Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	14	CE2	8	1	1[O], 6[C], 1[N],
PHE	14	CD2	4	1	1[O], 1[N], 2[C],
PHE	14	CE1	10	1	7[C], 2[N], 1[O],
PHE	14	CD1	5	1	1[O], 3[C], 1[N],
PHE	14	CG	2	1	1[C], 1[O],
PHE	14	CZ	13	1	3[N], 9[C], 1[O],
ASP	15	O	1	1	1[O],
MET	16	CB	1	1	1[O],
MET	16	CA	1	1	1[O],
MET	16	CE	5	1	2[O], 1[N], 2[C],
MET	16	SD	5	1	1[O], 3[C], 1[N],
MET	16	CG	3	1	1[O], 1[N], 1[C],
HIS	21	CD2	3	1	1[N], 1[C], 1[O],
HIS	21	ND1	1	1	1[O],
HIS	21	NE2	7	1	1[O], 2[N], 4[C],
HIS	21	CE1	3	1	1[C], 1[N], 1[O],
HIS	21	CG	1	1	1[O],
ILE	22	CD1	4	1	1[N], 2[C], 1[O],
PHE	59	CE1	3	1	1[O], 1[C], 1[N],
PHE	59	CE2	11	1	2[N], 8[C], 1[O],
PHE	59	CZ	9	1	7[C], 1[N], 1[O],
PHE	59	O	1	1	1[O],
PHE	59	CD2	6	1	4[C], 1[N], 1[O],
ILE	60	N	1	1	1[O],
ILE	60	CB	1	1	1[O],
ILE	60	C	5	1	2[N], 2[C], 1[O],
ILE	60	O	5	1	1[O], 2[N], 2[C],
ILE	60	CG2	1	1	1[O],
ILE	60	CA	1	1	1[O],
ALA	61	N	5	1	2[C], 2[N], 1[O],
ALA	61	C	10	1	2[O], 3[N], 5[C],
ALA	61	O	6	1	3[C], 2[N], 1[O],
ALA	61	CB	13	1	2[O], 7[C], 4[N],
ALA	61	CA	11	1	2[O], 3[N], 6[C],
ASP	62	CB	7	1	3[C], 2[N], 2[O],
ASP	62	C	9	1	2[O], 3[N], 4[C],
ASP	62	CA	9	1	3[N], 4[C], 2[O],
ASP	62	OD1	4	1	2[O], 1[C], 1[N],
ASP	62	OD2	5	1	1[N], 2[C], 2[O],
ASP	62	N	11	1	2[O], 4[N], 5[C],
ASP	62	O	15	1	4[O], 7[C], 4[N],
ASP	62	CG	5	1	2[C], 1[N], 2[O],
ILE	63	O	3	1	1[O], 1[C], 1[N],
ILE	63	CG2	12	1	3[O], 5[C], 4[N],
ILE	63	CG1	6	1	2[C], 2[N], 2[O],
ILE	63	N	8	1	4[C], 2[N], 2[O],
ILE	63	CB	8	1	2[N], 4[C], 2[O],
ILE	63	C	5	1	2[O], 2[C], 1[N],
ILE	63	CA	8	1	4[C], 2[N], 2[O],
ILE	63	CD1	4	1	1[N], 2[C], 1[O],
THR	64	C	1	1	1[O],
THR	64	CA	1	1	1[O],
THR	64	OG1	1	1	1[O],
THR	64	CG2	1	1	1[O],
THR	64	CB	1	1	1[O],
THR	64	N	3	1	1[O], 1[C], 1[N],
GLY	65	N	1	1	1[O],
TYR	67	CE2	3	1	1[O], 1[N], 1[C],
TYR	67	CZ	5	1	2[N], 2[C], 1[O],
GLN	83	CD	5	1	1[O], 3[C], 1[N],
GLN	83	OE1	9	1	2[O], 4[C], 3[N],
GLN	83	NE2	5	1	1[O], 2[C], 2[N],
VAL	107	C	1	1	1[O],
THR	108	CA	8	1	2[O], 3[C], 3[N],
THR	108	OG1	14	1	4[N], 7[C], 3[O],
THR	108	O	5	1	2[C], 1[N], 2[O],
THR	108	CG2	18	1	4[O], 10[C], 4[N],
THR	108	C	6	1	3[C], 1[N], 2[O],
THR	108	CB	12	1	5[C], 4[N], 3[O],
THR	108	N	3	1	1[N], 1[C], 1[O],
VAL	109	N	5	1	2[O], 1[N], 2[C],
VAL	109	O	3	1	1[N], 1[C], 1[O],
VAL	109	CA	2	1	1[O], 1[N],
VAL	109	C	3	1	1[N], 1[C], 1[O],
ASN	110	CB	5	1	1[C], 2[N], 2[O],
ASN	110	CG	6	1	2[O], 2[N], 2[C],
ASN	110	OD1	6	1	3[C], 3[O],
ASN	110	N	3	1	1[O], 1[N], 1[C],
ASN	110	ND2	7	1	2[O], 2[N], 3[C],
ASN	110	CA	4	1	2[O], 1[C], 1[N],
SER	112	OG	2	1	1[O], 1[C],
TYR	113	CE2	1	1	1[O],
ASN	137	O	10	1	3[N], 4[C], 3[O],
ASN	137	C	5	1	1[N], 2[C], 2[O],
ASN	137	OD1	17	1	2[O], 11[C], 4[N],
ASN	137	ND2	22	1	4[O], 4[N], 14[C],
ASN	137	CG	18	1	2[O], 12[C], 4[N],
ASN	137	CA	1	1	1[O],
ASN	137	CB	8	1	4[C], 2[N], 2[O],
ILE	138	O	20	1	12[C], 4[N], 4[O],
ILE	138	CG2	1	1	1[O],
ILE	138	N	1	1	1[O],
ILE	138	CB	1	1	1[O],
ILE	138	CA	1	1	1[O],
ILE	138	C	13	1	3[O], 7[C], 3[N],
VAL	139	CB	23	1	6[O], 13[C], 4[N],
VAL	139	CA	22	1	4[N], 12[C], 6[O],
VAL	139	N	17	1	4[N], 9[C], 4[O],
VAL	139	CG1	21	1	5[O], 4[N], 12[C],
VAL	139	O	12	1	3[O], 2[N], 7[C],
VAL	139	CG2	26	1	4[N], 16[C], 6[O],
VAL	139	C	18	1	3[N], 10[C], 5[O],
THR	140	O	12	1	6[C], 1[N], 5[O],
THR	140	N	20	1	1[P], 6[O], 3[N], 10[C],
THR	140	CA	17	1	1[P], 6[O], 3[N], 7[C],
THR	140	OG1	18	1	1[P], 8[O], 7[C], 2[N],
THR	140	C	15	1	5[O], 3[N], 7[C],
THR	140	CB	14	1	7[O], 1[P], 1[N], 5[C],
THR	140	CG2	10	1	4[C], 1[P], 5[O],
GLY	141	N	21	1	3[N], 10[C], 7[O], 1[P],
GLY	141	CA	17	1	5[O], 3[N], 9[C],
GLY	141	O	17	1	1[P], 7[O], 7[C], 2[N],
GLY	141	C	17	1	7[C], 3[N], 1[P], 6[O],
TYR	142	CE1	19	1	11[C], 3[N], 5[O],
TYR	142	CG	22	1	7[O], 1[P], 11[C], 3[N],
TYR	142	CB	18	1	1[P], 7[O], 3[N], 7[C],
TYR	142	C	9	1	5[C], 1[N], 3[O],
TYR	142	CZ	24	1	6[O], 4[N], 14[C],
TYR	142	N	15	1	5[O], 3[N], 7[C],
TYR	142	CD2	26	1	1[P], 8[O], 4[N], 13[C],
TYR	142	CE2	28	1	4[N], 15[C], 8[O], 1[P],
TYR	142	CD1	17	1	9[C], 3[N], 5[O],
TYR	142	CA	15	1	2[N], 7[C], 6[O],
TYR	142	O	6	1	3[O], 3[C],
LEU	143	CB	2	1	1[C], 1[O],
LEU	143	CD1	5	1	2[O], 1[C], 2[N],
LEU	143	N	7	1	1[N], 3[C], 3[O],
LEU	143	CD2	2	1	1[C], 1[O],
LEU	143	CG	6	1	3[O], 2[N], 1[C],
LEU	143	CA	2	1	2[O],
HIS	158	O	6	1	1[P], 3[O], 2[C],
HIS	158	CB	7	1	1[P], 4[O], 2[C],
HIS	158	CA	5	1	1[P], 2[O], 2[C],
HIS	158	CE1	11	1	4[C], 6[O], 1[P],
HIS	158	CD2	8	1	5[O], 1[P], 2[C],
HIS	158	NE2	9	1	1[P], 5[O], 3[C],
HIS	158	ND1	11	1	4[C], 1[P], 6[O],
HIS	158	C	5	1	2[C], 2[O], 1[P],
HIS	158	CG	8	1	1[P], 5[O], 2[C],
ASP	159	N	1	1	1[O],
ASP	159	OD1	3	1	2[O], 1[P],
ARG	161	CB	2	1	2[C],
ARG	161	NE	1	1	1[C],
ARG	161	CD	5	1	3[C], 2[O],
ARG	161	CG	2	1	2[C],
ARG	161	CZ	1	1	1[C],
TYR	162	CE2	12	1	1[P], 7[O], 4[C],
TYR	162	CD1	10	1	4[C], 1[P], 5[O],
TYR	162	CE1	13	1	5[C], 7[O], 1[P],
TYR	162	CB	2	1	1[C], 1[O],
TYR	162	CG	7	1	3[C], 1[P], 3[O],
TYR	162	CD2	10	1	4[C], 1[P], 5[O],
TYR	162	CZ	13	1	7[O], 1[P], 5[C],
GLN	230	NE2	10	1	5[C], 4[O], 1[P],
GLN	230	O	12	1	1[O], 2[N], 9[C],
GLN	230	C	14	1	1[O], 2[N], 11[C],
GLN	230	CB	1	1	1[O],
GLN	230	CG	3	1	1[C], 2[O],
GLN	230	CD	11	1	4[O], 1[P], 6[C],
GLN	230	CA	1	1	1[O],
GLN	230	OE1	17	1	1[P], 6[O], 9[C], 1[N],
ALA	231	C	30	1	8[O], 1[P], 4[N], 17[C],
ALA	231	O	31	1	17[C], 4[N], 9[O], 1[P],
ALA	231	CB	29	1	4[N], 17[C], 1[P], 7[O],
ALA	231	CA	28	1	4[N], 17[C], 6[O], 1[P],
ALA	231	N	23	1	5[O], 15[C], 3[N],
GLY	232	N	26	1	15[C], 3[N], 7[O], 1[P],
GLY	232	O	19	1	1[P], 6[O], 1[N], 11[C],
GLY	232	C	23	1	14[C], 1[N], 1[P], 7[O],
GLY	232	CA	26	1	15[C], 3[N], 7[O], 1[P],
ALA	233	N	21	1	1[P], 6[O], 13[C], 1[N],
ALA	233	C	9	1	4[C], 4[O], 1[P],
ALA	233	CA	17	1	1[P], 6[O], 10[C],
ALA	233	CB	14	1	9[C], 1[P], 4[O],
ALA	233	O	6	1	1[P], 4[O], 1[C],
SER	234	OG	10	1	1[P], 5[O], 4[C],
SER	234	CB	8	1	5[O], 1[P], 2[C],
SER	234	N	12	1	5[O], 1[P], 6[C],
SER	234	C	6	1	1[C], 4[O], 1[P],
SER	234	O	6	1	1[C], 1[P], 4[O],
SER	234	CA	6	1	1[P], 4[O], 1[C],
PRO	235	CB	1	1	1[O],
PRO	235	N	4	1	3[O], 1[P],
PRO	235	O	1	1	1[O],
PRO	235	CG	1	1	1[O],
PRO	235	C	4	1	1[P], 3[O],
PRO	235	CD	4	1	3[O], 1[P],
PRO	235	CA	4	1	1[P], 3[O],
LYS	236	O	2	1	1[O], 1[P],
LYS	236	C	5	1	4[O], 1[P],
LYS	236	CB	3	1	1[P], 2[O],
LYS	236	N	4	1	1[P], 3[O],
LYS	236	CG	1	1	1[O],
LYS	236	CA	3	1	2[O], 1[P],
GLY	237	CA	6	1	1[C], 4[O], 1[P],
GLY	237	O	4	1	1[P], 3[O],
GLY	237	C	6	1	1[C], 1[P], 4[O],
GLY	237	N	6	1	4[O], 1[P], 1[C],
MET	238	CA	1	1	1[O],
MET	238	CB	1	1	1[O],
MET	238	CG	2	1	2[O],
MET	238	N	5	1	4[O], 1[P],
PHE	240	CB	1	1	1[O],
VAL	248	CG1	2	1	2[C],
VAL	248	O	1	1	1[C],
VAL	248	C	2	1	2[C],
PHE	249	CB	11	1	2[N], 9[C],
PHE	249	O	15	1	2[O], 2[N], 11[C],
PHE	249	N	7	1	7[C],
PHE	249	CD1	15	1	2[N], 11[C], 2[O],
PHE	249	CG	12	1	1[O], 9[C], 2[N],
PHE	249	CD2	9	1	8[C], 1[N],
PHE	249	C	9	1	8[C], 1[N],
PHE	249	CA	9	1	8[C], 1[N],
PHE	249	CZ	13	1	10[C], 2[N], 1[O],
PHE	249	CE1	14	1	1[O], 11[C], 2[N],
PHE	249	CE2	9	1	8[C], 1[N],
ILE	250	O	7	1	7[C],
ILE	250	CA	7	1	7[C],
ILE	250	CG1	2	1	2[C],
ILE	250	CD1	4	1	4[C],
ILE	250	CG2	4	1	4[C],
ILE	250	C	8	1	8[C],
ILE	250	CB	4	1	4[C],
ILE	250	N	8	1	8[C],
GLY	251	CA	8	1	8[C],
GLY	251	C	4	1	4[C],
GLY	251	N	8	1	8[C],
GLY	251	O	4	1	4[C],
GLY	252	N	4	1	4[C],
GLY	252	CA	1	1	1[C],
GLN	261	NE2	1	1	1[C],
GLN	261	OE1	2	1	2[C],
GLN	261	CD	1	1	1[C],
PHE	282	C	1	1	1[C],
PHE	282	O	2	1	2[C],
VAL	283	O	1	1	1[C],
VAL	283	N	1	1	1[C],
VAL	283	C	1	1	1[C],
VAL	283	CA	1	1	1[C],
GLY	284	CA	1	1	1[C],
GLY	284	N	2	1	2[C],
HIS	315	NE2	2	1	1[N], 1[C],
SER	318	O	1	1	1[O],
SER	318	C	1	1	1[O],
SER	319	CB	6	1	1[O], 1[N], 4[C],
SER	319	N	1	1	1[O],
SER	319	CA	4	1	2[N], 1[C], 1[O],
SER	319	O	13	1	1[N], 6[C], 5[O], 1[P],
SER	319	C	3	1	2[C], 1[O],
THR	320	N	1	1	1[O],
ARG	367	C	1	1	1[C],
ARG	367	CZ	16	1	3[O], 11[C], 2[N],
ARG	367	CB	5	1	5[C],
ARG	367	NE	11	1	1[N], 9[C], 1[O],
ARG	367	O	1	1	1[C],
ARG	367	CA	1	1	1[C],
ARG	367	CG	5	1	5[C],
ARG	367	CD	8	1	8[C],
TYR	368	CE2	6	1	6[C],
TYR	368	CZ	9	1	1[N], 8[C],
TYR	368	CE1	7	1	6[C], 1[N],
TYR	368	CD1	3	1	3[C],
TYR	368	CD2	3	1	3[C],
TYR	368	CG	2	1	2[C],
ASN	395	CB	1	1	1[C],
ASN	395	ND2	5	1	4[C], 1[N],
ASN	395	CG	1	1	1[C],
Total = 268

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: FMN_B_4(3B9O) / Model_21(3B9O/B) = [6.4]	Download	1051.69	20.50	MADFKAKEILLNAFDMNCVGHINHGLWTHPRDESHRFNELSYWTEQAKTLENGLFDGLFIADITGVYDVYQNGIDLTLKESIQLPSHDPSTLISAMAAVTQNLSFGVTVNLSYEHPYQFARRFASLDHLTQGRIGWNIVTGYLDSAERLIGQKGLKDHDARYEQAEEFLELCYKYWEGSWENDAVKKDKARRVFTDPSKVHTIHHHGKYYQSEGVFQVSPSVQRTPTLFQAGASPKGMQFATRHAECVFIGGDKPEKIREQVKKIRTLAEQQGRSANDIKVFVGITVVVAETHDLAVQKLNEYRQYASPEAGLAHYASSTGIDLSKFADDEAIPYQKSNSIVSITEKFKEQQITKNDLKAQHVLGGRYPLIVGSGEEVAEYLIHLLDETDIDGFNLTRTVAPESHHDFIRLVIPELQQHGRYKTAYKTGSLRNKIFNRGDHLPEQHPVQAFRCSPYNNSKNLTKIEEITA
Consensus [pKd Mean = 6.40]	-	1051 (s=0)	20 (s=0)	MADFKAKEILLNAFDMNCVGHINHGLWTHPRDESHRFNELSYWTEQAKTLENGLFDGLFIADITGVYDVYQNGIDLTLKESIQLPSHDPSTLISAMAAVTQNLSFGVTVNLSYEHPYQFARRFASLDHLTQGRIGWNIVTGYLDSAERLIGQKGLKDHDARYEQAEEFLELCYKYWEGSWENDAVKKDKARRVFTDPSKVHTIHHHGKYYQSEGVFQVSPSVQRTPTLFQAGASPKGMQFATRHAECVFIGGDKPEKIREQVKKIRTLAEQQGRSANDIKVFVGITVVVAETHDLAVQKLNEYRQYASPEAGLAHYASSTGIDLSKFADDEAIPYQKSNSIVSITEKFKEQQITKNDLKAQHVLGGRYPLIVGSGEEVAEYLIHLLDETDIDGFNLTRTVAPESHHDFIRLVIPELQQHGRYKTAYKTGSLRNKIFNRGDHLPEQHPVQAFRCSPYNNSKNLTKIEEITA


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