Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_D_11(3F8R) / Model_26(3F8R/D) = [8.0]	Download	1642.40	32.00	MYDTIIIGAGPAGMTAALYAARSNLKVALIEGGLPGGQMNNTSDIENYPGYANISGPELAEKMFEPLENLGVEHIYGYVENVEDHGDFKKVMTDDQTYETRTVIVATGSKHRPLGVPGEEELNSRGVSYCAVCDGAFFRDQDLLVVGGGDSAVEEALFLTRFAKTVTIVHRRDQLRAQKVLQDRAFANEKISFIWDSVVKEIKGENRVESVVFENVKTGQVTEQAFGGVFIYVGLDPLSDFVKELNIQDQAGWIVTDSHMKTAVDGIFAVGDVRLKDLRQVTTAVGDGAIAGQEAYKFITEHS
Consensus [pKd Mean = 8.00]	-	1642 (s=0)	32 (s=0)	MYDTIIIGAGPAGMTAALYAARSNLKVALIEGGLPGGQMNNTSDIENYPGYANISGPELAEKMFEPLENLGVEHIYGYVENVEDHGDFKKVMTDDQTYETRTVIVATGSKHRPLGVPGEEELNSRGVSYCAVCDGAFFRDQDLLVVGGGDSAVEEALFLTRFAKTVTIVHRRDQLRAQKVLQDRAFANEKISFIWDSVVKEIKGENRVESVVFENVKTGQVTEQAFGGVFIYVGLDPLSDFVKELNIQDQAGWIVTDSHMKTAVDGIFAVGDVRLKDLRQVTTAVGDGAIAGQEAYKFITEHS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	112	NE	19	1	1[P], 6[O], 3[N], 9[C],
ARG	112	CD	23	1	1[P], 7[O], 5[N], 10[C],
ARG	112	CG	17	1	10[C], 5[N], 2[O],
ARG	112	CZ	25	1	2[P], 10[O], 3[N], 10[C],
PRO	113	CD	4	1	2[N], 2[C],
PRO	113	CG	2	1	1[N], 1[C],
LEU	114	CG	8	1	4[N], 4[C],
LEU	114	CD1	12	1	6[C], 1[O], 5[N],
LEU	114	CD2	7	1	4[C], 3[N],
VAL	116	CG1	2	1	2[N],
GLU	119	OE1	1	1	1[N],
GLU	119	OE2	1	1	1[N],
VAL	132	CG1	2	1	2[C],
VAL	146	CG1	12	1	6[C], 5[N], 1[O],
VAL	146	CG2	3	1	2[N], 1[C],
ASP	150	OD1	24	1	10[C], 2[P], 10[O], 2[N],
ASP	150	CG	25	1	11[C], 2[P], 10[O], 2[N],
ASP	150	OD2	25	1	11[C], 2[P], 10[O], 2[N],
SER	151	OG	25	1	12[C], 2[P], 10[O], 1[N],
GLU	154	CD	9	1	6[C], 1[O], 2[N],
GLU	154	OE2	9	1	6[C], 2[N], 1[O],
GLU	154	OE1	10	1	7[C], 2[N], 1[O],
GLU	154	CG	9	1	6[C], 2[N], 1[O],
GLU	155	CG	3	1	2[C], 1[O],
GLU	155	OE2	3	1	2[C], 1[O],
GLU	155	CD	1	1	1[C],
PHE	158	CE1	1	1	1[C],
VAL	169	CG1	1	1	1[C],
HIS	170	CG	14	1	6[C], 1[P], 2[N], 5[O],
HIS	170	ND1	22	1	1[P], 7[O], 4[N], 10[C],
HIS	170	CE1	21	1	1[P], 7[O], 4[N], 9[C],
HIS	170	CD2	13	1	5[C], 5[O], 2[N], 1[P],
HIS	170	NE2	17	1	1[P], 7[O], 2[N], 7[C],
ARG	171	CZ	21	1	5[N], 6[O], 1[P], 9[C],
ARG	171	CG	20	1	9[C], 1[P], 5[N], 5[O],
ARG	171	NE	21	1	9[C], 1[P], 5[N], 6[O],
ARG	171	CD	20	1	1[P], 5[O], 5[N], 9[C],
ARG	172	CG	7	1	2[C], 4[O], 1[P],
ARG	172	NE	12	1	4[C], 1[P], 2[N], 5[O],
ARG	172	CZ	14	1	6[C], 5[O], 2[N], 1[P],
ARG	172	CD	12	1	4[C], 5[O], 2[N], 1[P],
LEU	175	CD2	2	1	2[O],
ARG	176	NE	16	1	5[C], 2[P], 9[O],
ARG	176	CZ	18	1	1[N], 9[O], 2[P], 6[C],
ARG	176	CG	16	1	2[P], 9[O], 5[C],
ARG	176	CD	16	1	2[P], 9[O], 5[C],
GLN	178	OE1	6	1	1[O], 1[N], 4[C],
GLN	178	CG	9	1	5[C], 2[O], 2[N],
GLN	178	CD	9	1	2[N], 2[O], 5[C],
GLN	178	NE2	12	1	2[O], 2[N], 8[C],
LEU	181	CD2	7	1	1[N], 1[O], 5[C],
LEU	181	CD1	12	1	2[N], 3[O], 7[C],
LEU	181	CG	7	1	1[N], 1[O], 5[C],
VAL	198	CG1	7	1	4[C], 3[N],
VAL	198	CG2	2	1	1[N], 1[C],
VAL	199	CG2	2	1	1[N], 1[C],
ILE	231	CG2	8	1	4[N], 4[C],
TYR	232	CE2	1	1	1[O],
TYR	232	CD2	3	1	2[O], 1[P],
TYR	232	CD1	1	1	1[O],
TYR	232	CG	3	1	1[C], 1[O], 1[P],
VAL	233	CG1	23	1	5[N], 7[O], 1[P], 10[C],
VAL	233	CG2	21	1	10[C], 5[N], 6[O],
LEU	235	CD2	2	1	1[C], 1[O],
LEU	235	CD1	7	1	1[P], 4[O], 2[C],
LEU	235	CG	7	1	2[C], 4[O], 1[P],
ASP	236	OD1	2	1	1[O], 1[N],
TRP	253	CG	2	1	1[C], 1[O],
TRP	253	CD2	3	1	2[C], 1[O],
TRP	253	CE2	6	1	3[O], 3[C],
TRP	253	NE1	9	1	4[O], 5[C],
TRP	253	CZ2	6	1	3[O], 3[C],
TRP	253	CD1	5	1	3[C], 2[O],
LEU	278	CG	13	1	1[N], 4[O], 8[C],
LEU	278	CD2	12	1	1[N], 4[O], 7[C],
LEU	278	CD1	21	1	1[P], 7[O], 2[N], 11[C],
ARG	279	NE	5	1	3[C], 2[O],
ARG	279	CZ	12	1	6[C], 1[N], 4[O], 1[P],
ARG	279	CD	6	1	2[O], 4[C],
ARG	279	CG	8	1	5[C], 2[O], 1[N],
Total = 80


Binding Site Information :		Doc...
Information extracted from the bests complexes created by comparative docking.