Binding Site Information :
Doc...
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: C6W_C_11(2YP6) / Model_22(2YP6/C) = [4.0] Download1193.1625.47MNKGGQMKKVMFAGLSLLSLVVLMACGEEETKKTQAAQQPKQQTTVQQISVGKDVPDFTLQSMDGKEVKLSDFKGKKVYLKFWASWCGPCKKSMPELMELAAKPDRDFEILTVIAPGIQGEKTVEQFPQWFQEQGYKDIPVLYDTKATTFQAYQIRSIPTEYLIDSQGKIGKIQFGAISNADAEAAFKEMN
Consensus
[pKd Mean = 4.00]		-1193
(s=0)		25
(s=0)		MNKGGQMKKVMFAGLSLLSLVVLMACGEEETKKTQAAQQPKQQTTVQQISVGKDVPDFTLQSMDGKEVKLSDFKGKKVYLKFWASWCGPCKKSMPELMELAAKPDRDFEILTVIAPGIQGEKTVEQFPQWFQEQGYKDIPVLYDTKATTFQAYQIRSIPTEYLIDSQGKIGKIQFGAISNADAEAAFKEMN



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]
PHE82CD2111[C],
TRP86CZ22011[N], 14[C], 4[O], 1[P],
TRP86NE11913[O], 1[P], 1[N], 14[C],
TRP86CE22011[P], 4[O], 1[N], 14[C],
TRP86CE31511[P], 3[O], 1[N], 10[C],
TRP86CZ317111[C], 1[N], 1[P], 4[O],
TRP86CD216111[C], 1[N], 1[P], 3[O],
TRP86CD114111[C], 1[N], 1[O], 1[P],
TRP86CG1311[N], 10[C], 1[P], 1[O],
ILE118CG1616[C],
ILE118CD1515[C],
ILE118CG2818[C],
GLN119CG20114[C], 1[N], 1[P], 4[O],
GLN119NE21611[N], 10[C], 4[O], 1[P],
GLN119OE11911[P], 4[O], 1[N], 13[C],
GLN119CD1914[O], 1[P], 13[C], 1[N],
GLU121OE1212[C],
GLU121CD111[C],
GLU121CG212[C],
ASP144CG212[C],
ASP144OD2313[C],
PHE150CZ717[C],
PHE150CE2818[C],
PHE150CE1616[C],
PHE150CD2818[C],
PHE150CG717[C],
PHE150CD1616[C],
GLN151CG212[C],
ILE155CG2717[C],
ILE155CG1414[C],
ILE158CG2717[C],
ILE158CG1616[C],
ILE158CD110110[C],
Total = 33



Download csv file of statistical distribution of contacts