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: FAD_C_3(1F0X) / Model_22(1F0X/A) = [13.5]	Download	458.40	6.31	MDDQKETIMQTFSPKAVIERLQNIVGRSYVLTDDQSTRQYRQGRRFGEGKVLAVVVPGTLLEQWQVLQAAIEAGCIVIMQAANTGLTGGSTPYGDDYDRPVLVMSTRRLKGIQVIHDGKQVICLPGATLDNLEQILKGYDREPHSVIGSSCIGASVLGGVCNNSGGALVRRGPAYTELALYAQVNAAGQLELVNHLGVNLGSTPEEILTRLEKQQYQAVDILDDNEKQASDHRYGHDVTQVDEDTPARFNADPSRLFEASGSAGKVCVFAVRLDTYEKVESSVFYIGSNDADDLTAIRRYLLTSLPSLPIAGEYIHRDAYLIGEKYGKDTFLFIEKFGTANVPKAFAMKDKVDGFLEKFKIKGLTDQILQAITFFLPSHLPKRMTEYRDRYEHHLVLRVENNSKAQTEQFLKEYFTVHQSGNYFVCSEEEGRKAFLHRFAIAGAAIRYRDTHRSEVEDIVALDIALRRNDREWVEQLPAEMEKKIIHKLYYGHFFCHVFHQDYILKKGHDPLEIEHQMWKLLDARRAEYPAEHNVGHLYIAKPALANFYQKLDPTNSFNVGIGHTSKLKYWGKAKS
Consensus [pKd Mean = 13.50]	-	458 (s=0)	6 (s=0)	MDDQKETIMQTFSPKAVIERLQNIVGRSYVLTDDQSTRQYRQGRRFGEGKVLAVVVPGTLLEQWQVLQAAIEAGCIVIMQAANTGLTGGSTPYGDDYDRPVLVMSTRRLKGIQVIHDGKQVICLPGATLDNLEQILKGYDREPHSVIGSSCIGASVLGGVCNNSGGALVRRGPAYTELALYAQVNAAGQLELVNHLGVNLGSTPEEILTRLEKQQYQAVDILDDNEKQASDHRYGHDVTQVDEDTPARFNADPSRLFEASGSAGKVCVFAVRLDTYEKVESSVFYIGSNDADDLTAIRRYLLTSLPSLPIAGEYIHRDAYLIGEKYGKDTFLFIEKFGTANVPKAFAMKDKVDGFLEKFKIKGLTDQILQAITFFLPSHLPKRMTEYRDRYEHHLVLRVENNSKAQTEQFLKEYFTVHQSGNYFVCSEEEGRKAFLHRFAIAGAAIRYRDTHRSEVEDIVALDIALRRNDREWVEQLPAEMEKKIIHKLYYGHFFCHVFHQDYILKKGHDPLEIEHQMWKLLDARRAEYPAEHNVGHLYIAKPALANFYQKLDPTNSFNVGIGHTSKLKYWGKAKS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	44	CZ	1	1	1[C],
ARG	44	CG	3	1	3[C],
ARG	44	CB	2	1	2[C],
ARG	44	NE	3	1	3[C],
ARG	44	CD	2	1	2[C],
GLN	63	NE2	3	1	1[C], 2[N],
GLN	63	OE1	1	1	1[N],
GLN	63	CD	1	1	1[N],
ILE	78	O	1	1	1[O],
ILE	78	CB	1	1	1[O],
ILE	78	CA	1	1	1[O],
ILE	78	CG2	2	1	1[O], 1[C],
ILE	78	C	1	1	1[O],
MET	79	C	15	1	9[C], 2[O], 4[N],
MET	79	CG	12	1	6[C], 1[O], 5[N],
MET	79	CA	12	1	7[C], 1[O], 4[N],
MET	79	CE	8	1	4[N], 4[C],
MET	79	N	7	1	2[N], 4[C], 1[O],
MET	79	CB	13	1	5[N], 1[O], 7[C],
MET	79	SD	7	1	3[N], 4[C],
MET	79	O	19	1	3[N], 1[P], 10[C], 5[O],
GLN	80	CD	1	1	1[O],
GLN	80	N	11	1	3[N], 2[O], 6[C],
GLN	80	CB	5	1	2[O], 2[C], 1[P],
GLN	80	C	11	1	2[N], 3[O], 5[C], 1[P],
GLN	80	O	4	1	1[N], 1[O], 2[C],
GLN	80	NE2	1	1	1[O],
GLN	80	CG	4	1	1[P], 3[O],
GLN	80	CA	13	1	1[P], 3[O], 7[C], 2[N],
ALA	81	CB	14	1	3[C], 7[O], 2[P], 2[N],
ALA	81	C	11	1	2[P], 2[C], 7[O],
ALA	81	N	16	1	2[P], 6[O], 6[C], 2[N],
ALA	81	O	11	1	2[P], 2[C], 7[O],
ALA	81	CA	12	1	3[C], 6[O], 2[P], 1[N],
ALA	82	C	7	1	5[O], 2[P],
ALA	82	O	7	1	5[O], 2[P],
ALA	82	CB	8	1	2[P], 6[O],
ALA	82	CA	7	1	2[P], 5[O],
ALA	82	N	7	1	2[P], 5[O],
ASN	83	N	11	1	7[O], 2[C], 2[P],
ASN	83	CA	8	1	2[P], 6[O],
ASN	83	O	5	1	1[P], 4[O],
ASN	83	CB	4	1	1[P], 3[O],
ASN	83	C	9	1	2[P], 1[C], 6[O],
ASN	83	CG	3	1	2[O], 1[P],
ASN	83	ND2	3	1	2[O], 1[P],
THR	84	N	14	1	8[O], 4[C], 2[P],
THR	84	OG1	21	1	9[C], 9[O], 2[P], 1[N],
THR	84	O	17	1	1[N], 4[O], 12[C],
THR	84	CB	21	1	1[N], 8[O], 10[C], 2[P],
THR	84	CA	17	1	6[O], 9[C], 2[P],
THR	84	C	19	1	2[P], 7[O], 9[C], 1[N],
THR	84	CG2	12	1	5[O], 6[C], 1[P],
GLY	85	CA	18	1	2[P], 8[O], 7[C], 1[N],
GLY	85	O	3	1	1[C], 2[O],
GLY	85	C	6	1	4[C], 2[O],
GLY	85	N	18	1	8[O], 8[C], 2[P],
LEU	86	CB	7	1	1[N], 5[C], 1[O],
LEU	86	CA	3	1	2[C], 1[O],
LEU	86	CD2	8	1	7[C], 1[N],
LEU	86	CD1	16	1	1[O], 12[C], 3[N],
LEU	86	N	7	1	1[N], 5[C], 1[O],
LEU	86	CG	12	1	1[N], 10[C], 1[O],
GLY	89	C	6	1	3[O], 3[C],
GLY	89	O	9	1	4[O], 5[C],
GLY	89	CA	2	1	1[O], 1[C],
SER	90	CA	10	1	1[P], 4[C], 5[O],
SER	90	O	7	1	4[O], 2[C], 1[P],
SER	90	CB	11	1	6[O], 4[C], 1[P],
SER	90	N	7	1	4[O], 3[C],
SER	90	OG	17	1	2[P], 6[C], 9[O],
SER	90	C	6	1	4[O], 2[C],
THR	106	OG1	5	1	3[C], 2[N],
THR	106	CG2	6	1	3[N], 3[C],
THR	106	CB	4	1	2[N], 2[C],
PRO	125	N	1	1	1[N],
PRO	125	CD	1	1	1[N],
PRO	125	CA	2	1	1[C], 1[N],
PRO	125	CB	4	1	2[N], 2[C],
PRO	125	C	1	1	1[N],
PRO	125	CG	2	1	1[C], 1[N],
PRO	125	O	2	1	2[N],
VAL	146	C	1	1	1[O],
VAL	146	O	3	1	1[O], 1[C], 1[N],
ILE	147	N	3	1	1[N], 1[O], 1[C],
ILE	147	O	6	1	1[N], 4[C], 1[O],
ILE	147	CB	15	1	4[N], 4[O], 7[C],
ILE	147	C	8	1	5[C], 1[O], 2[N],
ILE	147	CG1	16	1	4[N], 8[C], 4[O],
ILE	147	CA	9	1	1[O], 5[C], 3[N],
ILE	147	CG2	13	1	4[N], 4[O], 5[C],
ILE	147	CD1	21	1	6[O], 11[C], 4[N],
GLY	148	CA	13	1	9[C], 1[O], 3[N],
GLY	148	O	8	1	1[N], 7[C],
GLY	148	C	13	1	1[O], 10[C], 2[N],
GLY	148	N	13	1	1[O], 8[C], 4[N],
SER	149	CA	13	1	11[C], 2[N],
SER	149	CB	20	1	14[C], 3[O], 3[N],
SER	149	N	16	1	12[C], 2[O], 2[N],
SER	149	OG	26	1	4[N], 17[C], 5[O],
SER	149	C	5	1	5[C],
ILE	152	CG1	4	1	4[C],
ILE	152	CD1	6	1	6[C],
GLY	153	C	2	1	2[O],
GLY	153	O	3	1	2[O], 1[P],
ALA	154	C	7	1	4[O], 2[C], 1[P],
ALA	154	CB	11	1	1[P], 4[C], 6[O],
ALA	154	O	3	1	1[P], 2[O],
ALA	154	N	4	1	3[O], 1[P],
ALA	154	CA	8	1	5[O], 2[C], 1[P],
SER	155	C	3	1	1[P], 2[O],
SER	155	CA	5	1	1[P], 4[O],
SER	155	N	8	1	2[C], 5[O], 1[P],
SER	155	CB	5	1	4[O], 1[P],
SER	155	OG	11	1	1[N], 2[P], 3[C], 5[O],
SER	155	O	7	1	1[P], 4[O], 2[C],
VAL	156	N	1	1	1[O],
LEU	157	CD1	5	1	3[N], 2[C],
LEU	157	CG	2	1	1[N], 1[C],
LEU	157	CA	3	1	2[N], 1[C],
LEU	157	C	10	1	4[C], 3[O], 3[N],
LEU	157	CB	6	1	3[C], 3[N],
LEU	157	CD2	1	1	1[N],
LEU	157	O	8	1	2[N], 1[O], 5[C],
GLY	158	O	17	1	1[N], 2[P], 8[C], 6[O],
GLY	158	CA	20	1	2[N], 2[P], 8[O], 8[C],
GLY	158	C	17	1	2[P], 6[O], 7[C], 2[N],
GLY	158	N	13	1	2[N], 5[C], 5[O], 1[P],
GLY	159	CA	5	1	2[C], 3[O],
GLY	159	N	9	1	1[P], 3[C], 5[O],
GLY	159	O	1	1	1[O],
GLY	159	C	1	1	1[O],
CYS	161	SG	14	1	5[N], 1[O], 8[C],
CYS	161	CA	6	1	2[N], 1[O], 3[C],
CYS	161	O	4	1	2[C], 2[O],
CYS	161	N	1	1	1[O],
CYS	161	CB	16	1	4[N], 2[O], 10[C],
CYS	161	C	4	1	2[O], 2[C],
ASN	162	OD1	18	1	1[P], 8[C], 9[O],
ASN	162	N	2	1	1[C], 1[O],
ASN	162	CG	11	1	6[C], 5[O],
ASN	162	ND2	8	1	5[C], 3[O],
ASN	162	CA	2	1	1[O], 1[C],
ASN	162	CB	8	1	3[O], 5[C],
ASN	163	O	1	1	1[O],
ASN	163	C	1	1	1[O],
SER	164	N	2	1	1[O], 1[C],
SER	164	CA	6	1	2[N], 3[O], 1[C],
SER	164	CB	10	1	2[N], 3[O], 5[C],
SER	164	C	4	1	2[N], 1[C], 1[O],
SER	164	O	2	1	1[C], 1[O],
SER	164	OG	6	1	3[O], 1[C], 2[N],
GLY	165	O	7	1	2[N], 2[O], 3[C],
GLY	165	C	6	1	2[O], 2[C], 2[N],
GLY	165	CA	5	1	1[N], 2[C], 2[O],
GLY	165	N	6	1	2[C], 2[O], 2[N],
GLY	166	O	3	1	1[N], 1[O], 1[C],
GLY	166	C	3	1	1[O], 1[C], 1[N],
GLY	166	CA	6	1	1[N], 2[O], 3[C],
GLY	166	N	5	1	1[N], 2[C], 2[O],
ALA	167	N	1	1	1[O],
SER	262	C	1	1	1[N],
SER	262	CB	2	1	1[C], 1[N],
SER	262	OG	4	1	2[C], 2[N],
ALA	263	O	9	1	2[N], 3[O], 4[C],
ALA	263	CA	9	1	3[O], 4[C], 2[N],
ALA	263	C	11	1	3[O], 6[C], 2[N],
ALA	263	CB	3	1	1[C], 2[O],
ALA	263	N	5	1	1[N], 2[C], 2[O],
GLY	264	CA	14	1	3[N], 8[C], 3[O],
GLY	264	O	4	1	2[C], 1[O], 1[N],
GLY	264	C	8	1	2[N], 4[C], 2[O],
GLY	264	N	14	1	3[O], 8[C], 3[N],
LYS	265	N	3	1	1[N], 1[C], 1[O],
VAL	266	N	2	1	1[C], 1[N],
VAL	266	C	4	1	2[C], 2[N],
VAL	266	CA	3	1	2[N], 1[C],
VAL	266	CB	1	1	1[C],
VAL	266	CG2	3	1	1[C], 2[N],
VAL	266	O	7	1	3[N], 4[C],
CYS	267	N	4	1	2[C], 2[N],
CYS	267	C	5	1	3[N], 2[C],
CYS	267	CB	3	1	2[C], 1[N],
CYS	267	CA	5	1	3[N], 2[C],
CYS	267	SG	2	1	1[C], 1[N],
CYS	267	O	4	1	2[N], 2[C],
VAL	268	CG1	4	1	2[N], 2[C],
VAL	268	C	5	1	2[N], 3[C],
VAL	268	CB	7	1	4[C], 3[N],
VAL	268	O	6	1	3[N], 3[C],
VAL	268	CA	6	1	3[C], 3[N],
VAL	268	N	7	1	4[C], 3[N],
VAL	268	CG2	7	1	4[C], 3[N],
PHE	269	CA	1	1	1[N],
PHE	269	N	3	1	2[N], 1[C],
PHE	439	C	1	1	1[C],
PHE	439	CE2	1	1	1[O],
PHE	439	CD2	1	1	1[O],
ALA	440	N	3	1	3[C],
ALA	440	C	1	1	1[C],
ALA	440	CA	1	1	1[C],
ALA	442	C	1	1	1[C],
ALA	442	CA	2	1	2[C],
ALA	442	CB	7	1	7[C],
ALA	442	N	1	1	1[C],
GLY	443	CA	1	1	1[C],
GLY	443	N	2	1	2[C],
HIS	493	ND1	2	1	1[C], 1[O],
HIS	493	NE2	5	1	1[N], 1[O], 3[C],
HIS	493	CG	1	1	1[O],
HIS	493	CE1	4	1	1[N], 1[O], 2[C],
HIS	493	CD2	3	1	1[N], 1[C], 1[O],
HIS	500	NE2	5	1	2[C], 1[O], 2[N],
HIS	500	CE1	3	1	1[N], 1[O], 1[C],
HIS	500	CD2	1	1	1[O],
GLU	532	CA	4	1	2[N], 1[C], 1[O],
GLU	532	N	1	1	1[O],
GLU	532	CB	5	1	2[N], 1[O], 2[C],
GLU	532	CD	9	1	4[C], 2[O], 3[N],
GLU	532	OE2	8	1	2[N], 4[C], 2[O],
GLU	532	OE1	11	1	5[C], 2[O], 4[N],
GLU	532	CG	8	1	2[N], 4[C], 2[O],
GLU	532	O	4	1	2[N], 1[O], 1[C],
GLU	532	C	4	1	2[N], 1[O], 1[C],
HIS	533	ND1	4	1	2[C], 2[N],
HIS	533	CB	3	1	1[N], 1[O], 1[C],
HIS	533	CD2	16	1	9[C], 3[O], 4[N],
HIS	533	CA	4	1	1[O], 2[C], 1[N],
HIS	533	CG	9	1	3[N], 1[O], 5[C],
HIS	533	CE1	11	1	7[C], 4[N],
HIS	533	N	3	1	1[O], 1[C], 1[N],
HIS	533	NE2	17	1	3[O], 10[C], 4[N],
ASN	534	ND2	1	1	1[O],
ASN	559	ND2	6	1	4[C], 2[O],
ASN	559	CB	2	1	2[O],
ASN	559	CG	4	1	2[O], 2[C],
ASN	559	OD1	2	1	2[O],
ILE	562	CD1	1	1	1[O],
Total = 238


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