Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: ANP_B_8(1Q99) / Model_33(1Q99/B) = [5.5]	Download	1175.57	23.57	MGPDCTAGGNGGGAHRYPPHRDVRGDEEASPRCPSPHRMRLQKQQCFQSSPENQQQQHPRALSSSNPGSPLMYTVCPATPDRSMNPYDRASPLYRSHASPHSRLGDSASPSSAMTEAGMYESNSDLSAVCPTWFNRCAASSPSLSSVMASRHLPPLQAHSPDPQSRCPQPFNSIAAAVSYSSPLGVASNESPHMKTALTSFGEASWGGLTSPNSNRGGMMASAPQQQSLGNCRSNVGHVMLPEEVSHPSKLAQSGMLNSSPSHSGGAGPARVSGASPYQCALDGLASQQQEKQQQSTLERYAPGNVTTPVGASSSAAAGGASPGSVPTGDADADKIVPRQHGDNNSLALNSSLEERLPTTAASVPHRHTSPSSVSWPRDAFASSPFSRDAPPSSHLHPRAAISPARESTPVMPLKTSPKTTSTPLRVDDSAPGGVEADCFSEARGSRASPPRPHAFSQHQSPEKGFIDSQSTGTPHPQPQPIHPLAPTSSSPQALKSPAMFGVIDLSYSRTDASGSNATPPMPTGATSVGASAVVKTRTQVRTPSRAPAVISVRVPVPSLPSNNSTPATSVNHADPTAAAASLSSTSAAATAVAPLNGGSSCSELTAHSGTTILRMVHSAGQRDSSYSTLHTTLSHSRDATTATATTTATTTPGYSPRADSQTPVHTATIASQHGTLFTPLSPLLAESDDDAVEAEQQQQQRKAVQSQQHMKSVASTALMAARVRKTAVSSPTVSVDAVRKPERSSQALTLTADTVLPVAVQEDEARCSSSAATTATRSSSNSRAQLSSSASLSRSINATTLTEPKGGTAGVAASGTGRLERVRTVVRAGSVSARNVASRERGPREKFAATFAASSSFSSKVAAAASSASASSMDMGAVAGARGAHVRRQTSVSTASTSSVASDMLRAPPALASYSFVSSRAQMQRYIDQWRDRFEEDKNAYKEGGYLTVTPGRIVHSRYVLIQKLGWGEFSTVWLGYDTKHATLGRGLSQAFVAVKVAKCRSNVQEATRYEVSLLRYLEARLPRHAAITNIIDCFDVRGEFGMHTCMVLPLCGPNLLSIIERMKADRSRRNAEDLRMIKEIVLSVLISLHELSELNVVHTDIKPENVLCSAVDSKLVNSMEKFCIYNQERSHMISVEDFKKSMAQQSTEQLVYLADFGLSALLEPPGSAQLWMSACSNVDASLLAPLMRCKKNFPVTRSGVVDNHRGTLIQTREYRAPEVLLGLDFTCTTDVWSVGCMTFELITGCFLMDPKRKTREPRDMDIEHLAMMMQILGPLPSEITSIRVRNNDYYDAIIQGTPVPKSGFRPPPEYLHRFVDRNGKFIYASRYHSYPRRNLEMELEPYLGFREAQLAANFILSCLHSYDPKKRPSAKKLLSHQWLYGVGAASKEKTPSR
Consensus [pKd Mean = 5.50]	-	1175 (s=0)	23 (s=0)	MGPDCTAGGNGGGAHRYPPHRDVRGDEEASPRCPSPHRMRLQKQQCFQSSPENQQQQHPRALSSSNPGSPLMYTVCPATPDRSMNPYDRASPLYRSHASPHSRLGDSASPSSAMTEAGMYESNSDLSAVCPTWFNRCAASSPSLSSVMASRHLPPLQAHSPDPQSRCPQPFNSIAAAVSYSSPLGVASNESPHMKTALTSFGEASWGGLTSPNSNRGGMMASAPQQQSLGNCRSNVGHVMLPEEVSHPSKLAQSGMLNSSPSHSGGAGPARVSGASPYQCALDGLASQQQEKQQQSTLERYAPGNVTTPVGASSSAAAGGASPGSVPTGDADADKIVPRQHGDNNSLALNSSLEERLPTTAASVPHRHTSPSSVSWPRDAFASSPFSRDAPPSSHLHPRAAISPARESTPVMPLKTSPKTTSTPLRVDDSAPGGVEADCFSEARGSRASPPRPHAFSQHQSPEKGFIDSQSTGTPHPQPQPIHPLAPTSSSPQALKSPAMFGVIDLSYSRTDASGSNATPPMPTGATSVGASAVVKTRTQVRTPSRAPAVISVRVPVPSLPSNNSTPATSVNHADPTAAAASLSSTSAAATAVAPLNGGSSCSELTAHSGTTILRMVHSAGQRDSSYSTLHTTLSHSRDATTATATTTATTTPGYSPRADSQTPVHTATIASQHGTLFTPLSPLLAESDDDAVEAEQQQQQRKAVQSQQHMKSVASTALMAARVRKTAVSSPTVSVDAVRKPERSSQALTLTADTVLPVAVQEDEARCSSSAATTATRSSSNSRAQLSSSASLSRSINATTLTEPKGGTAGVAASGTGRLERVRTVVRAGSVSARNVASRERGPREKFAATFAASSSFSSKVAAAASSASASSMDMGAVAGARGAHVRRQTSVSTASTSSVASDMLRAPPALASYSFVSSRAQMQRYIDQWRDRFEEDKNAYKEGGYLTVTPGRIVHSRYVLIQKLGWGEFSTVWLGYDTKHATLGRGLSQAFVAVKVAKCRSNVQEATRYEVSLLRYLEARLPRHAAITNIIDCFDVRGEFGMHTCMVLPLCGPNLLSIIERMKADRSRRNAEDLRMIKEIVLSVLISLHELSELNVVHTDIKPENVLCSAVDSKLVNSMEKFCIYNQERSHMISVEDFKKSMAQQSTEQLVYLADFGLSALLEPPGSAQLWMSACSNVDASLLAPLMRCKKNFPVTRSGVVDNHRGTLIQTREYRAPEVLLGLDFTCTTDVWSVGCMTFELITGCFLMDPKRKTREPRDMDIEHLAMMMQILGPLPSEITSIRVRNNDYYDAIIQGTPVPKSGFRPPPEYLHRFVDRNGKFIYASRYHSYPRRNLEMELEPYLGFREAQLAANFILSCLHSYDPKKRPSAKKLLSHQWLYGVGAASKEKTPSR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
TYR	947	CE2	3	1	2[O], 1[P],
TYR	947	CZ	2	1	2[O],
TYR	947	CD2	1	1	1[O],
LYS	965	O	2	1	1[O], 1[C],
LYS	965	CG	1	1	1[O],
LYS	965	C	3	1	2[O], 1[C],
LEU	966	CB	19	1	4[O], 5[N], 10[C],
LEU	966	C	16	1	4[O], 3[N], 9[C],
LEU	966	O	13	1	3[O], 2[N], 8[C],
LEU	966	CD1	16	1	2[O], 5[N], 9[C],
LEU	966	CD2	12	1	2[O], 3[N], 7[C],
LEU	966	N	9	1	2[O], 2[N], 5[C],
LEU	966	CA	16	1	3[O], 4[N], 9[C],
LEU	966	CG	16	1	2[O], 5[N], 9[C],
GLY	967	O	18	1	6[O], 3[N], 7[C], 2[P],
GLY	967	N	16	1	4[O], 3[N], 9[C],
GLY	967	C	17	1	7[O], 2[N], 7[C], 1[P],
GLY	967	CA	15	1	5[O], 2[N], 7[C], 1[P],
TRP	968	CD1	3	1	1[O], 2[C],
TRP	968	N	17	1	8[O], 1[N], 6[C], 2[P],
TRP	968	C	23	1	12[O], 6[C], 2[N], 3[P],
TRP	968	CA	20	1	9[O], 6[C], 2[N], 3[P],
TRP	968	CB	11	1	7[O], 4[C],
TRP	968	O	23	1	12[O], 6[C], 2[N], 3[P],
TRP	968	CG	3	1	1[O], 2[C],
GLY	969	N	22	1	12[O], 6[C], 1[N], 3[P],
GLY	969	O	14	1	8[O], 2[C], 1[N], 3[P],
GLY	969	CA	21	1	12[O], 5[C], 1[N], 3[P],
GLY	969	C	17	1	11[O], 2[C], 1[N], 3[P],
GLU	970	CA	12	1	7[O], 1[C], 1[N], 3[P],
GLU	970	CG	10	1	7[O], 1[N], 2[P],
GLU	970	O	9	1	6[O], 1[N], 2[P],
GLU	970	C	11	1	7[O], 1[N], 3[P],
GLU	970	OE2	6	1	4[O], 1[N], 1[P],
GLU	970	CD	7	1	4[O], 1[N], 2[P],
GLU	970	OE1	7	1	4[O], 1[N], 2[P],
GLU	970	N	15	1	9[O], 2[C], 1[N], 3[P],
GLU	970	CB	11	1	7[O], 1[N], 3[P],
PHE	971	CD1	12	1	8[O], 1[N], 3[P],
PHE	971	N	14	1	9[O], 1[C], 1[N], 3[P],
PHE	971	CE2	7	1	4[O], 1[N], 2[P],
PHE	971	CA	10	1	6[O], 1[N], 3[P],
PHE	971	CB	12	1	8[O], 1[N], 3[P],
PHE	971	C	9	1	5[O], 1[N], 3[P],
PHE	971	CG	11	1	7[O], 1[N], 3[P],
PHE	971	CE1	9	1	6[O], 1[N], 2[P],
PHE	971	CD2	8	1	5[O], 1[N], 2[P],
PHE	971	O	7	1	4[O], 1[N], 2[P],
PHE	971	CZ	7	1	4[O], 1[N], 2[P],
SER	972	OG	16	1	9[O], 3[C], 1[N], 3[P],
SER	972	C	15	1	9[O], 2[C], 1[N], 3[P],
SER	972	CA	12	1	7[O], 1[C], 1[N], 3[P],
SER	972	N	14	1	9[O], 1[C], 1[N], 3[P],
SER	972	O	15	1	9[O], 2[C], 1[N], 3[P],
SER	972	CB	11	1	6[O], 1[C], 1[N], 3[P],
THR	973	O	10	1	5[O], 4[C], 1[P],
THR	973	C	12	1	5[O], 1[N], 4[C], 2[P],
THR	973	CA	8	1	5[O], 2[C], 1[P],
THR	973	OG1	1	1	1[O],
THR	973	N	9	1	5[O], 2[C], 2[P],
VAL	974	CG2	29	1	10[O], 10[C], 6[N], 3[P],
VAL	974	C	15	1	3[O], 3[N], 9[C],
VAL	974	CA	21	1	7[O], 3[N], 9[C], 2[P],
VAL	974	N	18	1	7[O], 2[N], 7[C], 2[P],
VAL	974	CB	26	1	9[O], 5[N], 10[C], 2[P],
VAL	974	CG1	25	1	8[O], 5[N], 10[C], 2[P],
VAL	974	O	15	1	3[O], 3[N], 9[C],
TRP	975	O	12	1	1[O], 5[N], 6[C],
TRP	975	N	9	1	1[O], 3[N], 5[C],
TRP	975	C	8	1	1[O], 3[N], 4[C],
TRP	975	CA	5	1	1[O], 2[N], 2[C],
LEU	976	CB	2	1	1[N], 1[C],
LEU	976	CA	3	1	1[C], 2[N],
LEU	976	CD1	3	1	1[C], 2[N],
LEU	976	N	3	1	1[N], 2[C],
VAL	994	CA	3	1	2[N], 1[C],
VAL	994	O	6	1	3[N], 3[C],
VAL	994	C	7	1	3[N], 4[C],
ALA	995	O	10	1	5[C], 5[N],
ALA	995	CA	11	1	5[N], 6[C],
ALA	995	C	10	1	5[C], 5[N],
ALA	995	N	10	1	5[C], 5[N],
ALA	995	CB	13	1	1[O], 5[N], 7[C],
VAL	996	O	7	1	1[O], 2[N], 4[C],
VAL	996	C	8	1	1[O], 4[C], 3[N],
VAL	996	N	10	1	5[C], 5[N],
VAL	996	CA	5	1	2[N], 3[C],
LYS	997	CA	13	1	6[O], 2[N], 3[C], 2[P],
LYS	997	N	7	1	3[O], 2[C], 2[N],
LYS	997	O	1	1	1[O],
LYS	997	CE	25	1	10[O], 8[C], 4[N], 3[P],
LYS	997	NZ	24	1	10[O], 7[C], 4[N], 3[P],
LYS	997	CG	23	1	7[O], 9[C], 5[N], 2[P],
LYS	997	CD	25	1	8[O], 9[C], 5[N], 3[P],
LYS	997	C	3	1	2[O], 1[P],
LYS	997	CB	18	1	7[O], 6[C], 3[N], 2[P],
VAL	998	C	1	1	1[O],
VAL	998	N	1	1	1[O],
VAL	998	O	2	1	2[O],
ALA	999	CB	1	1	1[O],
ALA	999	CA	2	1	2[O],
ALA	999	N	1	1	1[O],
GLU	1012	OE1	10	1	6[O], 1[N], 3[P],
GLU	1012	CG	4	1	2[O], 1[N], 1[P],
GLU	1012	OE2	8	1	5[O], 1[N], 2[P],
GLU	1012	CB	1	1	1[O],
GLU	1012	CD	7	1	4[O], 1[N], 2[P],
THR	1030	CA	2	1	1[N], 1[C],
THR	1030	CG2	8	1	3[N], 5[C],
THR	1030	N	1	1	1[N],
THR	1030	OG1	6	1	3[N], 3[C],
THR	1030	CB	5	1	2[C], 3[N],
THR	1030	O	1	1	1[N],
THR	1030	C	1	1	1[N],
ASN	1031	N	1	1	1[N],
ASN	1031	O	1	1	1[N],
MET	1048	SD	1	1	1[O],
MET	1048	CB	1	1	1[O],
MET	1048	O	1	1	1[N],
MET	1048	CE	2	1	1[O], 1[P],
VAL	1049	O	1	1	1[N],
VAL	1049	C	1	1	1[N],
LEU	1050	CB	10	1	5[C], 5[N],
LEU	1050	O	6	1	3[C], 3[N],
LEU	1050	CD2	10	1	1[O], 5[C], 4[N],
LEU	1050	CG	9	1	1[O], 4[C], 4[N],
LEU	1050	CA	5	1	2[C], 3[N],
LEU	1050	C	6	1	3[C], 3[N],
LEU	1050	CD1	9	1	1[O], 4[C], 4[N],
LEU	1050	N	5	1	2[C], 3[N],
PRO	1051	N	6	1	3[C], 3[N],
PRO	1051	C	8	1	4[C], 4[N],
PRO	1051	CA	5	1	2[N], 3[C],
PRO	1051	CB	3	1	2[N], 1[C],
PRO	1051	CD	5	1	2[C], 3[N],
PRO	1051	O	10	1	5[C], 5[N],
PRO	1051	CG	4	1	2[N], 2[C],
LEU	1052	N	8	1	4[C], 4[N],
LEU	1052	CB	8	1	4[C], 4[N],
LEU	1052	CD1	11	1	5[N], 6[C],
LEU	1052	CA	9	1	4[C], 5[N],
LEU	1052	CG	8	1	4[C], 4[N],
LEU	1052	C	9	1	4[C], 5[N],
LEU	1052	CD2	6	1	3[N], 3[C],
LEU	1052	O	7	1	3[N], 4[C],
CYS	1053	N	10	1	5[C], 5[N],
CYS	1053	CA	9	1	4[C], 5[N],
CYS	1053	C	9	1	4[C], 5[N],
CYS	1053	SG	8	1	4[C], 4[N],
CYS	1053	CB	10	1	5[C], 5[N],
CYS	1053	O	13	1	1[O], 5[N], 7[C],
GLY	1054	CA	5	1	2[N], 3[C],
GLY	1054	C	6	1	2[N], 4[C],
GLY	1054	O	13	1	1[O], 5[N], 7[C],
GLY	1054	N	7	1	3[N], 4[C],
PRO	1055	O	3	1	1[C], 2[N],
PRO	1055	CA	3	1	1[C], 2[N],
PRO	1055	N	3	1	1[C], 2[N],
PRO	1055	C	2	1	1[N], 1[C],
ASN	1056	ND2	6	1	2[O], 4[C],
ASN	1056	N	2	1	1[O], 1[C],
ASN	1056	CB	4	1	2[O], 2[C],
ASN	1056	OD1	1	1	1[O],
ASN	1056	CG	4	1	2[O], 2[C],
HIS	1100	CE1	1	1	1[O],
ASP	1102	CB	1	1	1[O],
ASP	1102	O	1	1	1[O],
ASP	1102	CG	2	1	1[O], 1[P],
ASP	1102	OD2	6	1	4[O], 1[N], 1[P],
ASP	1102	OD1	1	1	1[O],
LYS	1104	NZ	4	1	3[O], 1[P],
LYS	1104	CE	4	1	3[O], 1[P],
GLU	1106	CG	1	1	1[O],
GLU	1106	C	4	1	2[O], 2[C],
GLU	1106	CB	3	1	2[O], 1[C],
GLU	1106	O	9	1	4[O], 4[C], 1[P],
GLU	1106	CA	2	1	1[O], 1[C],
ASN	1107	CG	10	1	6[O], 1[C], 1[N], 2[P],
ASN	1107	ND2	7	1	4[O], 1[N], 2[P],
ASN	1107	CA	3	1	2[O], 1[C],
ASN	1107	OD1	16	1	8[O], 4[C], 1[N], 3[P],
ASN	1107	N	2	1	2[O],
ASN	1107	CB	4	1	3[O], 1[P],
LEU	1109	CD2	18	1	4[O], 5[N], 9[C],
LEU	1109	CB	10	1	5[C], 5[N],
LEU	1109	CD1	19	1	5[O], 5[N], 9[C],
LEU	1109	CA	3	1	1[N], 2[C],
LEU	1109	CG	15	1	2[O], 5[N], 8[C],
TYR	1154	CB	1	1	1[N],
ALA	1156	O	6	1	4[O], 1[N], 1[P],
ALA	1156	CA	9	1	3[O], 2[N], 3[C], 1[P],
ALA	1156	C	11	1	5[O], 2[C], 3[N], 1[P],
ALA	1156	CB	16	1	3[O], 5[N], 7[C], 1[P],
ALA	1156	N	1	1	1[O],
ASP	1157	C	13	1	9[O], 1[N], 3[P],
ASP	1157	OD1	18	1	9[O], 4[C], 2[N], 3[P],
ASP	1157	O	12	1	8[O], 1[N], 3[P],
ASP	1157	OD2	18	1	10[O], 4[C], 1[N], 3[P],
ASP	1157	CG	19	1	10[O], 4[C], 2[N], 3[P],
ASP	1157	N	19	1	7[O], 5[C], 4[N], 3[P],
ASP	1157	CA	18	1	9[O], 4[C], 2[N], 3[P],
ASP	1157	CB	23	1	11[O], 6[C], 3[N], 3[P],
PHE	1158	C	8	1	4[O], 1[N], 3[P],
PHE	1158	N	10	1	6[O], 1[N], 3[P],
PHE	1158	O	4	1	3[O], 1[N],
PHE	1158	CA	7	1	4[O], 1[N], 2[P],
PHE	1158	CB	1	1	1[O],
GLY	1159	O	7	1	4[O], 1[N], 2[P],
GLY	1159	C	11	1	8[O], 1[N], 2[P],
GLY	1159	CA	12	1	8[O], 1[N], 3[P],
GLY	1159	N	12	1	8[O], 1[N], 3[P],
LEU	1160	C	1	1	1[O],
LEU	1160	CD1	6	1	4[O], 1[N], 1[P],
LEU	1160	CG	9	1	6[O], 1[N], 2[P],
LEU	1160	CA	4	1	2[O], 1[N], 1[P],
LEU	1160	CD2	7	1	4[O], 1[N], 2[P],
LEU	1160	CB	4	1	2[O], 1[N], 1[P],
LEU	1160	N	10	1	7[O], 1[N], 2[P],
SER	1161	N	1	1	1[O],
Total = 219


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