Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
THR	23	OG1	3	1	3[C],
THR	23	CB	3	1	3[C],
THR	23	CG2	6	1	1[N], 5[C],
ASN	35	CG	5	1	1[P], 4[O],
ASN	35	CB	3	1	1[P], 2[O],
ASN	35	OD1	4	1	3[O], 1[P],
ASN	35	ND2	6	1	4[O], 1[C], 1[P],
VAL	36	C	4	1	1[P], 3[O],
VAL	36	O	6	1	3[O], 2[C], 1[P],
VAL	36	N	1	1	1[O],
MET	37	CE	22	1	1[P], 10[C], 7[O], 4[N],
MET	37	CB	13	1	7[O], 5[C], 1[P],
MET	37	SD	16	1	6[O], 2[N], 1[P], 7[C],
MET	37	N	6	1	4[O], 1[C], 1[P],
MET	37	CA	10	1	1[P], 4[C], 5[O],
MET	37	C	5	1	3[C], 2[O],
MET	37	O	1	1	1[O],
MET	37	CG	9	1	1[P], 4[C], 3[O], 1[N],
ALA	38	C	20	1	4[N], 2[O], 14[C],
ALA	38	CB	15	1	12[C], 1[O], 2[N],
ALA	38	CA	15	1	2[N], 1[O], 12[C],
ALA	38	N	16	1	12[C], 2[O], 2[N],
ALA	38	O	24	1	3[O], 4[N], 17[C],
ALA	39	CA	15	1	9[C], 4[N], 2[O],
ALA	39	C	12	1	8[C], 1[O], 3[N],
ALA	39	N	18	1	12[C], 4[N], 2[O],
ALA	39	O	6	1	4[C], 1[N], 1[O],
ALA	39	CB	13	1	7[C], 2[O], 4[N],
ALA	40	O	1	1	1[O],
ALA	40	CA	8	1	1[N], 1[O], 6[C],
ALA	40	N	14	1	10[C], 1[O], 3[N],
ALA	40	C	6	1	4[C], 1[N], 1[O],
ALA	40	CB	9	1	7[C], 1[N], 1[O],
TRP	41	CB	5	1	2[N], 1[O], 2[C],
TRP	41	N	6	1	1[O], 2[N], 3[C],
TRP	41	CZ3	3	1	1[O], 1[N], 1[C],
TRP	41	CE2	2	1	1[C], 1[O],
TRP	41	O	3	1	1[O], 1[N], 1[C],
TRP	41	CG	5	1	2[N], 1[O], 2[C],
TRP	41	CD2	5	1	2[N], 1[O], 2[C],
TRP	41	NE1	3	1	1[C], 1[O], 1[N],
TRP	41	C	2	1	1[O], 1[C],
TRP	41	CD1	4	1	1[O], 1[N], 2[C],
TRP	41	CA	5	1	2[C], 1[O], 2[N],
TRP	41	CE3	3	1	1[N], 1[O], 1[C],
ALA	42	N	1	1	1[O],
VAL	54	CG2	3	1	1[C], 1[O], 1[N],
VAL	55	O	8	1	2[N], 2[O], 4[C],
VAL	55	C	6	1	2[O], 2[N], 2[C],
VAL	55	CG1	5	1	2[C], 1[N], 2[O],
VAL	55	CG2	1	1	1[O],
VAL	55	CA	5	1	1[N], 2[O], 2[C],
VAL	55	N	3	1	1[C], 1[N], 1[O],
VAL	55	CB	5	1	2[C], 1[N], 2[O],
LEU	56	N	5	1	2[O], 1[N], 2[C],
LEU	56	CA	5	1	2[C], 2[N], 1[O],
LEU	56	CD2	3	1	1[N], 1[O], 1[C],
LEU	56	O	2	1	1[O], 1[C],
LEU	56	C	4	1	1[C], 1[O], 2[N],
LEU	56	CB	3	1	1[C], 1[O], 1[N],
LEU	56	CG	3	1	1[C], 1[N], 1[O],
ASP	57	CG	2	1	1[O], 1[C],
ASP	57	OD1	1	1	1[O],
ASP	57	CA	4	1	1[C], 2[N], 1[O],
ASP	57	N	4	1	1[C], 1[O], 2[N],
ASP	57	CB	4	1	1[C], 2[N], 1[O],
ASP	57	OD2	1	1	1[O],
ASP	57	C	1	1	1[O],
ASP	57	O	1	1	1[O],
SER	59	OG	1	1	1[O],
SER	59	C	1	1	1[O],
SER	59	O	3	1	1[P], 2[O],
THR	60	O	3	1	2[O], 1[P],
THR	60	CB	11	1	6[O], 4[C], 1[P],
THR	60	CA	7	1	1[P], 1[C], 5[O],
THR	60	C	6	1	1[C], 1[P], 4[O],
THR	60	OG1	7	1	2[C], 1[P], 4[O],
THR	60	CG2	16	1	1[P], 7[C], 7[O], 1[N],
THR	60	N	5	1	1[C], 1[P], 3[O],
LYS	61	CA	5	1	4[O], 1[P],
LYS	61	N	6	1	1[P], 1[C], 4[O],
LYS	61	CB	5	1	1[P], 4[O],
LYS	61	O	3	1	2[O], 1[P],
LYS	61	C	4	1	3[O], 1[P],
LYS	61	CG	4	1	3[O], 1[P],
THR	62	O	1	1	1[O],
THR	62	CG2	1	1	1[O],
THR	62	CB	6	1	1[C], 1[P], 4[O],
THR	62	CA	4	1	3[O], 1[P],
THR	62	N	6	1	1[P], 1[C], 4[O],
THR	62	OG1	6	1	4[O], 1[C], 1[P],
THR	62	C	1	1	1[O],
ARG	63	N	1	1	1[O],
THR	85	O	5	1	5[C],
THR	85	C	3	1	3[C],
THR	85	CG2	3	1	3[C],
THR	85	CB	1	1	1[C],
LYS	86	CA	3	1	3[C],
LYS	86	CB	1	1	1[C],
LYS	86	C	2	1	2[C],
LYS	86	CG	1	1	1[C],
LYS	86	N	2	1	2[C],
LYS	86	O	3	1	3[C],
GLN	87	O	1	1	1[O],
GLN	87	N	1	1	1[C],
LEU	88	CA	3	1	2[O], 1[C],
LEU	88	O	11	1	4[C], 1[P], 6[O],
LEU	88	C	9	1	3[O], 6[C],
GLY	89	C	15	1	4[O], 1[N], 10[C],
GLY	89	N	13	1	3[O], 10[C],
GLY	89	CA	18	1	4[O], 1[N], 13[C],
GLY	89	O	16	1	12[C], 3[O], 1[N],
ILE	90	N	11	1	3[O], 8[C],
ILE	90	C	3	1	2[C], 1[O],
ILE	90	O	1	1	1[O],
ILE	90	CG2	2	1	2[C],
ILE	90	CB	2	1	1[O], 1[C],
ILE	90	CA	4	1	3[C], 1[O],
ILE	91	CG2	1	1	1[O],
ILE	91	CB	1	1	1[O],
ILE	91	CA	3	1	2[O], 1[C],
ILE	91	C	8	1	4[O], 1[P], 3[C],
ILE	91	N	5	1	2[O], 3[C],
ILE	91	O	10	1	1[P], 3[C], 6[O],
SER	92	O	3	1	2[O], 1[P],
SER	92	CA	8	1	5[O], 2[C], 1[P],
SER	92	OG	8	1	5[O], 1[P], 2[C],
SER	92	C	6	1	5[O], 1[P],
SER	92	N	7	1	1[P], 2[C], 4[O],
SER	92	CB	8	1	5[O], 1[P], 2[C],
LYS	93	C	3	1	2[O], 1[P],
LYS	93	CD	1	1	1[O],
LYS	93	CA	3	1	2[O], 1[P],
LYS	93	CG	1	1	1[O],
LYS	93	N	7	1	5[O], 1[P], 1[C],
LYS	93	CB	4	1	3[O], 1[P],
LEU	94	CB	1	1	1[O],
LEU	94	N	3	1	1[P], 2[O],
LYS	99	CB	1	1	1[O],
LYS	99	CD	3	1	1[P], 2[O],
LYS	99	NZ	9	1	1[P], 3[C], 5[O],
LYS	99	CE	7	1	2[C], 1[P], 4[O],
LYS	99	CG	1	1	1[O],
TYR	175	CB	4	1	4[C],
TYR	175	CA	1	1	1[C],
TYR	175	N	1	1	1[C],
TYR	175	CD1	5	1	5[C],
TYR	175	CD2	9	1	1[N], 8[C],
TYR	175	CZ	7	1	7[C],
TYR	175	CE2	9	1	8[C], 1[N],
TYR	175	CE1	5	1	5[C],
TYR	175	CG	6	1	6[C],
GLY	178	O	1	1	1[C],
PHE	181	CD2	1	1	1[C],
PHE	181	CE1	2	1	2[C],
PHE	181	CD1	1	1	1[C],
PHE	181	CE2	5	1	5[C],
PHE	181	CZ	4	1	4[C],
PHE	181	CG	1	1	1[C],
Total = 159

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FMN_A_2(3HMZ) / Model_32(3HMZ/A) = [9.9]	Download	1121.13	29.81	MSQSYIAPVELEKAYRLLNHGPTVLVSAQHGDDRNVMAAAWACALEFKPAKVTVVLDKSTKTRQLVEQSGYFTLQVPCYAQLNMTKQLGIISKLDDPQKLEHCGVELFYQKDLTSPLVSGCIAWLVCKLIPEPHNQSAHDLFIGSVVGAWADSRVFRDGHWHFQDAPKELRSLHYIAGGTFYLIGEEVKADL
Consensus [pKd Mean = 9.90]	-	1121 (s=0)	29 (s=0)	MSQSYIAPVELEKAYRLLNHGPTVLVSAQHGDDRNVMAAAWACALEFKPAKVTVVLDKSTKTRQLVEQSGYFTLQVPCYAQLNMTKQLGIISKLDDPQKLEHCGVELFYQKDLTSPLVSGCIAWLVCKLIPEPHNQSAHDLFIGSVVGAWADSRVFRDGHWHFQDAPKELRSLHYIAGGTFYLIGEEVKADL


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