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: 609_A_2(2ZV2) / Model_4(2ZV2/A) = [7.3]	Download	855.90	24.15	MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA
Consensus [pKd Mean = 7.30]	-	855 (s=0)	24 (s=0)	MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLN	583	O	3	1	3[C],
GLN	583	C	5	1	1[N], 4[C],
ILE	584	CG1	18	1	1[O], 2[N], 15[C],
ILE	584	CB	14	1	1[O], 2[N], 11[C],
ILE	584	C	15	1	1[O], 2[N], 12[C],
ILE	584	CD1	20	1	1[O], 2[N], 17[C],
ILE	584	CA	12	1	1[O], 2[N], 9[C],
ILE	584	CG2	11	1	1[O], 2[N], 8[C],
ILE	584	N	10	1	8[C], 2[N],
ILE	584	O	15	1	1[O], 2[N], 12[C],
GLY	585	CA	16	1	2[N], 14[C],
GLY	585	N	15	1	2[N], 13[C],
GLY	585	C	12	1	2[N], 10[C],
GLY	585	O	10	1	2[N], 8[C],
HIS	586	CB	1	1	1[C],
HIS	586	N	11	1	1[O], 2[N], 8[C],
HIS	586	C	6	1	1[O], 4[C], 1[N],
HIS	586	O	2	1	2[C],
HIS	586	CA	7	1	1[O], 5[C], 1[N],
TYR	589	C	1	1	1[O],
TYR	589	CD1	1	1	1[O],
TYR	589	N	1	1	1[O],
TYR	589	O	4	1	1[O], 3[C],
TYR	589	CE1	1	1	1[O],
TYR	589	CA	1	1	1[O],
ALA	590	CB	1	1	1[O],
LYS	591	N	1	1	1[O],
LYS	591	CA	2	1	2[C],
LYS	591	C	5	1	1[O], 4[C],
LYS	591	O	4	1	1[O], 3[C],
VAL	592	C	13	1	2[N], 11[C],
VAL	592	CB	23	1	3[O], 2[N], 18[C],
VAL	592	O	12	1	2[N], 10[C],
VAL	592	CG1	23	1	3[O], 2[N], 18[C],
VAL	592	CA	17	1	1[O], 2[N], 14[C],
VAL	592	N	12	1	1[O], 2[N], 9[C],
VAL	592	CG2	21	1	3[O], 2[N], 16[C],
LYS	593	N	11	1	2[N], 9[C],
LYS	593	C	8	1	1[O], 2[N], 5[C],
LYS	593	O	12	1	1[O], 2[N], 9[C],
LYS	593	CA	5	1	3[C], 2[N],
LEU	594	CD2	4	1	1[O], 3[C],
LEU	594	CG	2	1	2[C],
LEU	594	CA	4	1	1[O], 3[C],
LEU	594	N	5	1	4[C], 1[N],
LEU	594	CB	2	1	2[C],
PHE	604	N	1	1	1[O],
PHE	604	C	8	1	1[O], 1[N], 6[C],
PHE	604	O	7	1	1[O], 1[N], 5[C],
PHE	604	CA	3	1	1[O], 2[C],
ALA	605	CA	18	1	1[O], 2[N], 15[C],
ALA	605	C	14	1	1[O], 1[N], 12[C],
ALA	605	N	13	1	1[O], 1[N], 11[C],
ALA	605	O	13	1	1[O], 1[N], 11[C],
ALA	605	CB	22	1	2[O], 2[N], 18[C],
LEU	606	C	10	1	10[C],
LEU	606	N	12	1	1[O], 1[N], 10[C],
LEU	606	O	9	1	9[C],
LEU	606	CA	6	1	6[C],
LYS	607	CD	11	1	2[O], 9[C],
LYS	607	CG	11	1	2[O], 9[C],
LYS	607	N	13	1	2[O], 11[C],
LYS	607	CB	13	1	2[O], 11[C],
LYS	607	C	1	1	1[O],
LYS	607	CE	11	1	2[O], 9[C],
LYS	607	NZ	10	1	2[O], 8[C],
LYS	607	CA	12	1	2[O], 10[C],
GLU	642	CG	3	1	2[O], 1[C],
GLU	642	OE1	3	1	2[O], 1[C],
GLU	642	CD	4	1	2[O], 2[C],
GLU	642	OE2	7	1	2[O], 5[C],
MET	646	CE	4	1	2[O], 2[C],
MET	646	SD	7	1	2[O], 5[C],
MET	646	CG	4	1	2[O], 2[C],
MET	646	CB	1	1	1[O],
VAL	654	O	1	1	1[C],
VAL	654	C	1	1	1[C],
VAL	655	CG1	17	1	3[O], 1[N], 13[C],
VAL	655	CA	11	1	2[O], 9[C],
VAL	655	C	6	1	1[O], 5[C],
VAL	655	CB	16	1	3[O], 1[N], 12[C],
VAL	655	N	5	1	1[O], 4[C],
VAL	655	O	4	1	1[O], 3[C],
VAL	655	CG2	14	1	2[O], 12[C],
LYS	656	CB	1	1	1[C],
LYS	656	O	4	1	4[C],
LYS	656	N	6	1	1[O], 5[C],
LYS	656	CA	3	1	3[C],
LYS	656	C	3	1	3[C],
LEU	657	N	3	1	3[C],
LEU	657	CD1	2	1	2[C],
LEU	657	CA	2	1	2[C],
LEU	657	CB	1	1	1[C],
ILE	671	CB	4	1	2[O], 2[C],
ILE	671	C	2	1	2[C],
ILE	671	CD1	3	1	2[O], 1[C],
ILE	671	CG2	5	1	2[O], 3[C],
ILE	671	O	5	1	5[C],
ILE	672	C	3	1	3[C],
ILE	672	O	3	1	3[C],
ILE	672	CA	3	1	3[C],
MET	673	CA	11	1	2[O], 9[C],
MET	673	N	9	1	2[O], 7[C],
MET	673	SD	10	1	2[O], 8[C],
MET	673	CG	16	1	3[O], 1[N], 12[C],
MET	673	CE	11	1	2[O], 9[C],
MET	673	O	8	1	1[O], 7[C],
MET	673	C	8	1	1[O], 7[C],
MET	673	CB	17	1	3[O], 1[N], 13[C],
GLU	674	CA	6	1	1[O], 5[C],
GLU	674	CG	2	1	2[C],
GLU	674	C	11	1	1[O], 1[N], 9[C],
GLU	674	O	14	1	1[O], 1[N], 12[C],
GLU	674	N	8	1	1[O], 7[C],
GLU	674	CB	4	1	1[O], 3[C],
TYR	675	N	10	1	1[O], 1[N], 8[C],
TYR	675	CE1	15	1	1[O], 2[N], 12[C],
TYR	675	CD1	15	1	1[O], 2[N], 12[C],
TYR	675	CZ	12	1	1[O], 2[N], 9[C],
TYR	675	O	9	1	1[O], 1[N], 7[C],
TYR	675	CA	15	1	1[O], 1[N], 13[C],
TYR	675	C	15	1	1[O], 1[N], 13[C],
TYR	675	CD2	11	1	1[O], 1[N], 9[C],
TYR	675	CE2	11	1	1[O], 1[N], 9[C],
TYR	675	CG	14	1	1[O], 2[N], 11[C],
TYR	675	CB	12	1	1[O], 1[N], 10[C],
CYS	676	CA	17	1	1[O], 2[N], 14[C],
CYS	676	N	17	1	1[O], 2[N], 14[C],
CYS	676	SG	17	1	1[O], 2[N], 14[C],
CYS	676	O	17	1	1[O], 2[N], 14[C],
CYS	676	C	15	1	1[O], 2[N], 12[C],
CYS	676	CB	19	1	1[O], 2[N], 16[C],
GLU	677	CG	3	1	3[C],
GLU	677	CD	1	1	1[C],
GLU	677	N	12	1	1[O], 2[N], 9[C],
GLU	677	CB	5	1	1[O], 4[C],
GLU	677	C	9	1	1[O], 2[N], 6[C],
GLU	677	O	10	1	1[O], 2[N], 7[C],
GLU	677	CA	10	1	1[O], 1[N], 8[C],
LYS	678	CA	7	1	1[O], 5[C], 1[N],
LYS	678	CG	1	1	1[C],
LYS	678	O	7	1	5[C], 2[N],
LYS	678	CB	3	1	3[C],
LYS	678	C	10	1	1[O], 2[N], 7[C],
LYS	678	N	8	1	1[O], 1[N], 6[C],
GLY	679	CA	14	1	1[O], 2[N], 11[C],
GLY	679	N	12	1	1[O], 2[N], 9[C],
GLY	679	O	10	1	1[O], 2[N], 7[C],
GLY	679	C	13	1	1[O], 2[N], 10[C],
PRO	680	CG	13	1	2[N], 11[C],
PRO	680	O	2	1	2[C],
PRO	680	CB	8	1	6[C], 2[N],
PRO	680	C	3	1	3[C],
PRO	680	CD	13	1	1[O], 2[N], 10[C],
PRO	680	CA	8	1	6[C], 2[N],
PRO	680	N	12	1	1[O], 2[N], 9[C],
HIS	715	NE2	2	1	1[O], 1[C],
ALA	721	C	5	1	4[C], 1[N],
ALA	721	O	11	1	2[N], 9[C],
ASN	722	C	8	1	1[O], 7[C],
ASN	722	ND2	3	1	1[O], 2[C],
ASN	722	CB	6	1	2[O], 4[C],
ASN	722	O	10	1	2[O], 8[C],
ASN	722	N	2	1	2[C],
ASN	722	CG	6	1	2[O], 4[C],
ASN	722	OD1	11	1	2[O], 1[N], 8[C],
ASN	722	CA	11	1	2[O], 1[N], 8[C],
LEU	724	CA	16	1	1[O], 2[N], 13[C],
LEU	724	CG	23	1	3[O], 2[N], 18[C],
LEU	724	CD1	23	1	3[O], 2[N], 18[C],
LEU	724	C	9	1	1[O], 1[N], 7[C],
LEU	724	CB	20	1	1[O], 2[N], 17[C],
LEU	724	N	12	1	1[O], 2[N], 9[C],
LEU	724	CD2	23	1	3[O], 2[N], 18[C],
VAL	725	O	7	1	1[O], 1[N], 5[C],
VAL	725	C	3	1	1[O], 2[C],
VAL	725	N	8	1	1[O], 1[N], 6[C],
ASN	726	OD1	1	1	1[O],
LYS	732	CD	3	1	1[O], 2[C],
LYS	732	O	7	1	1[O], 6[C],
LYS	732	CB	3	1	3[C],
ILE	733	CA	1	1	1[O],
ILE	733	O	10	1	2[O], 8[C],
ILE	733	C	10	1	2[O], 8[C],
ALA	734	N	13	1	2[O], 11[C],
ALA	734	CA	15	1	2[O], 13[C],
ALA	734	O	11	1	2[O], 9[C],
ALA	734	C	13	1	2[O], 11[C],
ALA	734	CB	20	1	3[O], 2[N], 15[C],
ASP	735	OD2	7	1	2[O], 5[C],
ASP	735	CB	11	1	2[O], 9[C],
ASP	735	C	8	1	2[O], 6[C],
ASP	735	CG	10	1	2[O], 8[C],
ASP	735	O	5	1	2[O], 3[C],
ASP	735	N	14	1	2[O], 12[C],
ASP	735	OD1	8	1	2[O], 6[C],
ASP	735	CA	11	1	2[O], 9[C],
PHE	736	CA	3	1	2[O], 1[C],
PHE	736	N	7	1	2[O], 5[C],
PHE	736	C	3	1	2[O], 1[C],
PHE	736	CZ	1	1	1[O],
PHE	736	CB	3	1	2[O], 1[C],
PHE	736	CD1	5	1	2[O], 3[C],
PHE	736	CE1	4	1	2[O], 2[C],
PHE	736	O	2	1	2[O],
PHE	736	CD2	1	1	1[O],
PHE	736	CG	3	1	2[O], 1[C],
GLY	737	N	3	1	2[O], 1[C],
GLY	737	CA	3	1	2[O], 1[C],
Total = 209


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