAL130CG1414[C],
ASN131CA815[C], 2[O], 1[P],
ASN131N414[C],
ASN131CB711[P], 1[O], 5[C],
ASN131OD118112[C], 1[P], 5[O],
ASN131ND21015[C], 1[P], 4[O],
ASN131CG1011[P], 4[O], 5[C],
ASN131O20112[C], 1[P], 7[O],
ASN131C915[C], 1[P], 3[O],
SER132CB1115[O], 1[P], 5[C],
SER132OG811[P], 5[O], 2[C],
SER132O111[C],
SER132C211[O], 1[C],
SER132CA612[C], 3[O], 1[P],
SER132N613[C], 1[P], 2[O],
LEU133N111[O],
ILE134CD1111[O],
TYR136CD1111[C],
TYR136CE1111[C],
LEU158C817[C], 1[N],
LEU158CG17112[C], 4[N], 1[O],
LEU158CB1018[C], 2[N],
LEU158CD11712[O], 4[N], 11[C],
LEU158CD220114[C], 2[O], 4[N],
LEU158O716[C], 1[N],
LEU158CA313[C],
ILE159CA1012[N], 8[C],
ILE159C717[C],
ILE159O717[C],
ILE159CD11813[N], 2[O], 13[C],
ILE159CG116112[C], 3[N], 1[O],
ILE159CB1112[N], 9[C],
ILE159N1012[N], 8[C],
ILE159CG21012[N], 8[C],
GLY160N414[C],
GLU162OE11811[O], 4[N], 13[C],
GLU162CG1211[O], 1[N], 10[C],
GLU162O111[C],
GLU162C313[C],
GLU162CB911[O], 1[N], 7[C],
GLU162CA411[N], 3[C],
GLU162CD1711[O], 4[N], 12[C],
GLU162OE216111[C], 4[N], 1[O],
GLU162N313[C],
PHE163CE2818[C],
PHE163CE1616[C],
PHE163CD1515[C],
PHE163CD2515[C],
PHE163CG515[C],
PHE163CA111[C],
PHE163CZ818[C],
PHE163N313[C],
PHE163CB212[C],
ALA243CB111[C],
LEU246CD118113[C], 1[N], 4[O],
LEU246CG717[C],
LEU246CD2514[C], 1[O],
LEU246CB313[C],
ASN249CB813[N], 1[O], 4[C],
ASN249CG714[C], 3[N],
ASN249ND21115[C], 5[N], 1[O],
ASN249OD1512[N], 3[C],
ASN249CA211[N], 1[C],
LEU252CG512[C], 3[N],
LEU252CB211[N], 1[C],
LEU252CD1815[C], 3[N],
LEU252CD2211[C], 1[N],
ILE280CG1311[P], 2[O],
ILE280C611[C], 4[O], 1[P],
ILE280CA311[P], 2[O],
ILE280N111[O],
ILE280CB111[O],
ILE280CD1212[O],
ILE280O912[C], 5[O], 2[P],
GLY281O913[C], 1[P], 5[O],
GLY281C1217[O], 2[P], 3[C],
GLY281CA1116[O], 2[P], 3[C],
GLY281N811[P], 5[O], 2[C],
ASP282C1212[P], 6[O], 4[C],
ASP282CA1719[O], 2[P], 6[C],
ASP282OD225111[C], 2[P], 2[N], 10[O],
ASP282OD123111[O], 2[N], 2[P], 8[C],
ASP282O611[P], 4[O], 1[C],
ASP282CB18110[O], 2[P], 6[C],
ASP282CG2512[N], 10[O], 2[P], 11[C],
ASP282N1716[C], 2[P], 9[O],
CYS283C111[O],
CYS283SG411[C], 2[O], 1[P],
CYS283CB614[O], 1[P], 1[C],
CYS283N1112[P], 7[O], 2[C],
CYS283CA311[P], 2[O],
ALA284N111[O],
ALA284CB111[O],
ALA284CA111[O],
LEU291O1011[N], 4[O], 5[C],
LEU291C615[C], 1[O],
LEU291CB111[O],
LEU291CA111[O],
LEU291N111[O],
PRO292N812[N], 1[O], 5[C],
PRO292CG916[C], 1[O], 2[N],
PRO292O26116[C], 4[N], 6[O],
PRO292CD311[O], 2[C],
PRO292CA1719[C], 6[O], 2[N],
PRO292CB1212[O], 2[N], 8[C],
PRO292C2316[O], 4[N], 13[C],
TYR293CD21213[N], 2[O], 7[C],
TYR293CZ311[O], 1[N], 1[C],
TYR293CE2412[O], 1[N], 1[C],
TYR293CB2115[O], 4[N], 12[C],
TYR293CE1511[O], 2[N], 2[C],
TYR293CG1614[O], 3[N], 9[C],
TYR293CA22112[C], 4[N], 6[O],
TYR293C23111[C], 4[N], 1[P], 7[O],
TYR293N2214[N], 6[O], 12[C],
TYR293CD11216[C], 3[O], 3[N],
TYR293O2016[O], 1[P], 3[N], 10[C],
VAL294CA19110[C], 3[N], 6[O],
VAL294CB2016[O], 4[N], 10[C],
VAL294CG11719[C], 5[O], 3[N],
VAL294N2216[O], 4[N], 12[C],
VAL294C1518[C], 3[N], 4[O],
VAL294CG22316[O], 1[P], 4[N], 12[C],
VAL294O1015[C], 3[O], 2[N],
MET295CG311[O], 1[N], 1[C],
MET295C111[O],
MET295SD111[O],
MET295CB411[O], 2[N], 1[C],
MET295CA412[N], 1[O], 1[C],
MET295O111[O],
MET295N1016[C], 2[O], 2[N],
PRO296CD412[O], 1[N], 1[C],
PRO296CG212[O],
PRO296N312[O], 1[C],
ILE297CB1211[P], 7[O], 4[C],
ILE297CG11515[C], 1[N], 1[P], 8[O],
ILE297CD12017[C], 2[P], 2[N], 9[O],
ILE297CA814[O], 1[P], 3[C],
ILE297C111[O],
ILE297N512[C], 3[O],
ILE297CG21114[C], 6[O], 1[P],
ILE297O111[O],
GLN300OE1111[O],
PRO321O311[C], 1[N], 1[O],
PRO321C111[O],
VAL322CB612[C], 2[O], 2[N],
VAL322CG11014[N], 2[O], 4[C],
VAL322C511[N], 2[O], 2[C],
VAL322CA612[C], 2[O], 2[N],
VAL322CG2412[N], 1[O], 1[C],
VAL322N211[O], 1[N],
ALA323CA611[N], 2[O], 3[C],
ALA323C914[C], 2[O], 3[N],
ALA323O1317[C], 2[O], 4[N],
ALA323N712[N], 2[O], 3[C],
ALA323CB613[C], 2[O], 1[N],
VAL324CA511[O], 2[N], 2[C],
VAL324CB211[C], 1[O],
VAL324O111[O],
VAL324C512[N], 1[O], 2[C],
VAL324CG2211[C], 1[O],
VAL324N512[N], 1[O], 2[C],
VAL324CG1111[O],
LYS325CG1218[C], 1[O], 3[N],
LYS325CE16111[C], 1[O], 4[N],
LYS325CD1318[C], 4[N], 1[O],
LYS325N711[O], 2[N], 4[C],
LYS325NZ21114[C], 3[O], 4[N],
LYS325CB711[O], 2[N], 4[C],
LYS325C111[O],
LYS325CA511[N], 1[O], 3[C],
LYS325O111[O],
Total = 393



Download csv file of statistical distribution of contacts