Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLY	70	O	1	1	1[O],
ALA	71	C	4	1	2[O], 2[C],
ALA	71	CA	3	1	2[O], 1[C],
ALA	71	N	1	1	1[O],
ALA	71	O	3	1	2[O], 1[C],
ALA	71	CB	1	1	1[O],
GLY	72	CA	6	1	3[O], 3[C],
GLY	72	N	6	1	3[O], 3[C],
GLY	72	O	4	1	2[O], 2[C],
GLY	72	C	5	1	2[O], 3[C],
ALA	73	O	4	1	2[O], 2[C],
ALA	73	C	5	1	2[O], 3[C],
ALA	73	CA	5	1	2[O], 3[C],
ALA	73	N	6	1	3[O], 3[C],
ALA	73	CB	4	1	2[O], 2[C],
SER	74	O	7	1	4[O], 3[C],
SER	74	CB	6	1	3[O], 3[C],
SER	74	OG	6	1	3[O], 3[C],
SER	74	N	6	1	3[O], 3[C],
SER	74	CA	6	1	3[O], 3[C],
SER	74	C	6	1	3[O], 3[C],
GLY	75	N	6	1	3[O], 3[C],
GLY	75	C	6	1	3[O], 3[C],
GLY	75	CA	7	1	4[O], 3[C],
GLY	75	O	5	1	2[O], 3[C],
ASP	76	O	2	1	1[O], 1[C],
ASP	76	CA	2	1	1[O], 1[C],
ASP	76	C	1	1	1[O],
ASP	76	N	5	1	2[O], 3[C],
ASP	76	CB	1	1	1[O],
ASP	76	CG	1	1	1[O],
ASP	76	OD1	1	1	1[O],
VAL	77	CA	1	1	1[O],
VAL	77	CG1	1	1	1[C],
VAL	77	CB	2	1	1[O],
VAL	77	CG2	6	1	3[O], 2[C],
VAL	77	N	1	1	1[O],
ALA	89	O	2	1	1[C],
LEU	90	C	1	1	1[C],
LEU	90	CA	1	1	1[C],
LYS	91	CG	16	1	4[O], 2[N], 9[C],
LYS	91	CA	5	1	2[O], 2[C],
LYS	91	C	3	1	2[O],
LYS	91	N	3	1	2[C],
LYS	91	CB	13	1	3[O], 2[N], 7[C],
LYS	91	O	3	1	1[O], 1[C],
LYS	91	CE	21	1	4[O], 2[N], 14[C],
LYS	91	NZ	24	1	1[F], 4[O], 2[N], 16[C],
LYS	91	CD	21	1	1[F], 4[O], 2[N], 13[C],
ARG	92	CA	1	1	1[O],
ARG	92	C	3	1	1[O], 2[C],
ARG	92	N	2	1	1[O],
ARG	92	O	5	1	2[O], 3[C],
ILE	93	C	1	1	1[O],
ILE	93	CG2	10	1	4[O], 1[N], 5[C],
ILE	93	CG1	17	1	4[O], 2[N], 10[C],
ILE	93	CD1	21	1	2[F], 4[O], 2[N], 12[C],
ILE	93	CB	10	1	4[O], 1[N], 5[C],
ILE	93	CA	6	1	3[O], 3[C],
ILE	93	N	4	1	2[O], 2[C],
PRO	94	CD	1	1	1[O],
VAL	104	CG1	6	1	2[F], 4[C],
VAL	104	O	2	1	2[F],
GLU	107	C	2	1	2[F],
GLU	107	OE1	2	1	1[F], 1[C],
GLU	107	CB	2	1	2[F],
GLU	107	CD	1	1	1[F],
GLU	107	O	2	1	2[F],
LEU	108	N	4	1	2[F], 2[C],
LEU	108	CA	7	1	2[F], 5[C],
LEU	108	CD2	18	1	2[F], 1[O], 1[N], 13[C],
LEU	108	O	4	1	1[F], 3[C],
LEU	108	CD1	11	1	2[F], 1[N], 7[C],
LEU	108	C	1	1	1[F],
LEU	108	CG	14	1	2[F], 1[N], 10[C],
LEU	108	CB	10	1	2[F], 1[N], 7[C],
MET	112	O	3	1	2[C], 1[I],
MET	112	CB	8	1	1[F], 6[C], 1[I],
MET	112	CG	14	1	2[F], 1[N], 9[C], 1[I],
MET	112	C	3	1	2[C], 1[I],
MET	112	SD	15	1	2[F], 1[N], 10[C], 1[I],
MET	112	CA	6	1	1[F], 4[C], 1[I],
MET	112	CE	14	1	2[F], 1[N], 9[C], 1[I],
MET	112	N	4	1	1[F], 2[C], 1[I],
GLY	115	CA	1	1	1[I],
GLY	115	O	1	1	1[I],
GLY	115	C	1	1	1[I],
VAL	120	CA	2	1	1[C], 1[I],
VAL	120	C	3	1	2[C], 1[I],
VAL	120	N	1	1	1[I],
VAL	120	O	1	1	1[I],
VAL	120	CG1	5	1	4[C], 1[I],
VAL	120	CB	3	1	2[C], 1[I],
VAL	120	CG2	1	1	1[I],
MET	121	O	7	1	6[C], 1[I],
MET	121	C	4	1	3[C], 1[I],
MET	121	N	4	1	3[C], 1[I],
MET	121	SD	8	1	6[C], 1[I],
MET	121	CG	6	1	4[C], 1[I],
MET	121	CE	5	1	3[C], 1[I],
MET	121	CB	8	1	6[C], 1[I],
MET	121	CA	4	1	3[C], 1[I],
ASN	122	CA	3	1	2[C], 1[I],
ASN	122	O	5	1	4[C], 1[I],
ASN	122	CG	1	1	1[I],
ASN	122	OD1	1	1	1[I],
ASN	122	CB	1	1	1[I],
ASN	122	C	4	1	3[C], 1[I],
ASN	122	N	3	1	2[C], 1[I],
ASN	123	OD1	10	1	1[F], 1[N], 6[C], 1[I],
ASN	123	C	3	1	2[C], 1[I],
ASN	123	CB	7	1	6[C], 1[I],
ASN	123	N	4	1	3[C], 1[I],
ASN	123	CA	5	1	4[C], 1[I],
ASN	123	O	1	1	1[I],
ASN	123	ND2	6	1	5[C], 1[I],
ASN	123	CG	8	1	6[C], 1[I],
TYR	124	N	1	1	1[I],
VAL	136	C	1	1	1[C],
VAL	136	O	1	1	1[C],
ILE	137	O	6	1	1[N], 4[C],
ILE	137	CG2	15	1	1[F], 1[O], 1[N], 10[C], 1[I],
ILE	137	CD1	22	1	2[F], 2[O], 2[N], 14[C], 1[I],
ILE	137	CG1	16	1	1[F], 1[O], 1[N], 12[C],
ILE	137	N	5	1	1[N], 3[C],
ILE	137	C	6	1	1[N], 4[C],
ILE	137	CB	15	1	1[F], 1[O], 1[N], 10[C], 1[I],
ILE	137	CA	8	1	1[O], 1[N], 5[C],
PRO	138	C	5	1	3[C], 1[I],
PRO	138	CA	3	1	2[C],
PRO	138	CD	3	1	2[C],
PRO	138	O	5	1	3[C], 1[I],
PRO	138	N	4	1	3[C],
MET	139	CG	8	1	6[C], 1[I],
MET	139	N	5	1	3[C], 1[I],
MET	139	SD	10	1	1[O], 1[N], 6[C], 1[I],
MET	139	CB	8	1	6[C], 1[I],
MET	139	CE	11	1	1[O], 1[N], 7[C], 1[I],
MET	139	CA	5	1	3[C], 1[I],
MET	139	C	3	1	2[C], 1[I],
GLU	140	CA	1	1	1[I],
GLU	140	OE1	1	1	1[I],
GLU	140	N	2	1	1[C], 1[I],
GLU	140	O	1	1	1[I],
GLU	140	CB	1	1	1[I],
LEU	175	CD2	1	1	1[C],
LEU	175	CD1	1	1	1[C],
HIS	183	CE1	7	1	1[N], 6[C],
HIS	183	NE2	3	1	3[C],
HIS	183	C	1	1	1[C],
HIS	183	CD2	2	1	2[C],
HIS	183	O	8	1	1[F], 7[C],
ARG	184	CD	3	1	1[F], 2[C],
ARG	184	NE	2	1	1[F], 1[C],
ARG	184	CB	2	1	2[C],
ARG	184	CG	1	1	1[C],
ASP	185	OD2	13	1	4[O], 1[N], 8[C],
ASP	185	CB	6	1	1[O], 1[N], 4[C],
ASP	185	CG	8	1	1[O], 1[N], 6[C],
ASP	185	CA	1	1	1[N],
ASP	185	OD1	2	1	1[O], 1[N],
ASP	185	O	2	1	1[O], 1[N],
LYS	187	CE	6	1	2[O], 3[C], 1[N],
LYS	187	NZ	7	1	3[O], 3[C], 1[N],
SER	189	OG	1	1	1[O],
ASN	190	CB	2	1	1[O], 1[N],
ASN	190	OD1	9	1	3[O], 4[C], 2[N],
ASN	190	ND2	8	1	2[O], 1[N], 5[C],
ASN	190	CG	7	1	2[O], 1[N], 4[C],
LEU	192	CD1	3	1	2[C], 1[I],
LYS	200	CB	1	1	1[I],
ILE	201	CD1	2	1	1[C], 1[I],
ILE	201	O	7	1	6[C], 1[I],
ILE	201	CA	3	1	2[C], 1[I],
ILE	201	CB	2	1	1[C], 1[I],
ILE	201	C	7	1	6[C], 1[I],
ILE	201	N	1	1	1[I],
ILE	201	CG1	3	1	2[C], 1[I],
ALA	202	O	19	1	1[F], 2[O], 2[N], 12[C], 1[I],
ALA	202	CA	13	1	1[O], 1[N], 9[C], 1[I],
ALA	202	N	7	1	6[C], 1[I],
ALA	202	C	20	1	1[F], 2[O], 2[N], 13[C], 1[I],
ALA	202	CB	13	1	1[O], 1[N], 9[C], 1[I],
ASP	203	C	22	1	2[F], 2[O], 2[N], 14[C], 1[I],
ASP	203	N	22	1	2[F], 2[O], 2[N], 14[C], 1[I],
ASP	203	O	22	1	2[F], 2[O], 2[N], 15[C],
ASP	203	CA	23	1	2[F], 2[O], 2[N], 15[C], 1[I],
ASP	203	OD2	24	1	1[F], 4[O], 2[N], 16[C],
ASP	203	CB	25	1	2[F], 3[O], 2[N], 16[C], 1[I],
ASP	203	CG	25	1	1[F], 4[O], 2[N], 16[C], 1[I],
ASP	203	OD1	24	1	1[F], 3[O], 2[N], 16[C], 1[I],
PHE	204	CD1	15	1	2[F], 1[N], 11[C], 1[I],
PHE	204	CB	16	1	2[F], 1[N], 12[C], 1[I],
PHE	204	CE2	11	1	1[F], 1[N], 8[C], 1[I],
PHE	204	CD2	14	1	2[F], 1[N], 10[C], 1[I],
PHE	204	CG	16	1	2[F], 1[N], 12[C], 1[I],
PHE	204	C	20	1	2[F], 2[O], 2[N], 13[C], 1[I],
PHE	204	O	21	1	2[F], 2[O], 2[N], 13[C], 1[I],
PHE	204	CZ	11	1	1[F], 1[N], 8[C], 1[I],
PHE	204	CE1	13	1	2[F], 1[N], 9[C], 1[I],
PHE	204	CA	20	1	2[F], 2[O], 2[N], 13[C], 1[I],
PHE	204	N	21	1	2[F], 2[O], 2[N], 13[C], 1[I],
GLY	205	N	15	1	2[F], 2[N], 11[C],
GLY	205	CA	14	1	2[F], 2[N], 10[C],
GLY	205	C	12	1	2[F], 1[N], 9[C],
GLY	205	O	8	1	2[F], 6[C],
VAL	206	CG2	8	1	2[F], 6[C],
VAL	206	CB	16	1	2[F], 1[N], 12[C], 1[I],
VAL	206	O	5	1	2[F], 3[C],
VAL	206	CG1	16	1	2[F], 1[N], 12[C], 1[I],
VAL	206	C	11	1	2[F], 1[N], 8[C],
VAL	206	N	15	1	2[F], 1[N], 12[C],
VAL	206	CA	12	1	2[F], 1[N], 9[C],
SER	207	OG	8	1	2[F], 6[C],
SER	207	C	8	1	2[F], 6[C],
SER	207	N	12	1	2[F], 1[N], 9[C],
SER	207	CB	10	1	2[F], 1[N], 7[C],
SER	207	O	8	1	2[F], 6[C],
SER	207	CA	8	1	2[F], 6[C],
ARG	208	N	3	1	1[F], 2[C],
ARG	208	O	2	1	1[F], 1[C],
ARG	208	CA	1	1	1[F],
ARG	208	C	3	1	1[F], 2[C],
LEU	209	N	8	1	2[F], 6[C],
LEU	209	O	12	1	2[F], 1[O], 1[N], 8[C],
LEU	209	CD1	15	1	2[F], 2[O], 9[C], 2[N],
LEU	209	CA	9	1	2[F], 7[C],
LEU	209	CG	19	1	2[F], 2[O], 2[N], 12[C],
LEU	209	C	10	1	2[F], 1[N], 7[C],
LEU	209	CB	13	1	2[F], 1[O], 2[N], 8[C],
LEU	209	CD2	20	1	2[F], 2[O], 2[N], 13[C],
ILE	210	CA	10	1	2[F], 1[N], 7[C],
ILE	210	CD1	8	1	2[F], 6[C],
ILE	210	CB	7	1	1[F], 6[C],
ILE	210	N	10	1	2[F], 1[N], 7[C],
ILE	210	CG2	4	1	1[F], 3[C],
ILE	210	O	4	1	1[F], 3[C],
ILE	210	CG1	10	1	2[F], 1[N], 7[C],
ILE	210	C	4	1	1[F], 3[C],
GLN	211	N	4	1	1[F], 3[C],
LEU	213	CB	10	1	2[O], 1[N], 7[C],
LEU	213	CA	2	1	1[O], 1[C],
LEU	213	C	1	1	1[C],
LEU	213	CD2	12	1	4[O], 1[N], 7[C],
LEU	213	CG	16	1	1[F], 4[O], 1[N], 10[C],
LEU	213	CD1	18	1	2[F], 4[O], 10[C], 2[N],
LEU	213	O	2	1	1[O], 1[C],
VAL	220	C	3	1	1[O], 2[C],
VAL	220	O	3	1	1[O], 2[C],
VAL	220	CB	1	1	1[O],
VAL	220	N	3	1	1[O], 2[C],
VAL	220	CA	2	1	1[O], 1[C],
VAL	220	CG2	1	1	1[O],
GLY	221	CA	6	1	3[O], 3[C],
GLY	221	O	1	1	1[O],
GLY	221	C	2	1	1[O], 1[C],
GLY	221	N	6	1	3[O], 3[C],
THR	222	N	2	1	1[O], 1[C],
Total = 258

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 3BM_A_2(3EQC) / Model_13(3EQC/A) = [8.6]	Download	945.07	26.09	MKNRPALALDAAVVEKFQQDSKSYQINSNNSLQFRAFLFNEAGMYTKDGRELPSTVKKDDIDYSSKRNVGAGASGDVFFARLKNGTSIALKRIPISSKAHRDEVDRELQVFMARGDSPYVMNNYGAFWDAEDDAIVIPMEWMPYTVKDLGLFWGGLNEALLKAVFFQVVSGLVYLHDVKRVLHRDLKPSNLLISETGHVKIADFGVSRLIQTLAVSSTYVGTMCFMAPERLEQGMYGFSSDVWSLGLTMIGAVTGKNPWAPPEEMNLYQLLGKMANGSTPTLPKSGAFSDDVKDFVKQCLERDPDTRPTCAELLQHRFFDGVTTESAVAMVKMAVEQMTRLINNNAQKEKEVTRSQESLEKDVKAQLDKMVL
Consensus [pKd Mean = 8.60]	-	945 (s=0)	26 (s=0)	MKNRPALALDAAVVEKFQQDSKSYQINSNNSLQFRAFLFNEAGMYTKDGRELPSTVKKDDIDYSSKRNVGAGASGDVFFARLKNGTSIALKRIPISSKAHRDEVDRELQVFMARGDSPYVMNNYGAFWDAEDDAIVIPMEWMPYTVKDLGLFWGGLNEALLKAVFFQVVSGLVYLHDVKRVLHRDLKPSNLLISETGHVKIADFGVSRLIQTLAVSSTYVGTMCFMAPERLEQGMYGFSSDVWSLGLTMIGAVTGKNPWAPPEEMNLYQLLGKMANGSTPTLPKSGAFSDDVKDFVKQCLERDPDTRPTCAELLQHRFFDGVTTESAVAMVKMAVEQMTRLINNNAQKEKEVTRSQESLEKDVKAQLDKMVL


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