Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	49	CG2	7	1	1[N], 6[C],
ILE	49	CB	10	1	1[O], 7[C], 2[N],
ILE	49	O	7	1	1[N], 6[C],
ILE	49	CA	3	1	2[C], 1[N],
ILE	49	C	4	1	1[N], 3[C],
ILE	49	CD1	16	1	1[O], 2[N], 13[C],
ILE	49	CG1	12	1	1[O], 2[N], 9[C],
GLY	50	O	6	1	4[C], 2[N],
GLY	50	C	1	1	1[C],
HIS	51	O	2	1	1[C], 1[N],
HIS	51	C	2	1	1[C], 1[N],
GLY	52	N	6	1	1[N], 5[C],
GLY	52	C	12	1	2[N], 10[C],
GLY	52	CA	11	1	1[N], 10[C],
ALA	53	C	7	1	1[N], 6[C],
ALA	53	CB	12	1	1[O], 1[N], 10[C],
ALA	53	N	14	1	1[O], 2[N], 11[C],
ALA	53	CA	11	1	1[O], 1[N], 9[C],
ALA	53	O	11	1	1[O], 1[N], 9[C],
TYR	54	CD2	3	1	2[C], 1[N],
TYR	54	CE2	3	1	2[C], 1[N],
VAL	56	O	3	1	3[C],
VAL	56	C	1	1	1[C],
VAL	57	O	2	1	2[C],
VAL	57	CB	15	1	2[N], 13[C],
VAL	57	CA	7	1	1[N], 6[C],
VAL	57	CG1	18	1	1[O], 2[N], 15[C],
VAL	57	C	3	1	2[C], 1[N],
VAL	57	CG2	15	1	2[N], 13[C],
VAL	57	N	4	1	1[N], 3[C],
CYS	58	O	5	1	3[C], 2[N],
CYS	58	N	3	1	2[C], 1[N],
CYS	58	C	1	1	1[C],
CYS	58	CA	1	1	1[C],
ALA	59	N	1	1	1[N],
ALA	59	CA	2	1	1[C], 1[N],
ALA	59	CB	2	1	1[C], 1[N],
GLU	68	O	1	1	1[O],
VAL	69	CB	1	1	1[C],
VAL	69	CA	4	1	1[O], 3[C],
VAL	69	C	11	1	1[O], 2[N], 8[C],
VAL	69	O	8	1	1[O], 1[N], 6[C],
ALA	70	C	15	1	1[O], 2[N], 12[C],
ALA	70	N	14	1	1[O], 2[N], 11[C],
ALA	70	CA	15	1	1[O], 2[N], 12[C],
ALA	70	O	14	1	1[N], 13[C],
ALA	70	CB	18	1	1[O], 2[N], 15[C],
ILE	71	N	10	1	1[N], 9[C],
ILE	71	O	7	1	1[N], 6[C],
ILE	71	CA	9	1	1[N], 8[C],
ILE	71	CG2	1	1	1[C],
ILE	71	CG1	1	1	1[C],
ILE	71	CB	2	1	2[C],
ILE	71	C	9	1	1[N], 8[C],
LYS	72	C	5	1	5[C],
LYS	72	CE	17	1	1[O], 2[N], 14[C],
LYS	72	N	11	1	1[N], 10[C],
LYS	72	CD	14	1	1[O], 2[N], 11[C],
LYS	72	O	5	1	5[C],
LYS	72	CG	13	1	2[N], 11[C],
LYS	72	CB	13	1	2[N], 11[C],
LYS	72	CA	10	1	1[N], 9[C],
LYS	72	NZ	17	1	1[O], 2[N], 14[C],
ARG	73	N	3	1	3[C],
VAL	74	CG2	2	1	2[C],
ARG	86	O	1	1	1[C],
ARG	89	CG	1	1	1[C],
ARG	89	CB	1	1	1[C],
ARG	89	CA	1	1	1[C],
ARG	89	C	3	1	3[C],
ARG	89	CD	1	1	1[C],
ARG	89	O	4	1	3[C], 1[N],
GLU	90	C	7	1	1[N], 6[C],
GLU	90	CB	9	1	1[O], 1[N], 7[C],
GLU	90	O	9	1	1[O], 1[N], 7[C],
GLU	90	OE1	12	1	1[O], 1[N], 10[C],
GLU	90	CG	12	1	1[O], 1[N], 10[C],
GLU	90	CA	7	1	1[N], 6[C],
GLU	90	CD	13	1	1[O], 1[N], 11[C],
GLU	90	N	4	1	3[C], 1[N],
GLU	90	OE2	15	1	1[O], 2[N], 12[C],
LEU	94	C	1	1	1[C],
LEU	94	O	1	1	1[C],
LEU	94	N	4	1	3[C], 1[N],
LEU	94	CA	1	1	1[C],
ARG	95	C	1	1	1[C],
ARG	95	O	1	1	1[C],
ARG	95	N	1	1	1[C],
ILE	96	C	5	1	1[N], 4[C],
ILE	96	CG1	4	1	3[C], 1[N],
ILE	96	CB	6	1	1[O], 1[N], 4[C],
ILE	96	O	4	1	3[C], 1[N],
ILE	96	CD1	4	1	3[C], 1[N],
ILE	96	N	3	1	3[C],
ILE	96	CG2	6	1	1[O], 1[N], 4[C],
ILE	96	CA	4	1	3[C], 1[N],
LEU	97	CB	11	1	1[O], 1[N], 9[C],
LEU	97	N	8	1	1[O], 1[N], 6[C],
LEU	97	CG	13	1	1[O], 1[N], 11[C],
LEU	97	O	2	1	2[C],
LEU	97	C	2	1	2[C],
LEU	97	CD1	15	1	1[O], 1[N], 13[C],
LEU	97	CD2	15	1	1[O], 1[N], 13[C],
LEU	97	CA	9	1	1[O], 1[N], 7[C],
LYS	98	N	1	1	1[C],
CYS	100	SG	3	1	3[C],
CYS	100	CB	2	1	2[C],
VAL	105	CG1	2	1	1[O], 1[C],
VAL	105	C	2	1	1[O], 1[C],
LEU	106	CD1	20	1	2[O], 3[N], 15[C],
LEU	106	CG	21	1	2[O], 2[N], 17[C],
LEU	106	C	13	1	1[O], 1[N], 11[C],
LEU	106	CA	14	1	1[O], 1[N], 12[C],
LEU	106	CB	21	1	2[O], 2[N], 17[C],
LEU	106	O	11	1	1[O], 1[N], 9[C],
LEU	106	CD2	22	1	2[O], 3[N], 17[C],
LEU	106	N	8	1	1[O], 1[N], 6[C],
ARG	107	O	13	1	1[O], 1[N], 11[C],
ARG	107	C	9	1	1[O], 8[C],
ARG	107	CA	4	1	1[O], 3[C],
ARG	107	N	9	1	1[O], 8[C],
LEU	108	CA	2	1	2[C],
LEU	108	CD1	6	1	6[C],
LEU	108	CG	2	1	2[C],
LEU	108	CB	2	1	2[C],
ARG	110	O	1	1	1[C],
TYR	125	C	2	1	2[C],
LEU	126	CA	7	1	7[C],
LEU	126	CD1	13	1	1[O], 1[N], 11[C],
LEU	126	CD2	6	1	1[N], 5[C],
LEU	126	CB	10	1	1[N], 9[C],
LEU	126	C	8	1	8[C],
LEU	126	O	10	1	1[N], 9[C],
LEU	126	N	4	1	4[C],
LEU	126	CG	9	1	1[N], 8[C],
VAL	127	CG1	2	1	2[C],
VAL	127	O	9	1	9[C],
VAL	127	C	10	1	10[C],
VAL	127	CB	3	1	3[C],
VAL	127	CG2	1	1	1[C],
VAL	127	N	8	1	8[C],
VAL	127	CA	7	1	7[C],
THR	128	O	13	1	1[O], 1[N], 11[C],
THR	128	C	14	1	1[O], 1[N], 12[C],
THR	128	CG2	18	1	1[O], 2[N], 15[C],
THR	128	CB	18	1	2[O], 2[N], 14[C],
THR	128	OG1	19	1	2[O], 3[N], 14[C],
THR	128	N	13	1	1[N], 12[C],
THR	128	CA	15	1	1[O], 1[N], 13[C],
ASP	129	CB	6	1	1[O], 5[C],
ASP	129	N	13	1	1[O], 1[N], 11[C],
ASP	129	C	14	1	1[O], 2[N], 11[C],
ASP	129	CA	12	1	1[O], 2[N], 9[C],
ASP	129	O	19	1	1[O], 2[N], 16[C],
ASP	129	CG	3	1	1[O], 2[C],
ASP	129	OD2	1	1	1[C],
LEU	130	CA	15	1	1[O], 2[N], 12[C],
LEU	130	N	12	1	1[O], 2[N], 9[C],
LEU	130	C	13	1	1[O], 2[N], 10[C],
LEU	130	CD2	10	1	1[O], 1[N], 8[C],
LEU	130	O	11	1	1[O], 1[N], 9[C],
LEU	130	CD1	15	1	1[O], 2[N], 12[C],
LEU	130	CB	14	1	1[O], 2[N], 11[C],
LEU	130	CG	13	1	1[O], 2[N], 10[C],
TYR	131	CZ	5	1	1[O], 4[C],
TYR	131	CA	11	1	1[O], 1[N], 9[C],
TYR	131	CB	11	1	1[O], 1[N], 9[C],
TYR	131	N	13	1	1[O], 2[N], 10[C],
TYR	131	CD1	14	1	1[O], 2[N], 11[C],
TYR	131	C	10	1	1[O], 1[N], 8[C],
TYR	131	CG	11	1	1[O], 1[N], 9[C],
TYR	131	O	11	1	1[O], 1[N], 9[C],
TYR	131	CE1	12	1	1[O], 2[N], 9[C],
TYR	131	CE2	4	1	1[O], 3[C],
TYR	131	CD2	10	1	1[O], 1[N], 8[C],
ASP	132	O	7	1	1[O], 1[N], 5[C],
ASP	132	CA	7	1	1[O], 1[N], 5[C],
ASP	132	OD1	4	1	1[O], 3[C],
ASP	132	C	7	1	1[O], 1[N], 5[C],
ASP	132	CG	2	1	2[C],
ASP	132	CB	5	1	1[O], 4[C],
ASP	132	N	8	1	1[O], 1[N], 6[C],
ILE	133	C	7	1	1[O], 1[N], 5[C],
ILE	133	O	8	1	1[O], 1[N], 6[C],
ILE	133	N	7	1	1[O], 1[N], 5[C],
ILE	133	CG2	4	1	4[C],
ILE	133	CB	4	1	4[C],
ILE	133	CG1	3	1	3[C],
ILE	133	CA	7	1	1[O], 1[N], 5[C],
ILE	133	CD1	2	1	2[C],
ASP	134	N	7	1	1[O], 1[N], 5[C],
ASP	134	CA	7	1	1[O], 1[N], 5[C],
ASP	134	OD2	6	1	1[N], 5[C],
ASP	134	O	3	1	3[C],
ASP	134	OD1	3	1	3[C],
ASP	134	CG	5	1	4[C], 1[N],
ASP	134	C	3	1	3[C],
ASP	134	CB	7	1	1[O], 1[N], 5[C],
LEU	135	N	3	1	3[C],
LEU	135	CA	1	1	1[C],
SER	137	OG	3	1	3[C],
SER	137	CB	2	1	2[C],
SER	137	N	1	1	1[C],
ILE	169	CG2	2	1	2[C],
HIS	171	CE1	3	1	1[O], 2[C],
HIS	171	NE2	3	1	1[O], 2[C],
HIS	171	CD2	2	1	1[O], 1[C],
PRO	176	O	1	1	1[C],
SER	177	C	3	1	3[C],
SER	177	CA	2	1	2[C],
SER	177	O	8	1	1[N], 7[C],
ASN	178	CA	2	1	1[O], 1[C],
ASN	178	CG	1	1	1[O],
ASN	178	O	2	1	1[O], 1[C],
ASN	178	C	2	1	1[O], 1[C],
ASN	178	N	1	1	1[C],
ASN	178	CB	1	1	1[O],
ILE	179	O	6	1	1[O], 5[C],
ILE	179	N	1	1	1[C],
ILE	179	CA	1	1	1[C],
ILE	179	C	6	1	1[O], 1[N], 4[C],
LEU	180	CB	13	1	1[O], 2[N], 10[C],
LEU	180	N	11	1	1[O], 1[N], 9[C],
LEU	180	O	4	1	1[O], 3[C],
LEU	180	C	9	1	1[O], 1[N], 7[C],
LEU	180	CA	11	1	1[O], 1[N], 9[C],
LEU	180	CG	16	1	2[O], 2[N], 12[C],
LEU	180	CD2	15	1	1[O], 2[N], 12[C],
LEU	180	CD1	20	1	2[O], 2[N], 16[C],
LEU	181	CB	2	1	2[C],
LEU	181	O	6	1	1[O], 5[C],
LEU	181	N	7	1	1[O], 1[N], 5[C],
LEU	181	CA	3	1	1[O], 2[C],
LEU	181	C	3	1	1[O], 2[C],
ARG	182	CG	1	1	1[O],
ARG	182	CZ	1	1	1[O],
ILE	191	CG2	5	1	2[O], 3[C],
ILE	191	CB	4	1	1[O], 3[C],
ILE	191	O	4	1	1[O], 3[C],
ILE	191	CG1	2	1	1[O], 1[C],
VAL	192	CB	1	1	1[O],
VAL	192	O	12	1	1[O], 1[N], 10[C],
VAL	192	C	9	1	1[O], 1[N], 7[C],
VAL	192	N	1	1	1[O],
VAL	192	CG1	2	1	1[O], 1[C],
VAL	192	CA	1	1	1[O],
CYS	193	SG	24	1	2[O], 3[N], 19[C],
CYS	193	CB	22	1	2[O], 3[N], 17[C],
CYS	193	O	8	1	1[O], 1[N], 6[C],
CYS	193	CA	18	1	1[O], 2[N], 15[C],
CYS	193	C	14	1	1[O], 2[N], 11[C],
CYS	193	N	14	1	1[O], 2[N], 11[C],
ASP	194	CB	12	1	1[O], 2[N], 9[C],
ASP	194	O	7	1	1[O], 1[N], 5[C],
ASP	194	OD1	19	1	1[O], 2[N], 16[C],
ASP	194	C	9	1	1[O], 1[N], 7[C],
ASP	194	N	15	1	1[O], 2[N], 12[C],
ASP	194	CG	16	1	1[O], 2[N], 13[C],
ASP	194	OD2	15	1	1[O], 2[N], 12[C],
ASP	194	CA	12	1	1[O], 1[N], 10[C],
PHE	195	CZ	9	1	1[O], 1[N], 7[C],
PHE	195	CG	6	1	1[O], 1[N], 4[C],
PHE	195	CD1	6	1	1[O], 1[N], 4[C],
PHE	195	CE1	7	1	1[O], 1[N], 5[C],
PHE	195	CE2	8	1	1[O], 1[N], 6[C],
PHE	195	CD2	8	1	1[O], 1[N], 6[C],
PHE	195	O	7	1	1[O], 1[N], 5[C],
PHE	195	C	6	1	1[O], 1[N], 4[C],
PHE	195	CB	6	1	1[O], 1[N], 4[C],
PHE	195	N	8	1	1[O], 1[N], 6[C],
PHE	195	CA	6	1	1[O], 1[N], 4[C],
GLY	196	N	4	1	3[C], 1[N],
GLY	196	C	4	1	3[C], 1[N],
GLY	196	O	3	1	3[C],
GLY	196	CA	3	1	3[C],
LEU	197	N	4	1	3[C], 1[N],
LEU	197	CD2	8	1	1[O], 1[N], 6[C],
LEU	197	C	2	1	2[C],
LEU	197	CD1	9	1	1[O], 1[N], 7[C],
LEU	197	CB	6	1	1[O], 1[N], 4[C],
LEU	197	CA	4	1	3[C], 1[N],
LEU	197	CG	8	1	1[O], 1[N], 6[C],
Total = 282

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: G11_A_2(3IPH) / Model_11(3IPH/A) = [5.8]	Download	906.00	25.07	MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLLMCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSGLANMNEIAKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK
Consensus [pKd Mean = 5.80]	-	906 (s=0)	25 (s=0)	MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLLMCPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSGLANMNEIAKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK


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