Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
CYS	28	SG	2	1	1[S], 1[F],
CYS	28	CB	2	1	1[S], 1[F],
ILE	38	CG2	2	1	1[F], 1[S],
ILE	38	C	1	1	1[S],
ILE	38	O	1	1	1[S],
GLU	39	C	3	1	1[S], 2[F],
GLU	39	O	4	1	2[S], 2[F],
GLU	39	CB	1	1	1[S],
GLU	39	CA	1	1	1[S],
GLU	39	N	1	1	1[S],
HIS	40	CB	4	1	2[S], 2[F],
HIS	40	ND1	3	1	2[F], 1[S],
HIS	40	CG	3	1	2[F], 1[S],
HIS	40	CA	4	1	2[S], 2[F],
HIS	40	N	4	1	2[S], 2[F],
HIS	40	NE2	1	1	1[S],
HIS	40	CE1	1	1	1[S],
HIS	40	CD2	3	1	1[S], 2[F],
HIS	40	O	4	1	2[F], 2[S],
HIS	40	C	4	1	2[F], 2[S],
ALA	41	CA	4	1	2[S], 2[F],
ALA	41	O	2	1	1[F], 1[S],
ALA	41	N	4	1	2[F], 2[S],
ALA	41	CB	4	1	2[F], 2[S],
ALA	41	C	4	1	2[F], 2[S],
CYS	42	O	4	1	2[F], 2[S],
CYS	42	N	4	1	2[F], 2[S],
CYS	42	CA	4	1	2[F], 2[S],
CYS	42	SG	4	1	2[S], 2[F],
CYS	42	C	4	1	2[F], 2[S],
CYS	42	CB	4	1	2[S], 2[F],
ASP	43	C	4	1	2[F], 2[S],
ASP	43	OD1	1	1	1[S],
ASP	43	CB	2	1	1[F], 1[S],
ASP	43	CA	4	1	2[F], 2[S],
ASP	43	O	4	1	2[F], 2[S],
ASP	43	CG	1	1	1[S],
ASP	43	N	4	1	2[F], 2[S],
MET	44	CE	2	1	1[F], 1[S],
MET	44	CB	4	1	2[S], 2[F],
MET	44	O	4	1	2[S], 2[F],
MET	44	N	4	1	2[S], 2[F],
MET	44	CG	4	1	2[S], 2[F],
MET	44	C	4	1	2[S], 2[F],
MET	44	CA	4	1	2[F], 2[S],
MET	44	SD	2	1	1[S], 1[F],
SER	45	N	4	1	2[F], 2[S],
SER	45	CA	4	1	2[F], 2[S],
SER	45	OG	4	1	2[S], 2[F],
SER	45	O	4	1	2[F], 2[S],
SER	45	C	4	1	2[S], 2[F],
SER	45	CB	4	1	2[F], 2[S],
CYS	46	N	4	1	2[F], 2[S],
CYS	46	CA	4	1	2[F], 2[S],
CYS	46	O	4	1	2[F], 2[S],
CYS	46	C	4	1	2[F], 2[S],
CYS	46	SG	3	1	1[S], 2[F],
CYS	46	CB	4	1	2[S], 2[F],
ALA	47	O	4	1	2[F], 2[S],
ALA	47	C	4	1	2[S], 2[F],
ALA	47	N	4	1	2[S], 2[F],
ALA	47	CA	4	1	2[F], 2[S],
ALA	47	CB	4	1	2[F], 2[S],
CYS	48	SG	4	1	2[F], 2[S],
CYS	48	O	4	1	2[F], 2[S],
CYS	48	N	4	1	2[S], 2[F],
CYS	48	C	4	1	2[S], 2[F],
CYS	48	CA	4	1	2[F], 2[S],
CYS	48	CB	4	1	2[F], 2[S],
THR	49	C	4	1	2[S], 2[F],
THR	49	OG1	2	1	1[F], 1[S],
THR	49	CG2	3	1	2[F], 1[S],
THR	49	N	4	1	2[S], 2[F],
THR	49	CA	4	1	2[F], 2[S],
THR	49	O	4	1	2[F], 2[S],
THR	49	CB	3	1	1[S], 2[F],
THR	50	CA	4	1	2[S], 2[F],
THR	50	OG1	4	1	2[F], 2[S],
THR	50	N	4	1	2[S], 2[F],
THR	50	O	4	1	2[F], 2[S],
THR	50	CG2	4	1	2[S], 2[F],
THR	50	CB	4	1	2[F], 2[S],
THR	50	C	4	1	2[F], 2[S],
CYS	51	CA	4	1	2[S], 2[F],
CYS	51	C	4	1	2[F], 2[S],
CYS	51	SG	4	1	2[F], 2[S],
CYS	51	CB	4	1	2[S], 2[F],
CYS	51	O	4	1	2[S], 2[F],
CYS	51	N	4	1	2[S], 2[F],
HIS	52	CB	2	1	1[S], 1[F],
HIS	52	CA	2	1	1[S], 1[F],
HIS	52	N	4	1	2[S], 2[F],
VAL	68	CG1	1	1	1[S],
VAL	68	O	1	1	1[S],
GLU	69	CG	1	1	1[S],
GLU	69	CA	1	1	1[S],
GLU	69	CD	1	1	1[S],
GLU	69	CB	1	1	1[S],
GLU	69	O	1	1	1[S],
GLU	69	OE2	1	1	1[S],
LEU	72	CA	1	1	1[S],
LEU	72	CD2	3	1	2[F], 1[S],
LEU	72	CG	3	1	2[F], 1[S],
LEU	72	CB	3	1	1[S], 2[F],
LEU	72	CD1	4	1	2[F], 2[S],
LEU	72	C	1	1	1[S],
LEU	73	N	1	1	1[S],
LEU	73	CD2	1	1	1[S],
ARG	84	C	2	1	1[S], 1[F],
ARG	84	O	1	1	1[F],
LEU	85	O	3	1	2[S], 1[F],
LEU	85	C	4	1	2[F], 2[S],
LEU	85	CG	4	1	2[S], 2[F],
LEU	85	CD2	4	1	2[S], 2[F],
LEU	85	CD1	4	1	2[F], 2[S],
LEU	85	CA	4	1	2[F], 2[S],
LEU	85	CB	4	1	2[F], 2[S],
LEU	85	N	2	1	1[S], 1[F],
SER	86	O	2	1	1[F], 1[S],
SER	86	OG	3	1	1[F], 2[S],
SER	86	C	3	1	1[F], 2[S],
SER	86	N	4	1	2[S], 2[F],
SER	86	CA	3	1	1[F], 2[S],
SER	86	CB	2	1	1[F], 1[S],
CYS	87	CB	4	1	2[S], 2[F],
CYS	87	N	4	1	2[S], 2[F],
CYS	87	C	4	1	2[F], 2[S],
CYS	87	CA	4	1	2[F], 2[S],
CYS	87	SG	4	1	2[F], 2[S],
CYS	87	O	4	1	2[S], 2[F],
GLN	88	CG	4	1	2[S], 2[F],
GLN	88	C	1	1	1[F],
GLN	88	CD	4	1	2[F], 2[S],
GLN	88	CA	2	1	1[S], 1[F],
GLN	88	OE1	2	1	1[S], 1[F],
GLN	88	N	4	1	2[S], 2[F],
GLN	88	NE2	4	1	2[S], 2[F],
GLN	88	CB	2	1	1[F], 1[S],
VAL	89	N	1	1	1[F],
Total = 139

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C10_S1
Complex: FES_B_5(1I7H) / Model_112(1I7H/B) = [3.7]	Download	11.85	-14.60	MPRIKVLPHAQFCPEGAEFEVEQNANLCQSLLNKGIKIEHACDMSCACTTCHVIVRKGFDSLEEMNDVEADLLDRAWGLEPDSRLSCQVKVVDEDLEIEIPKYTINHASENH
Consensus [pKd Mean = 3.70]	-	11 (s=0)	-14 (s=0)	MPRIKVLPHAQFCPEGAEFEVEQNANLCQSLLNKGIKIEHACDMSCACTTCHVIVRKGFDSLEEMNDVEADLLDRAWGLEPDSRLSCQVKVVDEDLEIEIPKYTINHASENH


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