Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	9	C	16	17	16[O],
LEU	9	O	16	17	16[O],
GLY	10	O	12	17	1[C], 11[O],
GLY	10	C	24	17	16[O], 8[C],
GLY	10	CA	51	17	15[N], 16[O], 20[C],
GLY	10	N	18	17	16[O], 2[C],
SER	11	N	23	17	16[O], 1[N], 6[C],
SER	11	CA	1	17	1[O],
ASN	12	CB	6	17	2[C], 1[O], 1[N], 1[F],
ASN	12	ND2	17	17	1[F], 1[N], 1[O], 14[C],
ASN	12	CG	14	17	1[F], 1[N], 1[O], 11[C],
ASN	12	OD1	12	17	9[C], 1[O], 1[N], 1[F],
ASN	12	N	1	17	1[C],
SER	41	OG	58	17	19[C], 37[N], 2[O],
SER	41	CB	60	17	16[C], 44[N],
SER	41	N	16	17	16[N],
SER	41	O	62	17	16[C], 46[N],
SER	41	C	47	17	31[N], 16[C],
SER	41	CA	34	17	18[N], 16[C],
PRO	42	N	32	17	16[N], 16[C],
PRO	42	CG	9	17	9[N],
PRO	42	CB	14	17	14[N],
PRO	42	O	83	17	32[C], 51[N],
PRO	42	C	67	17	21[C], 46[N],
PRO	42	CA	31	17	17[N], 14[C],
PRO	42	CD	16	17	16[N],
PRO	43	CG	31	17	1[F], 17[N], 13[C],
PRO	43	N	65	17	28[C], 37[N],
PRO	43	O	64	17	41[N], 23[C],
PRO	43	CA	112	17	49[C], 63[N],
PRO	43	CD	30	17	4[C], 26[N],
PRO	43	CB	91	17	41[C], 1[F], 48[N],
PRO	43	C	103	17	44[C], 59[N],
MET	44	CG	109	17	63[C], 1[O], 45[N],
MET	44	CE	39	17	2[P], 20[C], 14[N], 3[O],
MET	44	CA	140	17	1[O], 50[N], 89[C],
MET	44	SD	57	17	30[N], 1[O], 26[C],
MET	44	N	172	17	101[C], 70[N], 1[O],
MET	44	C	135	17	36[N], 7[S], 2[O], 90[C],
MET	44	O	157	17	47[N], 7[S], 3[O], 100[C],
MET	44	CB	172	17	2[O], 70[N], 100[C],
GLY	45	C	30	17	26[C], 1[S], 1[O], 2[N],
GLY	45	CA	60	17	15[N], 2[O], 6[S], 37[C],
GLY	45	O	19	17	2[S], 1[O], 16[C],
GLY	45	N	94	17	2[O], 1[S], 30[N], 61[C],
PRO	46	N	24	17	22[C], 1[N], 1[O],
PRO	46	CG	48	17	32[C], 6[N], 2[F], 7[S],
PRO	46	CB	25	17	22[C], 2[F],
PRO	46	C	5	17	5[C],
PRO	46	O	2	17	2[N],
PRO	46	CD	65	17	47[C], 1[O], 7[S], 10[N],
PRO	46	CA	14	17	14[C],
GLN	47	O	6	17	6[C],
GLN	47	N	3	17	3[C],
GLN	49	NE2	47	17	4[S], 16[N], 1[F], 26[C],
GLN	49	CG	18	17	16[C], 1[F], 1[N],
GLN	49	C	4	17	1[C], 1[N], 1[F],
GLN	49	CD	28	17	18[C], 7[N], 1[F], 2[S],
GLN	49	CB	16	17	1[N], 1[F], 14[C],
GLN	49	OE1	31	17	19[C], 3[S], 1[F], 8[N],
GLN	49	CA	8	17	6[C], 1[N], 1[F],
PRO	50	CG	3	17	1[F], 1[N],
PRO	50	CD	4	17	1[C], 1[N], 1[F],
PRO	50	N	4	17	1[F], 1[N], 1[C],
PRO	50	O	5	17	2[C], 1[N], 1[F],
ASN	51	C	2	17	2[N],
TYR	52	CE2	233	17	1[F], 83[N], 23[O], 4[S], 121[C],
TYR	52	C	29	17	25[N], 4[C],
TYR	52	CD1	191	17	94[C], 16[O], 80[N], 1[F],
TYR	52	CG	169	17	76[C], 16[O], 77[N],
TYR	52	CE1	221	17	1[F], 81[N], 4[S], 18[O], 116[C],
TYR	52	O	17	17	16[N], 1[C],
TYR	52	CZ	239	17	1[F], 82[N], 6[S], 21[O], 128[C],
TYR	52	CB	132	17	16[O], 52[N], 64[C],
TYR	52	CA	65	17	34[N], 5[O], 26[C],
TYR	52	N	50	17	34[N], 16[C],
TYR	52	CD2	193	17	96[C], 18[O], 78[N], 1[F],
LEU	53	N	1	17	1[N],
LEU	53	O	24	17	6[N], 16[O], 2[C],
LEU	53	C	6	17	5[O], 1[N],
ASN	54	OD1	129	17	64[C], 16[O], 49[N],
ASN	54	CG	101	17	16[O], 37[N], 48[C],
ASN	54	CB	54	17	21[N], 16[O], 17[C],
ASN	54	N	1	17	1[N],
ASN	54	CA	17	17	3[N], 14[O],
ASN	54	ND2	118	17	53[C], 16[O], 49[N],
LEU	69	CG	34	17	10[N], 5[O], 19[C],
LEU	69	CB	3	17	2[N], 1[C],
LEU	69	CD1	64	17	7[O], 20[N], 37[C],
LEU	69	CD2	50	17	12[N], 5[O], 33[C],
LEU	72	C	1	17	1[O],
LEU	72	CD1	8	17	4[N], 4[C],
LEU	72	O	1	17	1[O],
LEU	72	CB	1	17	1[C],
GLN	73	CA	2	17	1[C], 1[O],
GLN	73	NE2	52	17	27[C], 14[O], 1[S], 10[N],
GLN	73	N	2	17	1[O], 1[C],
GLN	73	CD	21	17	10[C], 10[O], 1[N],
GLN	73	CG	21	17	9[O], 1[N], 11[C],
GLN	73	OE1	15	17	7[C], 8[O],
GLN	73	CB	2	17	1[C], 1[O],
GLU	76	CB	2	17	2[O],
GLU	76	CD	12	17	2[O], 10[C],
GLU	76	OE2	23	17	13[C], 3[N], 3[S], 4[O],
GLU	76	CG	5	17	3[C], 2[O],
GLU	76	OE1	18	17	1[N], 3[S], 3[O], 11[C],
ARG	81	CD	1	17	1[O],
ARG	81	NE	4	17	1[P], 3[O],
ARG	81	CZ	6	17	5[O], 1[P],
ARG	83	CG	1	17	1[O],
ARG	83	CZ	12	17	2[P], 3[C], 7[O],
ARG	83	NE	5	17	1[P], 1[C], 3[O],
ARG	83	CD	2	17	2[O],
ARG	85	O	8	17	3[O], 5[C],
ARG	85	C	4	17	1[C], 3[O],
HIS	86	C	26	17	2[P], 16[C], 2[S], 6[O],
HIS	86	O	40	17	5[N], 2[S], 8[O], 1[P], 24[C],
HIS	86	CB	10	17	1[C], 3[P], 6[O],
HIS	86	CE1	11	17	1[S], 6[O], 2[P], 2[C],
HIS	86	CD2	17	17	5[C], 3[P], 8[O], 1[S],
HIS	86	NE2	15	17	5[C], 3[P], 1[S], 6[O],
HIS	86	CG	13	17	3[P], 1[C], 1[S], 8[O],
HIS	86	ND1	12	17	1[C], 3[P], 1[S], 7[O],
HIS	86	CA	13	17	2[P], 3[C], 8[O],
HIS	86	N	3	17	1[P], 2[O],
TRP	87	CD1	31	17	1[F], 6[N], 9[O], 13[C], 2[P],
TRP	87	CE3	46	17	34[C], 6[N], 1[F], 2[O], 3[S],
TRP	87	CG	44	17	30[C], 2[P], 6[O], 5[N], 1[F],
TRP	87	CD2	37	17	1[P], 30[C], 2[O], 3[N], 1[F],
TRP	87	NE1	26	17	9[C], 2[P], 1[F], 5[N], 9[O],
TRP	87	N	33	17	18[C], 3[P], 8[O], 2[S], 1[F], 1[N],
TRP	87	CA	67	17	1[F], 10[N], 2[S], 13[O], 38[C], 3[P],
TRP	87	CZ2	9	17	2[O], 1[F], 1[P], 5[C],
TRP	87	O	60	17	1[P], 41[C], 11[N], 2[F], 2[S], 3[O],
TRP	87	CE2	24	17	4[O], 3[N], 1[F], 1[P], 15[C],
TRP	87	C	61	17	2[F], 9[N], 2[S], 7[O], 40[C], 1[P],
TRP	87	CZ3	33	17	25[C], 3[S], 1[F], 4[N],
TRP	87	CB	53	17	1[S], 4[O], 4[N], 1[F], 40[C], 2[P],
GLY	88	N	53	17	35[C], 1[P], 6[N], 2[F], 2[S], 7[O],
GLY	88	C	30	17	3[O], 1[S], 1[N], 2[F], 1[P], 22[C],
GLY	88	O	46	17	30[C], 1[P], 5[N], 2[F], 2[S], 6[O],
GLY	88	CA	38	17	25[C], 1[P], 4[N], 2[F], 1[S], 5[O],
GLU	89	CB	7	17	2[C], 2[O], 1[N], 1[F],
GLU	89	OE1	4	17	1[N], 1[F], 1[C],
GLU	89	OE2	3	17	1[O], 1[N], 1[C],
GLU	89	CG	7	17	1[P], 1[C], 1[F], 1[N], 2[O],
GLU	89	N	16	17	3[O], 1[N], 1[F], 1[P], 10[C],
GLU	89	CA	13	17	9[C], 2[O], 1[N], 1[F],
GLU	89	CD	4	17	1[N], 1[O], 1[C],
GLU	89	O	4	17	1[N], 1[F], 1[C],
GLU	89	C	9	17	1[O], 1[N], 1[F], 6[C],
ARG	90	CD	77	17	2[F], 16[N], 1[S], 11[O], 46[C],
ARG	90	CB	24	17	14[C], 4[O], 6[N],
ARG	90	NE	96	17	11[O], 2[S], 17[N], 2[F], 1[P], 62[C],
ARG	90	N	8	17	1[F], 1[N], 2[O], 3[C],
ARG	90	CG	45	17	27[C], 7[O], 11[N],
ARG	90	CZ	123	17	74[C], 2[P], 2[F], 21[N], 16[O], 7[S],
ARG	90	C	3	17	2[C], 1[O],
ARG	90	CA	2	17	1[C], 1[O],
ARG	90	O	4	17	2[C], 2[O],
THR	91	CB	2	17	2[C],
THR	91	CG2	2	17	2[C],
THR	91	CA	4	17	2[C], 2[O],
THR	91	N	3	17	2[C], 1[O],
THR	91	C	4	17	2[O], 2[C],
THR	91	O	4	17	2[C], 2[O],
LEU	92	CA	3	17	1[O], 2[C],
LEU	92	N	4	17	2[C], 2[O],
LEU	92	C	4	17	2[O], 2[C],
LEU	92	O	4	17	2[O], 2[C],
ASP	93	CA	19	17	4[O], 2[N], 13[C],
ASP	93	O	2	17	2[C],
ASP	93	C	7	17	6[C], 1[O],
ASP	93	N	7	17	4[C], 3[O],
ASP	93	OD1	64	17	3[P], 32[C], 2[S], 17[O], 10[N],
ASP	93	OD2	143	17	78[C], 3[P], 35[O], 2[S], 25[N],
ASP	93	CB	71	17	28[C], 24[O], 19[N],
ASP	93	CG	92	17	1[P], 40[C], 27[O], 1[S], 23[N],
LEU	94	C	28	17	14[C], 12[N], 2[O],
LEU	94	CA	8	17	7[C], 1[O],
LEU	94	O	37	17	22[C], 3[O], 12[N],
LEU	94	N	9	17	6[C], 2[N], 1[O],
LEU	94	CB	1	17	1[O],
ASP	95	O	15	17	8[C], 7[N],
ASP	95	OD2	91	17	18[O], 2[S], 24[N], 45[C], 2[P],
ASP	95	OD1	92	17	3[S], 17[O], 22[N], 48[C], 2[P],
ASP	95	C	26	17	11[C], 15[N],
ASP	95	CA	44	17	26[C], 17[N], 1[O],
ASP	95	CB	47	17	29[C], 17[N], 1[O],
ASP	95	CG	78	17	1[P], 45[C], 1[S], 12[O], 19[N],
ASP	95	N	22	17	11[C], 10[N], 1[O],
LEU	96	CD2	12	17	4[C], 8[N],
LEU	96	CB	30	17	16[C], 14[N],
LEU	96	O	31	17	16[C], 15[N],
LEU	96	CG	20	17	11[N], 9[C],
LEU	96	N	35	17	20[C], 15[N],
LEU	96	CA	25	17	15[C], 10[N],
LEU	96	CD1	9	17	4[N], 5[C],
LEU	96	C	25	17	10[N], 15[C],
LEU	97	N	14	17	4[C], 10[N],
LEU	97	CA	5	17	5[N],
LEU	97	O	5	17	5[N],
LEU	97	C	5	17	5[N],
GLU	107	O	14	17	2[N], 4[O], 8[C],
GLU	107	C	3	17	3[O],
ARG	108	CG	5	17	1[C], 4[O],
ARG	108	CB	9	17	4[O], 5[C],
ARG	108	C	49	17	28[C], 8[O], 13[N],
ARG	108	N	6	17	2[C], 4[O],
ARG	108	O	71	17	40[C], 13[O], 18[N],
ARG	108	NE	4	17	4[O],
ARG	108	CD	3	17	3[O],
ARG	108	CZ	3	17	3[O],
ARG	108	CA	27	17	15[C], 6[N], 6[O],
LEU	109	CD2	17	17	9[N], 8[C],
LEU	109	CG	39	17	21[C], 18[N],
LEU	109	CD1	46	17	24[C], 20[N], 2[O],
LEU	109	N	36	17	22[C], 10[N], 4[O],
LEU	109	O	11	17	6[C], 5[N],
LEU	109	C	35	17	15[N], 20[C],
LEU	109	CA	46	17	4[O], 15[N], 27[C],
LEU	109	CB	34	17	15[N], 19[C],
THR	110	CA	27	17	12[N], 15[C],
THR	110	N	39	17	16[N], 23[C],
THR	110	CB	25	17	11[N], 14[C],
THR	110	C	25	17	10[N], 15[C],
THR	110	CG2	7	17	6[N], 1[C],
THR	110	O	40	17	20[C], 20[N],
THR	110	OG1	16	17	7[N], 9[C],
VAL	111	CG1	3	17	3[N],
VAL	111	CB	6	17	1[C], 5[N],
VAL	111	N	14	17	4[C], 10[N],
VAL	111	CG2	24	17	10[C], 14[N],
VAL	111	CA	8	17	2[C], 6[N],
PRO	112	O	5	17	5[N],
PRO	112	C	5	17	5[N],
HIS	113	CA	19	17	11[N], 8[C],
HIS	113	NE2	66	17	20[N], 10[O], 1[S], 2[P], 33[C],
HIS	113	C	5	17	5[N],
HIS	113	CD2	49	17	26[C], 3[O], 20[N],
HIS	113	CE1	27	17	6[N], 8[O], 2[P], 11[C],
HIS	113	CB	17	17	10[N], 7[C],
HIS	113	CG	22	17	11[C], 11[N],
HIS	113	ND1	10	17	2[C], 6[N], 2[O],
HIS	113	N	7	17	2[C], 5[N],
VAL	114	CG1	3	17	1[C], 2[O],
VAL	114	N	9	17	9[N],
VAL	114	CG2	3	17	1[C], 2[N],
VAL	114	O	1	17	1[O],
ARG	119	CD	11	17	5[O], 6[C],
ARG	119	CZ	102	17	62[C], 2[P], 20[N], 14[O], 4[S],
ARG	119	NE	44	17	27[C], 1[P], 8[N], 3[S], 5[O],
ARG	119	CG	5	17	1[O], 4[C],
PHE	121	CD1	152	17	67[C], 67[N], 18[O],
PHE	121	CB	99	17	37[C], 16[O], 46[N],
PHE	121	CZ	214	17	108[C], 4[S], 20[O], 82[N],
PHE	121	CG	135	17	64[C], 54[N], 17[O],
PHE	121	C	2	17	2[N],
PHE	121	CA	32	17	26[N], 6[C],
PHE	121	CD2	158	17	69[C], 72[N], 17[O],
PHE	121	O	4	17	2[O], 2[N],
PHE	121	CE2	201	17	1[S], 19[O], 80[N], 101[C],
PHE	121	N	4	17	4[N],
PHE	121	CE1	202	17	21[O], 83[N], 98[C],
VAL	122	CG2	4	17	4[O],
Total = 265

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: A4P_A_4(1EX8) / Model_17(1EX8/A) = [10.8]	Download	1774.53	30.05	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1D_A_2(4F7V) / Model_26(4F7V/A) = [9.7]	Download	1349.53	31.53	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1B_A_2(3UDE) / Model_28(3UDE/A) = [8.8]	Download	1471.32	27.10	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1C_A_2(3UDV) / Model_27(3UDV/A) = [8.0]	Download	1472.67	25.90	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1A_A_2(3UD5) / Model_29(3UD5/A) = [7.4]	Download	1580.08	30.89	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Consensus [pKd Mean = 8.94]	-	1529 (s=142)	29 (s=2)	MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA


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