Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	4	O	8	1	5[O], 3[C],
ILE	4	C	1	1	1[C],
PRO	5	C	5	1	3[O], 2[C],
PRO	5	CA	1	1	1[C],
PRO	5	O	1	1	1[O],
ALA	6	O	8	1	4[O], 4[C],
ALA	6	CA	12	1	5[C], 6[O], 1[P],
ALA	6	N	10	1	4[C], 1[P], 5[O],
ALA	6	C	8	1	5[C], 3[O],
ALA	6	CB	15	1	1[P], 8[O], 6[C],
ILE	7	CA	3	1	1[C], 2[O],
ILE	7	C	5	1	2[O], 3[C],
ILE	7	CB	1	1	1[O],
ILE	7	O	6	1	3[O], 3[C],
ILE	7	N	7	1	2[O], 5[C],
ASP	8	CA	9	1	3[O], 6[C],
ASP	8	N	5	1	3[C], 2[O],
ASP	8	OD1	20	1	1[P], 7[O], 12[C],
ASP	8	C	4	1	2[C], 2[O],
ASP	8	CB	13	1	4[O], 9[C],
ASP	8	O	1	1	1[O],
ASP	8	CG	18	1	6[O], 1[P], 11[C],
ASP	8	OD2	19	1	10[C], 8[O], 1[P],
LEU	9	N	2	1	1[O], 1[C],
VAL	15	CB	1	1	1[O],
VAL	15	CG1	2	1	2[O],
HIS	48	CA	3	1	2[O], 1[C],
HIS	48	CE1	14	1	9[C], 5[O],
HIS	48	C	3	1	1[C], 2[O],
HIS	48	CG	13	1	8[C], 5[O],
HIS	48	O	9	1	3[O], 6[C],
HIS	48	N	1	1	1[O],
HIS	48	CB	10	1	4[O], 6[C],
HIS	48	CD2	16	1	6[O], 10[C],
HIS	48	NE2	17	1	6[O], 11[C],
HIS	48	ND1	13	1	5[O], 8[C],
LEU	49	CA	2	1	2[O],
LEU	49	O	5	1	2[C], 3[O],
LEU	49	N	2	1	2[O],
LEU	49	C	5	1	3[O], 2[C],
VAL	50	O	8	1	5[C], 3[O],
VAL	50	CG1	15	1	4[O], 11[C],
VAL	50	CG2	17	1	12[C], 5[O],
VAL	50	C	12	1	3[O], 9[C],
VAL	50	CB	15	1	11[C], 4[O],
VAL	50	CA	12	1	9[C], 3[O],
VAL	50	N	8	1	5[C], 3[O],
ASP	51	N	10	1	3[O], 7[C],
ASP	51	C	9	1	2[O], 7[C],
ASP	51	CA	6	1	2[O], 4[C],
ASP	51	O	9	1	7[C], 2[O],
LEU	52	N	10	1	2[O], 8[C],
LEU	52	CB	9	1	8[C], 1[O],
LEU	52	CD2	12	1	2[O], 10[C],
LEU	52	C	6	1	6[C],
LEU	52	CG	14	1	10[C], 4[O],
LEU	52	O	6	1	6[C],
LEU	52	CD1	14	1	4[O], 10[C],
LEU	52	CA	10	1	2[O], 8[C],
ASN	53	N	2	1	2[C],
GLY	54	O	1	1	1[C],
GLY	54	C	2	1	2[C],
ALA	55	N	8	1	7[C], 1[O],
ALA	55	O	6	1	5[C], 1[O],
ALA	55	CA	8	1	7[C], 1[O],
ALA	55	C	7	1	6[C], 1[O],
ALA	55	CB	10	1	8[C], 2[O],
PHE	56	CA	3	1	3[C],
PHE	56	CE2	4	1	4[C],
PHE	56	CZ	6	1	6[C],
PHE	56	CG	4	1	4[C],
PHE	56	CE1	7	1	7[C],
PHE	56	CB	2	1	2[C],
PHE	56	N	5	1	5[C],
PHE	56	CD1	6	1	6[C],
PHE	56	CD2	2	1	2[C],
GLN	79	O	1	1	1[O],
ILE	80	O	3	1	1[C], 2[O],
ILE	80	C	3	1	2[O], 1[C],
GLY	81	CA	6	1	4[C], 2[O],
GLY	81	C	9	1	2[O], 7[C],
GLY	81	N	4	1	2[C], 2[O],
GLY	81	O	9	1	6[C], 3[O],
GLY	82	O	6	1	4[C], 2[O],
GLY	82	C	8	1	6[C], 2[O],
GLY	82	CA	9	1	2[O], 7[C],
GLY	82	N	9	1	2[O], 7[C],
GLY	83	N	8	1	6[C], 2[O],
GLY	83	C	1	1	1[O],
GLY	83	CA	5	1	1[O], 4[C],
ILE	84	CD1	2	1	1[O], 1[C],
ILE	84	N	1	1	1[O],
ILE	84	CG1	1	1	1[O],
ILE	84	CA	1	1	1[O],
ILE	84	CB	1	1	1[O],
ILE	102	CB	4	1	2[O], 2[C],
ILE	102	CG2	5	1	3[C], 2[O],
ILE	102	CA	3	1	2[O], 1[C],
ILE	102	CD1	6	1	3[C], 3[O],
ILE	102	O	3	1	2[O], 1[C],
ILE	102	CG1	3	1	2[O], 1[C],
ILE	102	C	3	1	1[C], 2[O],
ILE	102	N	2	1	2[O],
ILE	103	C	2	1	1[C], 1[O],
ILE	103	N	1	1	1[O],
ILE	103	CA	1	1	1[O],
ILE	103	O	2	1	1[O], 1[C],
GLY	104	CA	6	1	4[C], 2[O],
GLY	104	N	3	1	2[C], 1[O],
GLY	104	C	2	1	1[C], 1[O],
THR	105	OG1	1	1	1[O],
THR	105	N	3	1	1[O], 2[C],
ILE	126	CD1	1	1	1[O],
GLY	128	C	1	1	1[O],
GLY	128	N	1	1	1[O],
GLY	128	CA	3	1	2[O], 1[C],
ASP	130	OD1	11	1	8[C], 3[O],
ASP	130	CB	4	1	1[O], 3[C],
ASP	130	OD2	9	1	2[O], 7[C],
ASP	130	CG	9	1	2[O], 7[C],
GLY	140	O	3	1	3[C],
GLY	140	CA	3	1	3[C],
GLY	140	C	5	1	5[C],
TRP	141	CA	8	1	7[C], 1[O],
TRP	141	CE2	8	1	8[C],
TRP	141	O	9	1	7[C], 2[O],
TRP	141	CZ3	4	1	4[C],
TRP	141	N	8	1	7[C], 1[O],
TRP	141	C	8	1	1[O], 7[C],
TRP	141	CG	11	1	9[C], 2[O],
TRP	141	CZ2	7	1	7[C],
TRP	141	CB	11	1	9[C], 2[O],
TRP	141	CD1	12	1	10[C], 2[O],
TRP	141	CD2	8	1	8[C],
TRP	141	CE3	7	1	7[C],
TRP	141	NE1	12	1	2[O], 10[C],
ALA	142	C	3	1	3[C],
ALA	142	CB	8	1	1[O], 7[C],
ALA	142	O	2	1	2[C],
ALA	142	N	6	1	6[C],
ALA	142	CA	6	1	6[C],
ASN	143	ND2	2	1	2[C],
ASN	143	N	3	1	3[C],
ASN	143	CG	1	1	1[C],
ASN	143	OD1	2	1	2[C],
VAL	165	CG2	3	1	2[O], 1[C],
VAL	165	CG1	6	1	3[O], 3[C],
VAL	165	CB	3	1	2[O], 1[C],
TYR	166	C	1	1	1[O],
TYR	166	O	1	1	1[O],
THR	167	OG1	15	1	10[C], 5[O],
THR	167	N	1	1	1[O],
THR	167	CG2	15	1	9[C], 1[P], 5[O],
THR	167	C	1	1	1[O],
THR	167	CA	2	1	1[O], 1[C],
THR	167	CB	11	1	8[C], 3[O],
ASP	168	N	1	1	1[O],
ASP	168	C	1	1	1[O],
ASP	168	O	2	1	2[O],
ILE	169	CG2	1	1	1[C],
ARG	171	C	7	1	1[C], 5[O], 1[P],
ARG	171	CB	1	1	1[O],
ARG	171	O	8	1	2[C], 5[O], 1[P],
ARG	171	N	1	1	1[O],
ARG	171	CA	1	1	1[O],
ASP	172	C	12	1	5[C], 6[O], 1[P],
ASP	172	CB	16	1	8[C], 7[O], 1[P],
ASP	172	N	9	1	3[C], 1[P], 5[O],
ASP	172	O	11	1	4[C], 6[O], 1[P],
ASP	172	OD2	21	1	8[O], 1[P], 12[C],
ASP	172	OD1	21	1	8[O], 1[P], 12[C],
ASP	172	CA	12	1	5[C], 6[O], 1[P],
ASP	172	CG	21	1	1[P], 8[O], 12[C],
GLY	173	C	9	1	6[O], 1[P], 2[C],
GLY	173	N	12	1	5[C], 6[O], 1[P],
GLY	173	CA	12	1	5[C], 6[O], 1[P],
GLY	173	O	5	1	4[O], 1[P],
MET	174	CB	2	1	1[O], 1[P],
MET	174	CA	5	1	1[P], 4[O],
MET	174	C	4	1	3[O], 1[P],
MET	174	SD	1	1	1[O],
MET	174	CG	1	1	1[O],
MET	174	N	6	1	1[P], 4[O], 1[C],
MET	174	O	1	1	1[O],
MET	175	C	1	1	1[O],
MET	175	CE	4	1	3[O], 1[P],
MET	175	N	5	1	4[O], 1[P],
MET	175	CB	4	1	1[P], 3[O],
MET	175	CG	4	1	3[O], 1[P],
MET	175	SD	5	1	1[P], 4[O],
MET	175	CA	4	1	1[P], 3[O],
GLN	176	N	1	1	1[O],
GLY	177	C	1	1	1[O],
GLY	177	O	1	1	1[O],
GLY	177	N	1	1	1[O],
ALA	196	C	4	1	2[C], 2[O],
ALA	196	O	5	1	2[C], 3[O],
SER	197	C	13	1	5[C], 7[O], 1[P],
SER	197	CA	12	1	5[C], 1[P], 6[O],
SER	197	OG	19	1	9[C], 9[O], 1[P],
SER	197	O	10	1	1[P], 5[O], 4[C],
SER	197	N	6	1	3[C], 3[O],
SER	197	CB	15	1	7[O], 1[P], 7[C],
GLY	198	N	13	1	7[O], 1[P], 5[C],
GLY	198	CA	13	1	7[O], 1[P], 5[C],
GLY	198	C	10	1	3[C], 1[P], 6[O],
GLY	198	O	9	1	5[O], 1[P], 3[C],
GLY	199	CA	8	1	2[C], 1[P], 5[O],
GLY	199	N	10	1	6[O], 1[P], 3[C],
GLY	199	O	5	1	1[P], 4[O],
GLY	199	C	7	1	5[O], 1[P], 1[C],
VAL	200	CA	6	1	1[P], 4[O], 1[C],
VAL	200	CG2	5	1	1[C], 3[O], 1[P],
VAL	200	N	8	1	2[C], 5[O], 1[P],
VAL	200	CB	6	1	1[C], 1[P], 4[O],
VAL	200	O	6	1	4[O], 1[P], 1[C],
VAL	200	CG1	3	1	2[O], 1[P],
VAL	200	C	5	1	1[P], 4[O],
THR	201	CA	2	1	2[O],
THR	201	CG2	2	1	2[O],
THR	201	CB	1	1	1[O],
THR	201	N	3	1	2[O], 1[P],
ALA	218	O	1	1	1[C],
ALA	218	C	3	1	2[C], 1[O],
ILE	219	O	12	1	7[O], 1[P], 4[C],
ILE	219	CB	14	1	8[O], 1[P], 5[C],
ILE	219	CD1	12	1	6[C], 6[O],
ILE	219	CG1	9	1	5[O], 4[C],
ILE	219	CG2	14	1	5[C], 1[P], 8[O],
ILE	219	CA	10	1	4[C], 1[P], 5[O],
ILE	219	C	12	1	4[C], 7[O], 1[P],
ILE	219	N	6	1	3[O], 1[P], 2[C],
THR	220	CG2	8	1	2[C], 5[O], 1[P],
THR	220	CB	8	1	2[C], 5[O], 1[P],
THR	220	OG1	7	1	2[C], 1[P], 4[O],
THR	220	O	12	1	1[P], 7[O], 4[C],
THR	220	C	12	1	4[C], 1[P], 7[O],
THR	220	N	12	1	7[O], 1[P], 4[C],
THR	220	CA	12	1	4[C], 7[O], 1[P],
GLY	221	N	13	1	5[C], 7[O], 1[P],
GLY	221	C	12	1	4[C], 7[O], 1[P],
GLY	221	CA	13	1	7[O], 1[P], 5[C],
GLY	221	O	9	1	1[P], 5[O], 3[C],
ARG	222	CZ	5	1	4[O], 1[P],
ARG	222	C	7	1	1[C], 1[P], 5[O],
ARG	222	O	4	1	3[O], 1[P],
ARG	222	N	12	1	4[C], 1[P], 7[O],
ARG	222	CA	9	1	5[O], 1[P], 3[C],
ARG	222	CB	9	1	3[C], 5[O], 1[P],
ARG	222	NE	6	1	5[O], 1[P],
ARG	222	CG	6	1	5[O], 1[P],
ARG	222	CD	4	1	3[O], 1[P],
ALA	223	N	6	1	1[P], 4[O], 1[C],
ALA	223	O	1	1	1[O],
ALA	223	CA	4	1	1[P], 3[O],
ALA	223	C	3	1	1[P], 2[O],
ALA	223	CB	4	1	3[O], 1[P],
ILE	224	CD1	1	1	1[O],
ILE	224	CB	1	1	1[O],
ILE	224	CG1	1	1	1[O],
ILE	224	N	3	1	1[P], 2[O],
ILE	224	CA	1	1	1[O],
TYR	225	N	2	1	2[O],
TYR	225	CB	1	1	1[O],
TYR	225	CG	1	1	1[O],
TYR	225	CE2	4	1	4[O],
TYR	225	CD2	4	1	3[O], 1[P],
Total = 267

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 137_C_16(2Y85) / Model_31(2Y85/C) = [4.4]	Download	820.87	18.97	MLIIPAIDLKDGKCVRLKQGRMEDDTVFSDDLVATAQHWVNEGARRLHLVDLNGAFAGTPIHKPVVEAIAKAQPELPIQIGGGIRSLETIEHYLEAGVTFVIIGTKAVQEPEFVEEACKSFAGHIIVGIDAMNGMVATDGWANVTDVKATDLAKRFADAGVSSIVYTDIARDGMMQGVNVEQTVNLAQYSGLPVIASGGVTNLDDVRNLKGQLGILGAITGRAIYEGTLNLREAQLLLDENRL
Consensus [pKd Mean = 4.40]	-	820 (s=0)	18 (s=0)	MLIIPAIDLKDGKCVRLKQGRMEDDTVFSDDLVATAQHWVNEGARRLHLVDLNGAFAGTPIHKPVVEAIAKAQPELPIQIGGGIRSLETIEHYLEAGVTFVIIGTKAVQEPEFVEEACKSFAGHIIVGIDAMNGMVATDGWANVTDVKATDLAKRFADAGVSSIVYTDIARDGMMQGVNVEQTVNLAQYSGLPVIASGGVTNLDDVRNLKGQLGILGAITGRAIYEGTLNLREAQLLLDENRL


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