Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_A_11(1EYZ) / Model_1(1EYZ/A) = [6.8]	Download	1197.62	1.35	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS
Complex: ACP_A_11(1KJI) / Model_5(1KJI/A) = [6.8]	Download	1333.60	2.33	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS
Complex: AGS_B_10(1KJJ) / Model_24(1KJJ/B) = [6.5]	Download	1127.86	-0.93	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS
Complex: ADP_B_12(1KJQ) / Model_51(1KJQ/B) = [6.2]	Download	1224.01	-3.17	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS
Complex: ATP_B_13(1KJ9) / Model_26(1KJ9/B) = [5.8]	Download	1335.54	-1.73	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS
Consensus [pKd Mean = 6.42]	-	1243 (s=80)	0 (s=2)	MSVTLGTPLQSSAFKVLLLGSGELGKEVVISLQRLGVEVHAADRYDHAPAMQVAHFSYVLNMADPAQLKQLIEKVKPNLIVPEIEAIATEVLLEIEANKTATVIPSAKAVNLTMNREGIRRLAAEELGLPTSAYRFADTLESFCAACDDIGYPNFVKPVMSSSGRGQSRVKSFDEVDAAWEYAMQGGRVNQGTVIIESQIDFDFEITLLTVRAKNPETGEIETHYCDPIGHRQDAGDYVESWQPQPMTPAALEEAKRIANKVTTALGGCGIFGVELFIKGDKVWFSEVSPRPHDTGLVTLASQFQSEFELHARAILGLPVNTARHSVAASAVIYAGVDANNLSYSNLNVALAHPDTDLRLFGKPEGFKRRRMGVATARAENTDLARTLAKETADQVSVQTNS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	85	OE2	33	5	1[C], 22[O], 1[N], 9[P],
GLU	85	OE1	37	5	9[P], 1[N], 25[O], 1[C], 1[S],
GLU	85	CG	11	5	1[P], 10[O],
GLU	85	CD	35	5	1[S], 1[C], 1[N], 23[O], 9[P],
GLU	85	CB	5	5	5[O],
THR	113	O	7	5	7[O],
ARG	116	CD	38	5	10[P], 28[O],
ARG	116	CZ	75	5	14[P], 11[C], 44[O], 6[N],
ARG	116	NE	53	5	13[P], 2[C], 1[N], 37[O],
ARG	116	CB	10	5	10[O],
ARG	116	CG	29	5	10[P], 19[O],
ARG	120	NE	3	5	3[N],
ARG	120	CZ	23	5	5[O], 10[N], 8[C],
THR	131	C	6	5	1[C], 5[N],
THR	131	O	5	5	5[N],
THR	131	CA	4	5	4[N],
SER	132	OG	45	5	20[N], 25[C],
SER	132	N	22	5	10[C], 12[N],
SER	132	C	15	5	5[C], 10[N],
SER	132	O	7	5	2[C], 5[N],
SER	132	CA	29	5	14[C], 15[N],
SER	132	CB	45	5	25[C], 20[N],
ALA	133	C	5	5	5[N],
ALA	133	O	14	5	9[N], 5[C],
ALA	133	CA	5	5	5[N],
ALA	133	N	14	5	9[N], 5[C],
TYR	134	CB	5	5	5[N],
PRO	153	O	5	5	5[N],
ASN	154	C	21	5	11[C], 10[N],
ASN	154	O	4	5	1[C], 3[N],
ASN	154	CB	2	5	2[N],
ASN	154	CA	15	5	10[N], 5[C],
PHE	155	N	43	5	18[N], 25[C],
PHE	155	CZ	80	5	43[C], 12[O], 25[N],
PHE	155	C	27	5	15[C], 12[N],
PHE	155	CE1	72	5	37[C], 10[O], 25[N],
PHE	155	CE2	86	5	1[P], 45[C], 25[N], 15[O],
PHE	155	CD2	90	5	2[P], 47[C], 16[O], 25[N],
PHE	155	CD1	65	5	6[O], 25[N], 34[C],
PHE	155	CB	69	5	14[O], 25[N], 30[C],
PHE	155	CG	78	5	41[C], 25[N], 12[O],
PHE	155	O	27	5	12[N], 15[C],
PHE	155	CA	50	5	25[C], 25[N],
VAL	156	N	4	5	4[N],
LYS	157	NZ	135	5	10[P], 26[N], 48[O], 51[C],
LYS	157	CE	127	5	51[C], 26[N], 40[O], 10[P],
LYS	157	CA	13	5	13[O],
LYS	157	CD	105	5	41[C], 16[N], 38[O], 10[P],
LYS	157	C	3	5	3[O],
LYS	157	CB	46	5	10[P], 6[C], 25[O], 5[N],
LYS	157	CG	84	5	10[P], 35[O], 15[N], 24[C],
PRO	158	N	4	5	4[O],
PRO	158	C	2	5	2[O],
PRO	158	CB	2	5	2[O],
PRO	158	CD	4	5	4[O],
PRO	158	CG	4	5	4[O],
PRO	158	O	20	5	16[O], 4[P],
VAL	159	O	4	5	4[O],
MET	160	O	4	5	4[O],
MET	160	C	8	5	8[O],
SER	161	C	48	5	12[P], 1[C], 1[S], 1[N], 33[O],
SER	161	CA	28	5	1[N], 19[O], 1[C], 7[P],
SER	161	OG	41	5	2[C], 26[O], 1[N], 12[P],
SER	161	N	21	5	4[P], 1[C], 16[O],
SER	161	O	48	5	12[P], 1[C], 1[S], 33[O], 1[N],
SER	161	CB	30	5	8[P], 1[C], 1[N], 20[O],
SER	162	CA	53	5	12[P], 3[C], 1[S], 1[N], 36[O],
SER	162	OG	36	5	1[S], 1[C], 25[O], 1[N], 8[P],
SER	162	N	48	5	12[P], 1[C], 1[S], 1[N], 33[O],
SER	162	CB	44	5	12[P], 29[O], 1[N], 1[C], 1[S],
SER	162	O	42	5	1[N], 26[O], 1[S], 2[C], 12[P],
SER	162	C	56	5	1[S], 5[C], 1[N], 37[O], 12[P],
SER	163	CB	36	5	25[O], 1[N], 1[S], 1[C], 8[P],
SER	163	OG	34	5	8[P], 1[C], 1[S], 23[O], 1[N],
SER	163	C	59	5	1[S], 9[C], 1[N], 36[O], 12[P],
SER	163	CA	54	5	12[P], 7[C], 1[S], 1[N], 33[O],
SER	163	O	49	5	12[P], 28[O], 1[N], 7[C], 1[S],
SER	163	N	56	5	12[P], 37[O], 1[N], 5[C], 1[S],
GLY	164	N	64	5	12[P], 41[O], 1[N], 9[C], 1[S],
GLY	164	CA	66	5	12[P], 11[C], 1[S], 41[O], 1[N],
GLY	164	O	30	5	7[P], 17[O], 1[N], 5[C],
GLY	164	C	44	5	1[S], 6[C], 24[O], 1[N], 12[P],
ARG	165	N	41	5	11[P], 5[C], 1[S], 1[N], 23[O],
ARG	165	CG	4	5	4[O],
ARG	165	CD	1	5	1[O],
ARG	165	O	18	5	1[N], 13[O], 4[P],
ARG	165	CA	17	5	1[N], 11[O], 1[C], 4[P],
ARG	165	CB	13	5	1[C], 1[N], 7[O], 4[P],
ARG	165	C	13	5	9[O], 4[P],
GLY	166	CA	1	5	1[O],
GLY	166	C	3	5	3[O],
GLY	166	N	4	5	4[O],
GLN	167	CA	9	5	9[O],
GLN	167	CG	79	5	25[C], 8[N], 36[O], 10[P],
GLN	167	CB	54	5	13[C], 1[N], 30[O], 10[P],
GLN	167	NE2	112	5	51[O], 11[N], 1[S], 35[C], 14[P],
GLN	167	OE1	126	5	20[N], 47[O], 47[C], 12[P],
GLN	167	CD	103	5	39[C], 39[O], 12[N], 13[P],
GLN	167	N	5	5	5[O],
ARG	169	CG	26	5	16[C], 8[N], 2[O],
ARG	169	CD	26	5	3[O], 7[N], 16[C],
ARG	169	NE	15	5	2[O], 6[N], 7[C],
ARG	169	CZ	6	5	3[N], 3[C],
ILE	195	CG2	7	5	5[O], 2[N],
ILE	196	O	5	5	5[N],
ILE	196	C	5	5	5[N],
GLU	197	OE2	68	5	20[C], 20[N], 23[O], 5[P],
GLU	197	CG	47	5	22[C], 5[O], 20[N],
GLU	197	OE1	95	5	40[C], 25[N], 25[O], 5[P],
GLU	197	CA	25	5	15[N], 10[C],
GLU	197	CB	55	5	25[N], 5[O], 25[C],
GLU	197	CD	72	5	5[P], 15[O], 25[N], 27[C],
GLU	197	N	22	5	10[C], 12[N],
GLU	197	C	34	5	19[C], 15[N],
GLU	197	O	38	5	21[C], 17[N],
SER	198	OG	19	5	9[C], 10[N],
SER	198	O	48	5	24[N], 24[C],
SER	198	N	30	5	15[N], 15[C],
SER	198	CB	15	5	5[C], 10[N],
SER	198	C	40	5	20[C], 20[N],
SER	198	CA	26	5	15[C], 11[N],
GLN	199	OE1	32	5	18[C], 14[N],
GLN	199	NE2	31	5	15[N], 16[C],
GLN	199	N	42	5	21[N], 21[C],
GLN	199	C	44	5	20[C], 24[N],
GLN	199	CB	44	5	24[N], 20[C],
GLN	199	O	35	5	20[C], 15[N],
GLN	199	CD	36	5	20[C], 16[N],
GLN	199	CA	50	5	25[N], 25[C],
GLN	199	CG	49	5	24[C], 25[N],
ILE	200	CB	50	5	25[N], 25[C],
ILE	200	CA	45	5	25[N], 20[C],
ILE	200	CG1	49	5	25[N], 24[C],
ILE	200	O	58	5	31[C], 25[N], 2[O],
ILE	200	C	40	5	20[C], 20[N],
ILE	200	CG2	35	5	20[C], 15[N],
ILE	200	N	53	5	25[N], 28[C],
ILE	200	CD1	48	5	24[N], 24[C],
ASP	201	C	13	5	5[C], 8[N],
ASP	201	O	3	5	3[C],
ASP	201	CA	18	5	8[C], 10[N],
ASP	201	CB	10	5	5[N], 5[C],
ASP	201	OD1	1	5	1[C],
ASP	201	N	31	5	16[C], 15[N],
PHE	202	CD2	36	5	19[C], 5[O], 12[N],
PHE	202	CZ	82	5	45[C], 15[O], 22[N],
PHE	202	CE2	58	5	15[N], 12[O], 31[C],
PHE	202	CE1	85	5	45[C], 15[O], 25[N],
PHE	202	CG	49	5	29[C], 15[N], 5[O],
PHE	202	CB	16	5	10[N], 6[C],
PHE	202	N	15	5	5[C], 10[N],
PHE	202	CA	10	5	5[N], 5[C],
PHE	202	CD1	74	5	25[N], 9[O], 40[C],
PHE	204	C	1	5	1[O],
GLU	205	CA	20	5	10[C], 10[O],
GLU	205	N	14	5	5[C], 9[O],
GLU	205	CD	94	5	5[P], 46[C], 26[O], 17[N],
GLU	205	CG	67	5	37[C], 13[N], 17[O],
GLU	205	OE1	107	5	49[C], 18[N], 35[O], 5[P],
GLU	205	C	10	5	10[O],
GLU	205	OE2	96	5	46[C], 18[N], 28[O], 4[P],
GLU	205	O	1	5	1[O],
GLU	205	CB	46	5	11[O], 10[N], 25[C],
ILE	206	O	5	5	5[O],
ILE	206	N	5	5	5[O],
THR	207	OG1	7	5	7[O],
HIS	231	NE2	31	5	15[C], 16[O],
HIS	231	CD2	15	5	5[C], 10[O],
HIS	231	ND1	34	5	19[C], 15[O],
HIS	231	O	13	5	10[O], 3[C],
HIS	231	CB	5	5	5[O],
HIS	231	CE1	52	5	25[C], 27[O],
HIS	231	C	9	5	9[O],
HIS	231	CG	16	5	6[C], 10[O],
ARG	232	CA	7	5	7[O],
ARG	232	N	5	5	5[O],
ARG	232	C	11	5	1[C], 10[O],
ARG	232	O	7	5	7[O],
GLN	233	NE2	103	5	14[P], 53[O], 6[N], 29[C], 1[S],
GLN	233	CD	87	5	13[P], 41[O], 6[N], 26[C], 1[S],
GLN	233	OE1	79	5	11[P], 1[N], 40[O], 26[C], 1[S],
GLN	233	C	37	5	22[C], 15[O],
GLN	233	CB	55	5	1[S], 25[C], 24[O], 5[N],
GLN	233	N	31	5	18[C], 13[O],
GLN	233	CG	77	5	6[N], 33[O], 1[S], 30[C], 7[P],
GLN	233	CA	40	5	25[C], 15[O],
GLN	233	O	26	5	12[O], 14[C],
ASP	234	N	21	5	7[C], 14[O],
ASP	234	CA	3	5	3[O],
ALA	235	C	5	5	5[C],
ALA	235	N	2	5	2[C],
GLY	236	N	32	5	1[P], 12[C], 1[S], 1[N], 17[O],
GLY	236	O	71	5	1[S], 14[C], 43[O], 1[N], 12[P],
GLY	236	CA	70	5	13[P], 17[C], 1[S], 1[N], 38[O],
GLY	236	C	63	5	11[P], 36[O], 1[N], 14[C], 1[S],
ASP	237	OD2	4	5	1[S], 1[N], 1[O], 1[P],
ASP	237	N	29	5	1[S], 11[C], 1[N], 13[O], 3[P],
ASP	237	C	16	5	1[P], 8[O], 1[N], 5[C], 1[S],
ASP	237	CA	16	5	2[P], 7[O], 1[N], 5[C], 1[S],
ASP	237	OD1	2	5	2[O],
ASP	237	CB	3	5	2[O], 1[S],
ASP	237	O	8	5	4[O], 4[C],
ASP	237	CG	3	5	1[S], 2[O],
TYR	238	N	17	5	2[P], 1[N], 10[O], 3[C], 1[S],
TYR	238	CD2	1	5	1[O],
TYR	238	CA	10	5	9[O], 1[S],
TYR	238	CB	10	5	9[O], 1[S],
GLY	273	O	2	5	2[O],
GLU	275	O	4	5	4[O],
GLU	275	OE2	102	5	12[P], 9[N], 52[O], 28[C], 1[S],
GLU	275	CD	85	5	14[P], 24[C], 1[S], 45[O], 1[N],
GLU	275	CA	15	5	13[O], 2[C],
GLU	275	N	1	5	1[O],
GLU	275	CG	72	5	43[O], 1[N], 1[S], 17[C], 10[P],
GLU	275	CB	53	5	28[O], 15[C], 10[P],
GLU	275	OE1	82	5	13[P], 20[C], 1[S], 47[O], 1[N],
GLU	275	C	9	5	9[O],
LEU	276	C	2	5	2[O],
LEU	276	O	17	5	10[C], 7[O],
LEU	276	N	5	5	5[O],
PHE	277	CE2	109	5	25[N], 30[O], 49[C], 5[P],
PHE	277	CB	44	5	18[N], 1[O], 25[C],
PHE	277	CA	6	5	5[C], 1[N],
PHE	277	CD1	90	5	25[N], 20[O], 45[C],
PHE	277	CZ	111	5	5[P], 31[O], 25[N], 50[C],
PHE	277	CG	75	5	40[C], 10[O], 25[N],
PHE	277	CD2	77	5	25[N], 12[O], 40[C],
PHE	277	CE1	110	5	25[N], 30[O], 50[C], 5[P],
PHE	285	O	11	5	6[N], 5[C],
SER	286	OG	130	5	10[P], 50[C], 45[O], 25[N],
SER	286	N	7	5	3[O], 4[N],
SER	286	CA	63	5	17[N], 16[O], 25[C], 5[P],
SER	286	O	40	5	10[C], 10[N], 15[O], 5[P],
SER	286	CB	113	5	5[P], 50[C], 33[O], 25[N],
SER	286	C	43	5	5[P], 11[C], 17[O], 10[N],
GLU	287	N	30	5	5[N], 20[O], 5[P],
GLU	287	OE1	101	5	14[P], 24[C], 1[S], 8[N], 54[O],
GLU	287	CA	29	5	24[O], 5[P],
GLU	287	CB	52	5	14[P], 1[C], 1[N], 36[O],
GLU	287	OE2	85	5	4[N], 48[O], 1[S], 18[C], 14[P],
GLU	287	C	21	5	1[P], 20[O],
GLU	287	O	8	5	8[O],
GLU	287	CD	93	5	14[P], 22[C], 1[S], 6[N], 50[O],
GLU	287	CG	91	5	14[P], 21[C], 1[S], 6[N], 49[O],
VAL	288	O	4	5	4[O],
VAL	288	N	19	5	19[O],
VAL	288	CA	3	5	3[O],
VAL	288	C	7	5	7[O],
SER	289	N	8	5	8[O],
SER	289	OG	7	5	7[O],
SER	289	CB	13	5	9[O], 4[P],
SER	289	CA	7	5	7[O],
HIS	293	CB	2	5	2[O],
HIS	293	ND1	16	5	4[P], 11[O], 1[S],
HIS	293	CG	17	5	4[P], 1[S], 12[O],
HIS	293	CE1	33	5	1[S], 1[C], 1[N], 25[O], 5[P],
HIS	293	CD2	25	5	5[P], 1[C], 1[S], 18[O],
HIS	293	NE2	37	5	1[S], 1[C], 1[N], 28[O], 6[P],
ASP	294	CB	7	5	1[P], 1[S], 5[O],
ASP	294	OD2	18	5	4[P], 11[O], 1[N], 1[C], 1[S],
ASP	294	OD1	18	5	4[P], 1[C], 1[S], 11[O], 1[N],
ASP	294	CA	1	5	1[O],
ASP	294	CG	18	5	4[P], 1[C], 1[S], 1[N], 11[O],
ASP	294	N	6	5	1[S], 5[O],
THR	295	N	1	5	1[O],
THR	295	CG2	10	5	9[O], 1[S],
ARG	371	CZ	1	5	1[O],
Total = 267


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