Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_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 C2_S1
Complex: ANP_A_2(5HV1) / Model_2(5HV1/A) = [6.0]	Download	897.15	39.23	MEARVIGLEKLGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQSGLNARIQAELAELNVDDVNALAETGAKIRQWIVETPLTPGLEQEIREAFAALSNGNPDIAVAVRSSATAEDLPDASFAGQQETFLNIRGIDNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMVRSETGAAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEEGSAGKSVVVVDVEKQERQQFALNDHELQELAKQALIIEKHYGAPMDIEWAKDGDDGQIYIVQARPETVKSRQNVGTMERYLLKQKGTVLCEGRSIGQRIGSGKVRIVNSIKEMDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNATEVLTDGQEVTVSCAEGDTGFIYEGALDFEVQRNSIESMPKLSFKIMMNVGNPDRAFDFAQIPNEGIGLARLEFIINRMIGVHPKALLNIESLPRETRAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPVIVRMSDFKSNEYANLIGGKLYEPEEENPMLGFRGASRYISDNFRDCFELECRALKKVRDEMGLTNIQIMIPFVRTVSEAKRVIELLAQNGLKRGENGLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRDSGIVSHLFDERDAAVKALLSMAIHACRKAGKYVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI
Consensus [pKd Mean = 6.00]	-	897 (s=0)	39 (s=0)	MEARVIGLEKLGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQSGLNARIQAELAELNVDDVNALAETGAKIRQWIVETPLTPGLEQEIREAFAALSNGNPDIAVAVRSSATAEDLPDASFAGQQETFLNIRGIDNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMVRSETGAAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEEGSAGKSVVVVDVEKQERQQFALNDHELQELAKQALIIEKHYGAPMDIEWAKDGDDGQIYIVQARPETVKSRQNVGTMERYLLKQKGTVLCEGRSIGQRIGSGKVRIVNSIKEMDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNATEVLTDGQEVTVSCAEGDTGFIYEGALDFEVQRNSIESMPKLSFKIMMNVGNPDRAFDFAQIPNEGIGLARLEFIINRMIGVHPKALLNIESLPRETRAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPVIVRMSDFKSNEYANLIGGKLYEPEEENPMLGFRGASRYISDNFRDCFELECRALKKVRDEMGLTNIQIMIPFVRTVSEAKRVIELLAQNGLKRGENGLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRDSGIVSHLFDERDAAVKALLSMAIHACRKAGKYVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	22	CG	5	1	1[P], 4[O],
LYS	22	CD	8	1	6[O], 2[P],
LYS	22	NZ	14	1	3[P], 1[C], 1[N], 9[O],
LYS	22	CE	13	1	1[N], 9[O], 3[P],
LYS	22	CB	3	1	3[O],
PRO	41	CG	1	1	1[N],
PRO	41	CB	1	1	1[N],
ALA	120	CA	5	1	2[C], 3[N],
ALA	120	C	1	1	1[N],
ALA	120	CB	10	1	5[C], 5[N],
ALA	120	N	2	1	1[N], 1[C],
VAL	121	O	1	1	1[O],
ARG	122	CD	12	1	3[N], 3[O], 1[P], 5[C],
ARG	122	CB	8	1	1[N], 4[O], 2[C], 1[P],
ARG	122	CZ	16	1	1[P], 8[C], 4[O], 3[N],
ARG	122	CG	10	1	3[O], 3[N], 1[P], 3[C],
ARG	122	N	1	1	1[O],
ARG	122	NE	17	1	3[N], 5[O], 1[P], 8[C],
ARG	122	C	2	1	2[O],
ARG	122	CA	3	1	2[O], 1[P],
SER	123	CA	2	1	2[O],
SER	123	CB	2	1	2[O],
SER	123	N	4	1	3[O], 1[P],
SER	123	OG	6	1	1[P], 1[N], 4[O],
SER	123	C	2	1	2[O],
SER	123	O	6	1	4[O], 2[P],
SER	124	CA	1	1	1[O],
SER	124	N	1	1	1[O],
SER	134	OG	1	1	1[O],
PHE	135	C	3	1	1[P], 2[O],
PHE	135	CB	1	1	1[O],
PHE	135	N	1	1	1[O],
PHE	135	O	5	1	1[P], 1[N], 3[O],
PHE	135	CA	1	1	1[O],
ALA	136	C	5	1	3[O], 1[N], 1[P],
ALA	136	O	3	1	1[O], 1[N], 1[P],
ALA	136	CA	5	1	1[P], 3[O], 1[N],
ALA	136	N	4	1	1[P], 3[O],
ALA	136	CB	4	1	1[P], 2[O], 1[N],
GLY	137	N	8	1	1[N], 5[O], 2[P],
GLY	137	C	3	1	1[P], 1[O], 1[N],
GLY	137	CA	8	1	1[N], 5[O], 2[P],
GLY	137	O	2	1	1[O], 1[N],
GLN	138	CA	1	1	1[O],
GLN	138	N	4	1	2[O], 1[N], 1[P],
GLN	138	CB	1	1	1[O],
GLN	139	C	4	1	1[N], 3[O],
GLN	139	OE1	3	1	2[O], 1[P],
GLN	139	N	4	1	2[O], 1[N], 1[P],
GLN	139	CB	1	1	1[O],
GLN	139	O	8	1	1[N], 5[O], 2[P],
GLU	140	O	2	1	2[O],
GLU	140	CA	1	1	1[O],
GLU	140	C	2	1	2[O],
THR	141	N	4	1	1[C], 1[P], 2[O],
THR	141	CG2	14	1	1[P], 5[C], 6[O], 2[N],
THR	141	CB	11	1	2[P], 3[C], 6[O],
THR	141	C	2	1	1[C], 1[O],
THR	141	O	1	1	1[O],
THR	141	CA	4	1	2[O], 1[P], 1[C],
THR	141	OG1	13	1	7[O], 1[N], 2[P], 3[C],
LEU	143	CG	13	1	1[O], 4[N], 8[C],
LEU	143	CD2	15	1	9[C], 1[O], 5[N],
LEU	143	CD1	15	1	9[C], 2[O], 4[N],
LEU	143	CB	5	1	2[C], 2[N], 1[O],
GLN	188	C	1	1	1[N],
GLN	188	CD	4	1	2[N], 2[C],
GLN	188	CG	2	1	1[C], 1[N],
GLN	188	O	2	1	1[N], 1[C],
GLN	188	NE2	2	1	1[C], 1[N],
GLN	188	OE1	6	1	3[N], 3[C],
GLN	188	CB	2	1	1[N], 1[C],
GLN	188	CA	1	1	1[N],
ARG	189	O	3	1	1[C], 2[N],
ARG	189	N	1	1	1[N],
ARG	189	C	3	1	1[C], 2[N],
ARG	189	CA	1	1	1[N],
MET	190	SD	8	1	4[N], 4[C],
MET	190	C	4	1	2[N], 2[C],
MET	190	CG	4	1	2[C], 2[N],
MET	190	CE	7	1	3[N], 4[C],
MET	190	CB	4	1	2[C], 2[N],
MET	190	N	3	1	1[C], 2[N],
MET	190	O	1	1	1[N],
MET	190	CA	4	1	2[C], 2[N],
VAL	191	N	5	1	3[N], 2[C],
VAL	191	CG2	4	1	2[C], 2[N],
VAL	191	C	2	1	1[N], 1[C],
VAL	191	CG1	2	1	1[N], 1[C],
VAL	191	CB	4	1	2[C], 2[N],
VAL	191	CA	4	1	2[C], 2[N],
VAL	191	O	4	1	2[C], 2[N],
ALA	198	CB	1	1	1[O],
GLY	199	O	1	1	1[O],
LEU	222	C	3	1	1[N], 1[O], 1[C],
LEU	222	CG	2	1	1[C], 1[N],
LEU	222	CD2	7	1	4[C], 3[N],
LEU	222	CB	2	1	1[C], 1[N],
LEU	222	O	1	1	1[O],
LEU	222	CA	2	1	1[C], 1[N],
LEU	222	CD1	2	1	1[C], 1[N],
GLY	223	CA	10	1	2[N], 3[O], 5[C],
GLY	223	N	8	1	4[C], 2[N], 2[O],
GLY	223	O	7	1	3[O], 4[C],
GLY	223	C	9	1	4[C], 2[N], 3[O],
GLU	224	OE1	11	1	5[C], 1[N], 5[O],
GLU	224	CG	2	1	1[C], 1[O],
GLU	224	OE2	3	1	1[O], 2[C],
GLU	224	N	9	1	2[N], 3[O], 4[C],
GLU	224	CD	5	1	4[C], 1[O],
GLU	224	CB	5	1	3[C], 2[O],
GLU	224	CA	7	1	4[C], 3[O],
GLU	224	C	2	1	2[O],
VAL	226	CG1	2	1	2[O],
VAL	227	CA	2	1	2[O],
VAL	227	CB	8	1	5[O], 3[C],
VAL	227	CG2	8	1	1[P], 3[C], 4[O],
VAL	227	CG1	11	1	1[P], 4[C], 6[O],
VAL	227	N	2	1	2[O],
GLN	228	CD	1	1	1[O],
GLN	228	NE2	6	1	3[O], 2[C], 1[P],
TYR	264	CD1	1	1	1[C],
TYR	264	CZ	5	1	3[C], 2[N],
TYR	264	CE1	3	1	2[N], 1[C],
TYR	264	CE2	2	1	1[C], 1[N],
GLU	315	OE2	15	1	2[P], 6[C], 7[O],
GLU	315	CG	7	1	4[C], 1[N], 2[O],
GLU	315	CB	4	1	2[C], 2[O],
GLU	315	OE1	10	1	5[O], 5[C],
GLU	315	CD	10	1	1[N], 4[O], 5[C],
ALA	317	CB	1	1	1[C],
VAL	328	C	1	1	1[N],
VAL	328	O	4	1	1[O], 1[N], 2[C],
VAL	328	CG2	10	1	5[N], 5[C],
VAL	328	CB	10	1	5[C], 5[N],
VAL	328	CG1	15	1	8[C], 2[O], 5[N],
VAL	328	CA	3	1	2[N], 1[C],
GLN	329	CG	3	1	3[O],
GLN	329	CB	1	1	1[O],
GLN	329	NE2	11	1	7[O], 1[N], 3[P],
GLN	329	CD	11	1	3[P], 7[O], 1[N],
GLN	329	OE1	18	1	10[O], 1[N], 4[C], 3[P],
ARG	331	CD	2	1	2[O],
ARG	331	CZ	6	1	1[P], 4[O], 1[N],
ARG	331	NE	3	1	1[P], 2[O],
Total = 145


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