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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAD_A_5(1PSD) / Model_1(1PSD/A) = [10.2] Download1419.7826.57MSQHLSLPKDKIRFLLLEGVHQNAVDTLNAAGYTNIDYRKTALEGEALKEAIKDAHFIGIRSRTQLTEEVFEAANKLIAVGCFCIGTNQVDLKAAMARGIPVFNAPYSNTRSVAELVLAETILLLRRVPEKSAACHRGGWDKSAVGSFETRGKTLGIVGYGSIGSQLSVLAESMGMNVIYYDAVTKLPMGNARQVGSLDELLATADVVTLHIPDVPSTRNFFTKEQFAKMKEGAIFLNAARGTCVVIEDLADAIKSGHLAGAAVDVFPKEPKANGEEFQSPLRGLDNVILTPHVGGSTMEAQANIGLEVAEKFVAYSDKGMTLSAVNFPEIALPLTAGQHRLLHIHKNVPGVLSKINNLFAEQGINISGQSLMTKGDIGYLVMDVDASASQEALDMLHEVEGTIRVRVLF
Complex: NAI_G_7(2P9C) / Model_25(2P9C/B) = [10.2] Download1361.0323.97MSQHLSLPKDKIRFLLLEGVHQNAVDTLNAAGYTNIDYRKTALEGEALKEAIKDAHFIGIRSRTQLTEEVFEAANKLIAVGCFCIGTNQVDLKAAMARGIPVFNAPYSNTRSVAELVLAETILLLRRVPEKSAACHRGGWDKSAVGSFETRGKTLGIVGYGSIGSQLSVLAESMGMNVIYYDAVTKLPMGNARQVGSLDELLATADVVTLHIPDVPSTRNFFTKEQFAKMKEGAIFLNAARGTCVVIEDLADAIKSGHLAGAAVDVFPKEPKANGEEFQSPLRGLDNVILTPHVGGSTMEAQANIGLEVAEKFVAYSDKGMTLSAVNFPEIALPLTAGQHRLLHIHKNVPGVLSKINNLFAEQGINISGQSLMTKGDIGYLVMDVDASASQEALDMLHEVEGTIRVRVLF
Consensus
[pKd Mean = 10.20]		-1390
(s=29)		25
(s=1)		MSQHLSLPKDKIRFLLLEGVHQNAVDTLNAAGYTNIDYRKTALEGEALKEAIKDAHFIGIRSRTQLTEEVFEAANKLIAVGCFCIGTNQVDLKAAMARGIPVFNAPYSNTRSVAELVLAETILLLRRVPEKSAACHRGGWDKSAVGSFETRGKTLGIVGYGSIGSQLSVLAESMGMNVIYYDAVTKLPMGNARQVGSLDELLATADVVTLHIPDVPSTRNFFTKEQFAKMKEGAIFLNAARGTCVVIEDLADAIKSGHLAGAAVDVFPKEPKANGEEFQSPLRGLDNVILTPHVGGSTMEAQANIGLEVAEKFVAYSDKGMTLSAVNFPEIALPLTAGQHRLLHIHKNVPGVLSKINNLFAEQGINISGQSLMTKGDIGYLVMDVDASASQEALDMLHEVEGTIRVRVLF



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]
ILE85CG12922[N], 10[O], 17[C],
ILE85CB1922[N], 3[O], 14[C],
ILE85N323[C],
ILE85C121[O],
ILE85CD142215[O], 3[N], 22[C], 2[P],
ILE85CA621[O], 5[C],
ILE85CG22222[N], 6[O], 14[C],
GLY86CA121[O],
GLY86N121[O],
ALA105O222[C],
PRO106CB121[O],
PRO106O2823[P], 12[C], 1[N], 12[O],
PRO106C1023[C], 1[P], 6[O],
PRO106CA422[C], 2[O],
TYR107CE234217[O], 13[C], 4[P],
TYR107CB15211[O], 4[P],
TYR107CA1428[O], 2[P], 4[C],
TYR107CE11524[P], 11[O],
TYR107CZ23214[O], 5[C], 4[P],
TYR107CD232216[O], 12[C], 4[P],
TYR107O421[C], 1[P], 2[O],
TYR107N722[C], 1[P], 4[O],
TYR107CD11424[P], 10[O],
TYR107C621[P], 3[C], 2[O],
TYR107CG1724[P], 13[O],
SER108CA222[C],
SER108O121[C],
SER108C323[C],
SER108OG121[C],
SER108N624[C], 2[O],
ASN109ND23129[O], 4[N], 2[P], 16[C],
ASN109CA828[C],
ASN109N822[O], 6[C],
ASN109CG21214[C], 3[O], 4[N],
ASN109OD118212[C], 2[O], 4[N],
ASN109O1823[N], 3[O], 12[C],
ASN109CB14210[C], 2[O], 2[N],
ASN109C1523[O], 2[N], 10[C],
THR110CA1626[O], 1[N], 2[P], 7[C],
THR110OG1624[O], 2[P],
THR110C825[C], 3[O],
THR110N1521[N], 5[O], 2[P], 7[C],
THR110CB1722[P], 7[C], 8[O],
THR110O926[C], 3[O],
THR110CG22624[P], 8[C], 12[O], 2[N],
ARG111N121[C],
SER112O421[O], 1[N], 2[C],
SER112CA121[C],
SER112C1027[C], 2[O], 1[N],
SER112CB722[O], 5[C],
VAL113O322[N], 1[C],
VAL113N17212[C], 2[O], 3[N],
VAL113CG133220[C], 1[P], 4[N], 8[O],
VAL113CB3221[P], 19[C], 4[N], 8[O],
VAL113C1028[C], 2[N],
VAL113CA2024[O], 4[N], 12[C],
VAL113CG235220[C], 1[P], 4[N], 10[O],
LEU116CB121[N],
LEU116CD2722[O], 2[N], 3[C],
LEU116CG222[N],
ILE157C422[C], 2[N],
ILE157O422[N], 2[C],
VAL158CG2723[C], 4[N],
VAL158O39224[C], 6[O], 9[N],
VAL158CB1829[C], 7[N], 2[O],
VAL158N623[N], 3[C],
VAL158CA1922[O], 6[N], 11[C],
VAL158CG124210[N], 2[O], 12[C],
VAL158C34220[C], 5[O], 9[N],
GLY159N38220[C], 8[O], 10[N],
GLY159O4724[P], 21[C], 4[N], 18[O],
GLY159CA50210[N], 14[O], 3[P], 23[C],
GLY159C5124[P], 22[C], 8[N], 17[O],
TYR160O33210[C], 4[P], 3[N], 16[O],
TYR160N4427[N], 15[O], 20[C], 2[P],
TYR160CD1222[O],
TYR160CD2222[O],
TYR160CA32213[C], 2[P], 4[N], 13[O],
TYR160CB23211[C], 4[N], 8[O],
TYR160C38214[C], 4[P], 16[O], 4[N],
TYR160CG624[C], 2[O],
GLY161O30218[O], 4[P], 8[C],
GLY161CA40220[O], 2[N], 4[P], 14[C],
GLY161N43220[O], 4[N], 15[C], 4[P],
GLY161C3724[P], 13[C], 20[O],
SER162CA2824[P], 8[C], 16[O],
SER162N36213[C], 4[P], 19[O],
SER162C2624[P], 7[C], 15[O],
SER162CB2824[P], 8[C], 16[O],
SER162O18212[O], 4[P], 2[C],
SER162OG2727[C], 4[P], 16[O],
ILE163CA29210[C], 4[P], 14[O], 1[N],
ILE163CD15324[N], 21[O], 24[C], 4[P],
ILE163N33217[O], 12[C], 4[P],
ILE163CG148223[C], 4[P], 2[N], 19[O],
ILE163CB43222[C], 4[P], 15[O], 2[N],
ILE163O1026[O], 2[C], 2[P],
ILE163C24214[O], 4[P], 6[C],
ILE163CG238212[O], 3[N], 3[P], 20[C],
GLY164N30218[O], 4[P], 8[C],
GLY164C323[O],
GLY164CA21212[O], 3[P], 6[C],
GLY164O222[O],
SER165CA222[O],
SER165N822[P], 6[O],
SER165OG626[O],
SER165CB222[O],
GLN166N222[O],
GLN166CB121[O],
TYR180C121[C],
TYR181N523[N], 2[C],
TYR181CB924[N], 5[C],
TYR181CA824[C], 4[N],
TYR181CZ1426[N], 8[C],
TYR181C25213[C], 6[N], 6[O],
TYR181O34210[N], 6[O], 18[C],
TYR181CD21327[N], 6[C],
TYR181CE11327[N], 6[C],
TYR181CD11326[N], 7[C],
TYR181CE21427[C], 7[N],
TYR181CG1228[C], 4[N],
ASP182N32218[C], 6[O], 8[N],
ASP182OD140220[C], 1[P], 9[O], 10[N],
ASP182CB34220[C], 8[N], 6[O],
ASP182OD241211[O], 8[N], 2[P], 20[C],
ASP182C34218[C], 10[N], 6[O],
ASP182O27214[C], 10[N], 3[O],
ASP182CA34218[C], 10[N], 6[O],
ASP182CG38220[C], 8[O], 10[N],
ALA183N3426[O], 10[N], 18[C],
ALA183O2328[N], 2[O], 13[C],
ALA183C31216[C], 5[O], 10[N],
ALA183CB33217[C], 6[O], 10[N],
ALA183CA33217[C], 10[N], 6[O],
VAL184CG11024[O], 6[C],
VAL184C1628[C], 4[O], 4[N],
VAL184O1824[N], 4[O], 10[C],
VAL184CA2325[N], 4[O], 14[C],
VAL184N3426[O], 10[N], 18[C],
VAL184CB2726[N], 6[O], 15[C],
VAL184CG227215[C], 6[O], 6[N],
THR185CA121[O],
THR185O222[O],
THR185N323[O],
THR185C222[O],
LYS186CG1224[O], 8[C],
LYS186CA222[O],
LYS186CD19210[C], 2[N], 7[O],
LYS186NZ3224[N], 11[O], 15[C], 2[P],
LYS186CB524[O], 1[C],
LYS186N222[O],
LYS186CE2824[N], 10[O], 13[C], 1[P],
LEU198CG724[N], 3[C],
LEU198CD1724[N], 3[C],
LEU198CB422[N], 2[C],
LEU198CD2724[C], 3[N],
LEU210CD2623[C], 3[N],
LEU210O2328[O], 4[N], 11[C],
LEU210C19210[O], 9[C],
LEU210CB121[C],
LEU210CA421[O], 3[C],
HIS211CB4922[N], 22[O], 21[C], 4[P],
HIS211CD21121[P], 4[C], 6[O],
HIS211ND14124[N], 14[O], 2[P], 21[C],
HIS211C69232[C], 4[P], 9[N], 24[O],
HIS211CA5226[N], 18[O], 4[P], 24[C],
HIS211NE2925[O], 4[C],
HIS211O69231[C], 4[P], 8[N], 26[O],
HIS211CE12424[N], 6[O], 2[P], 12[C],
HIS211CG35215[O], 2[N], 2[P], 16[C],
HIS211N3723[N], 14[O], 2[P], 18[C],
ILE212N69212[N], 23[O], 4[P], 30[C],
ILE212CD132210[N], 5[O], 17[C],
ILE212O65220[O], 9[N], 32[C], 4[P],
ILE212C72230[C], 4[P], 26[O], 12[N],
ILE212CG14628[O], 10[N], 28[C],
ILE212CG247226[C], 11[O], 10[N],
ILE212CB60219[O], 10[N], 2[P], 29[C],
ILE212CA69230[C], 4[P], 10[N], 25[O],
PRO213CD6924[P], 30[C], 10[N], 25[O],
PRO213CB6427[N], 25[O], 28[C], 4[P],
PRO213CA62221[O], 9[N], 4[P], 28[C],
PRO213N72230[C], 4[P], 12[N], 26[O],
PRO213C50216[O], 6[N], 2[P], 26[C],
PRO213CG65228[C], 4[P], 24[O], 9[N],
PRO213O45210[O], 10[N], 25[C],
ASP214OD1323[O],
ASP214O421[C], 3[O],
ASP214CA1224[O], 1[N], 7[C],
ASP214C722[C], 3[O], 2[N],
ASP214CG423[O], 1[C],
ASP214OD2423[O], 1[C],
ASP214CB1024[O], 6[C],
ASP214N26214[C], 10[O], 2[N],
VAL215C222[N],
VAL215O724[N], 3[C],
VAL215CA222[N],
VAL215CG21527[N], 8[C],
VAL215CG1621[O], 3[N], 2[C],
VAL215CB824[N], 4[C],
VAL215N723[N], 2[O], 2[C],
PRO216C222[N],
PRO216O222[N],
PRO216N121[N],
SER217CA1226[C], 6[N],
SER217O17210[C], 7[N],
SER217CB1829[N], 9[C],
SER217C1529[C], 6[N],
SER217OG21211[C], 10[N],
SER217N724[N], 3[C],
THR218O522[C], 3[N],
THR218CG231210[N], 4[O], 17[C],
THR218OG11928[C], 3[O], 8[N],
THR218C1026[N], 4[C],
THR218CA1929[N], 10[C],
THR218CB23210[N], 3[O], 10[C],
THR218N1529[C], 6[N],
ARG219N321[C], 2[N],
PHE221CZ1527[N], 8[C],
PHE221CG1628[N], 8[C],
PHE221CE11628[C], 8[N],
PHE221CD21326[N], 7[C],
PHE221N121[N],
PHE221CA423[N], 1[C],
PHE221CE21426[N], 8[C],
PHE221CD11628[C], 8[N],
PHE221CB1024[N], 6[C],
ASN238CA222[N],
ASN238CG222[N],
ASN238O622[N], 4[C],
ASN238C624[C], 2[N],
ASN238ND21322[N], 4[O], 7[C],
ALA239O36222[C], 10[O], 4[N],
ALA239CA2624[N], 5[O], 17[C],
ALA239N1829[C], 4[N], 5[O],
ALA239CB23215[C], 4[N], 4[O],
ALA239C3624[N], 10[O], 22[C],
ALA240C36210[O], 4[N], 22[C],
ALA240N36210[O], 4[N], 22[C],
ALA240CB3724[N], 10[O], 22[C], 1[P],
ALA240CA37222[C], 1[P], 4[N], 10[O],
ALA240O36210[O], 4[N], 22[C],
ARG241CA25215[C], 6[O], 4[N],
ARG241CZ34210[O], 3[N], 21[C],
ARG241NE3721[P], 22[C], 10[O], 4[N],
ARG241CG3228[O], 4[N], 20[C],
ARG241C1426[C], 5[O], 3[N],
ARG241O623[O], 3[C],
ARG241N32220[C], 4[N], 8[O],
ARG241CB2526[O], 4[N], 15[C],
ARG241CD3328[O], 4[N], 21[C],
GLY242CA121[O],
GLY242N621[N], 2[O], 3[C],
CYS244SG924[O], 5[C],
CYS244CB121[O],
VAL264C121[N],
ASP265CG1222[O], 2[N], 8[C],
ASP265CA622[C], 2[O], 2[N],
ASP265O722[N], 2[O], 3[C],
ASP265C824[C], 2[O], 2[N],
ASP265OD1822[O], 2[N], 4[C],
ASP265CB1026[C], 2[O], 2[N],
ASP265OD216210[C], 2[O], 4[N],
ASP265N321[C], 2[N],
VAL266C222[N],
VAL266CG12424[N], 6[O], 14[C],
VAL266CA922[N], 2[O], 5[C],
VAL266N822[O], 2[N], 4[C],
VAL266CB1623[O], 4[N], 9[C],
VAL266O121[N],
VAL266CG21829[C], 4[N], 5[O],
PHE267N121[N],
GLU270OE2421[C], 2[N], 1[O],
THR291OG1222[N],
THR291O121[N],
PRO292C422[N], 2[O],
PRO292O222[O],
HIS293CG1322[O], 3[N], 8[C],
HIS293CB1022[N], 2[O], 6[C],
HIS293C1228[C], 2[O], 2[N],
HIS293O1222[O], 2[N], 8[C],
HIS293N622[C], 2[N], 2[O],
HIS293CE12324[N], 4[O], 15[C],
HIS293NE224216[C], 4[N], 4[O],
HIS293CD22024[N], 2[O], 14[C],
HIS293ND11323[N], 2[O], 8[C],
HIS293CA1127[C], 2[N], 2[O],
VAL294CG1222[O],
VAL294CG2622[N], 2[O], 2[C],
VAL294O1322[O], 3[N], 8[C],
VAL294CA1022[N], 2[O], 6[C],
VAL294CB622[C], 2[O], 2[N],
VAL294N1026[C], 2[N], 2[O],
VAL294C1422[O], 2[N], 10[C],
GLY295CA16211[C], 2[O], 3[N],
GLY295N1322[O], 3[N], 8[C],
GLY295O1822[O], 4[N], 12[C],
GLY295C1822[O], 4[N], 12[C],
GLY296CA1822[O], 4[N], 12[C],
GLY296N1822[O], 4[N], 12[C],
GLY296C1329[C], 2[N], 2[O],
GLY296O1122[O], 1[N], 8[C],
SER297C121[O],
SER297OG724[C], 1[N], 2[O],
SER297CB322[O], 1[C],
SER297N1222[O], 2[N], 8[C],
SER297CA422[C], 2[O],
Total = 307



Download csv file of statistical distribution of contacts