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 :C3_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 C3_S1
Complex: 5GP_D_4(2FXV) / Model_21(2FXV/B) = [7.9] Download760.3124.00MKLLEERILKDGHILDDNILKVDSFLTHQVDFSLMREIGKVFAEKFAATGITKVVTIEASGIAPAVFTAEALNVPMIFAKKAKNITMNEGILTAQVYSFTKQVTSTVSIAGKFLSPEDKVLIIDDFLANGQAAKGLIQIIEQAGATVQAIGIVIEKSFQDGRDLLEKAGYPVLSLARLDRFENGQVVFKEADL
Complex: G4P_D_16(1Y0B) / Model_29(1Y0B/D) = [5.0] Download1314.5024.40MKLLEERILKDGHILDDNILKVDSFLTHQVDFSLMREIGKVFAEKFAATGITKVVTIEASGIAPAVFTAEALNVPMIFAKKAKNITMNEGILTAQVYSFTKQVTSTVSIAGKFLSPEDKVLIIDDFLANGQAAKGLIQIIEQAGATVQAIGIVIEKSFQDGRDLLEKAGYPVLSLARLDRFENGQVVFKEADL
Consensus
[pKd Mean = 6.45]		-1037
(s=277)		24
(s=0)		MKLLEERILKDGHILDDNILKVDSFLTHQVDFSLMREIGKVFAEKFAATGITKVVTIEASGIAPAVFTAEALNVPMIFAKKAKNITMNEGILTAQVYSFTKQVTSTVSIAGKFLSPEDKVLIIDDFLANGQAAKGLIQIIEQAGATVQAIGIVIEKSFQDGRDLLEKAGYPVLSLARLDRFENGQVVFKEADL



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]
ILE14CD1121[O],
LEU15CD1321[C], 2[N],
LEU15CG323[N],
ASN18CG121[O],
ILE19CG125210[N], 12[C], 3[O],
ILE19CD124210[N], 3[O], 11[C],
ILE19CG225210[N], 12[C], 3[O],
LEU20CG1526[N], 7[C], 2[O],
LEU20CD11024[C], 2[O], 4[N],
LEU20CD21222[O], 6[C], 4[N],
LYS21CE823[N], 1[O], 4[C],
LYS21CG925[N], 1[O], 3[C],
LYS21CD924[C], 1[O], 4[N],
LYS21NZ1124[N], 2[O], 5[C],
VAL22CG11024[C], 2[O], 4[N],
VAL22CG21622[O], 8[C], 6[N],
ASP23OD2322[N], 1[C],
ASP23OD1926[N], 1[O], 2[C],
ASP23CG422[N], 2[C],
LEU26CG321[O], 2[N],
LEU26CD1421[C], 3[N],
LEU26CD2621[C], 1[O], 4[N],
THR27CG23122[P], 8[O], 13[C], 8[N],
THR27OG11226[N], 1[P], 2[O], 3[C],
THR56OG1222[O],
ILE57CD11328[O], 3[C], 2[P],
ILE57CG21922[P], 5[C], 12[O],
ILE57CG1926[O], 1[C], 2[P],
GLU58CD222[O],
GLU58CG524[O], 1[P],
SER60OG2522[P], 9[C], 10[O], 4[N],
ILE62CG1121[O],
ILE62CD1121[O],
LYS81CE1428[O], 4[C], 2[P],
LYS81CD1027[O], 1[C], 2[P],
LYS81CG722[P], 5[O],
LYS81NZ19212[O], 5[C], 2[P],
VAL96CG11328[O], 4[C], 1[P],
VAL96CG2121[O],
TYR97CE2121[O],
TYR97CG121[O],
TYR97CD2222[O],
SER98OG1922[N], 9[C], 7[O], 1[P],
PHE99CE21824[N], 1[P], 8[C], 5[O],
PHE99CZ1523[N], 6[C], 5[O], 1[P],
PHE99CG2324[N], 1[P], 10[C], 8[O],
PHE99CD22224[N], 7[O], 10[C], 1[P],
PHE99CD11821[P], 7[O], 8[C], 2[N],
PHE99CE11727[C], 7[O], 1[P], 2[N],
THR100OG124212[C], 7[O], 5[N],
THR100CG220210[C], 5[O], 5[N],
LYS101CG321[C], 2[O],
LYS101CE121[O],
LYS101NZ121[C],
VAL107CG1121[O],
ASP124OD121212[O], 7[C], 2[P],
ASP124CG2221[N], 7[C], 12[O], 2[P],
ASP124OD22522[P], 9[C], 13[O], 1[N],
ASP125CG4122[P], 18[C], 12[O], 9[N],
ASP125OD142213[O], 18[C], 2[P], 9[N],
ASP125OD244210[N], 19[C], 13[O], 2[P],
PHE126CZ3025[O], 15[C], 10[N],
PHE126CG43210[N], 12[O], 19[C], 2[P],
PHE126CE134217[C], 7[O], 10[N],
PHE126CD243210[N], 1[P], 19[C], 13[O],
PHE126CE236217[C], 9[O], 10[N],
PHE126CD138210[O], 18[C], 10[N],
LEU127CG621[P], 4[O], 1[C],
LEU127CD1821[P], 4[O], 3[C],
LEU127CD2221[O], 1[P],
ASN129ND2921[P], 5[O], 2[C], 1[N],
ASN129OD1521[P], 4[O],
ASN129CG1021[P], 3[C], 5[O], 1[N],
GLN131CD524[O], 1[P],
GLN131NE2322[O], 1[P],
GLN131OE1524[O], 1[P],
GLN131CG922[C], 6[O], 1[P],
LYS134CD121[O],
LYS134CG222[O],
LEU136CD1121[O],
ILE152CD1422[O], 2[C],
ILE152CG2221[C], 1[O],
ILE152CG1121[O],
ILE154CG1121[N],
ILE154CD11022[O], 4[C], 4[N],
ILE154CG21122[O], 6[C], 3[N],
LYS156NZ38210[N], 1[P], 18[C], 9[O],
LYS156CG1729[C], 2[O], 6[N],
LYS156CD2129[N], 10[C], 2[O],
LYS156CE3621[P], 17[C], 8[O], 10[N],
PHE158CE2222[O],
PHE158CZ222[O],
PHE158CE1121[O],
GLN159CG322[N], 1[O],
GLN159NE21223[N], 6[C], 3[O],
GLN159OE12229[C], 6[O], 1[P], 6[N],
GLN159CD1426[C], 5[O], 3[N],
LEU165CD1121[O],
LEU165CG121[O],
LEU178CD2221[C], 1[O],
LEU178CD1321[C], 1[O], 1[N],
PHE181CD21022[O], 4[C], 4[N],
PHE181CZ1024[N], 4[C], 2[O],
PHE181CG422[C], 2[O],
PHE181CE21322[O], 7[C], 4[N],
PHE181CE1522[C], 2[O], 1[N],
PHE181CD1222[O],
Total = 107



Download csv file of statistical distribution of contacts