Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: IE8_A_4(4BID) / Model_11(4BID/A) = [5.6]	Download	1389.99	21.17	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV
Complex: BH9_A_3(4BHN) / Model_3(4BHN/A) = [5.5]	Download	1499.10	16.59	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV
Complex: IE4_A_3(4BIC) / Model_10(4BIC/A) = [4.3]	Download	965.09	25.53	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV
Complex: IE6_A_4(4BIE) / Model_12(4BIE/A) = [4.2]	Download	816.36	9.17	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV
Complex: IEO_A_3(4BIB) / Model_9(4BIB/A) = [3.7]	Download	1123.66	22.27	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV
Consensus [pKd Mean = 4.66]	-	1158 (s=255)	18 (s=5)	MIKWNELRLQRRTSQTPLEENRSCSSDESFSLASIWTPNREQELHVLEDRISFSVFELEGVYLNPLLVSWSKPRLRSLVADVAATWAKEGPYSAEFDCISSRLFDAISTEQTCQLRSTCLLSVRQWLGSAQHRWDVTCVLIALLTVSILCIVFLAVFGRTQAVCVVFSTMLSVAVVLMYVVAVFVLHHNTYADAASRYFREEVVRAAQKKMEEEEMAEKRDVGSRSGYRHRGAVKTSRDAADNGCRGYTAGDDDTGVDDEYMEDEISIAVRNLRALTEGSTHPVTNAPPYYRLSDRPHSGKCDNGGAGGGFEDDMTLADGNYASLTSRSLQAGDKAKQQFEEDRENRLLLSRGTFEQHQAHMDQQESHRVHERMNAQQALRPTKQATPSSTSGATGAQTRPSTADSGGSGRQEQLTRGGRDGKKIVMQEQQPLQQLADLPENVNVTALLFCRNAGVLSQVASSLWERNFMLLRVSNLQALNKFNRGSERFGVVLIHAPDVAEGSAELETALSWLQVERRPVFFFSRSAMAYPASVPFSARLLVPFSSTSLNALLLAGIGVESEHGCVSSPLLPQQEQERHQQQCPSQPFQVPPYTLGRRLGGGAFGNVFEAEMEHTGARCAVKRMYLKEDSNQDEEQQVNSGVAGACAGGSGTLAAGANSATSPRAAAVEEEVGGATTAVGSQLRDIAQEVEIMSSLQHPNIVRYYYCERDDNCISIFMELCTGGSLRSLIHSGKLVNPPEIKHLLREIISAVSYLHNMRIVHRDLKPDNVLFRQGHIKITDFGTAVHKHGGDLRLIRGTFAYMAPEILVGDPYGRACDVWSIGCIAAEVLSVELPQHALGLPEMCDYYRAMGENSELPIECDVPGVRDFLLACLQRNPNQRSTAAELFYHPILQARDTSIHDWMVEVVARRRRMQQQQQALHRNGLGSRTGGGAGGLGGNHQVSSNGPNNNGGMNCANAGDRFDLHSVGSAQSLDSSKLV

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	690	CG	1	5	1[N],
GLU	690	CD	4	5	1[O], 1[C], 2[N],
GLU	690	OE1	3	5	1[O], 2[N],
GLU	690	OE2	12	5	1[S], 1[O], 7[C], 3[N],
VAL	691	CG2	1	5	1[C],
MET	694	SD	13	5	1[O], 9[C], 3[N],
MET	694	CB	2	5	2[C],
MET	694	CE	26	5	1[O], 21[C], 4[N],
MET	694	CG	2	5	2[C],
VAL	703	CA	31	5	24[C], 7[N],
VAL	703	N	9	5	2[N], 7[C],
VAL	703	CG1	68	5	2[S], 3[O], 52[C], 11[N],
VAL	703	CB	63	5	1[S], 2[O], 48[C], 12[N],
VAL	703	C	16	5	3[N], 13[C],
VAL	703	O	8	5	2[N], 6[C],
VAL	703	CG2	75	5	2[S], 2[O], 57[C], 14[N],
ARG	704	C	8	5	1[O], 2[N], 5[C],
ARG	704	O	17	5	1[O], 3[N], 13[C],
ARG	704	CA	4	5	2[N], 2[C],
ARG	704	N	11	5	3[N], 8[C],
TYR	705	CB	3	5	1[O], 2[C],
TYR	705	CE1	3	5	1[O], 2[C],
TYR	705	CD1	3	5	1[O], 2[C],
TYR	705	C	2	5	1[O], 1[C],
TYR	705	CA	4	5	1[O], 3[C],
TYR	705	CG	3	5	1[O], 2[C],
TYR	705	N	4	5	1[O], 3[C],
TYR	706	CD2	1	5	1[O],
TYR	706	N	2	5	1[O], 1[C],
TYR	706	CZ	1	5	1[N],
TYR	706	CB	1	5	1[O],
TYR	706	CE2	1	5	1[N],
TYR	707	O	3	5	1[O], 2[C],
TYR	707	C	1	5	1[C],
TYR	707	N	1	5	1[C],
SER	716	O	2	5	1[O], 1[C],
SER	716	OG	2	5	1[O], 1[C],
SER	716	CA	2	5	1[O], 1[C],
SER	716	C	3	5	1[O], 2[C],
ILE	717	C	7	5	1[O], 5[C], 1[N],
ILE	717	N	5	5	1[O], 4[C],
ILE	717	CG2	10	5	1[O], 6[C], 3[N],
ILE	717	O	19	5	1[O], 14[C], 4[N],
ILE	717	CA	6	5	1[O], 5[C],
ILE	717	CG1	5	5	1[O], 4[C],
ILE	717	CD1	8	5	1[O], 4[C], 3[N],
ILE	717	CB	10	5	1[O], 6[C], 3[N],
PHE	718	CD1	2	5	1[O], 1[C],
PHE	718	CA	6	5	1[O], 5[C],
PHE	718	N	5	5	1[O], 4[C],
PHE	718	CB	4	5	1[O], 3[C],
PHE	718	CG	3	5	1[O], 2[C],
PHE	718	CD2	2	5	1[O], 1[C],
PHE	718	O	8	5	1[O], 1[N], 6[C],
PHE	718	CE2	1	5	1[O],
PHE	718	C	11	5	1[O], 2[N], 8[C],
MET	719	CE	76	5	4[S], 7[O], 52[C], 13[N],
MET	719	N	29	5	1[O], 5[N], 23[C],
MET	719	CG	52	5	1[S], 1[O], 40[C], 10[N],
MET	719	CB	58	5	1[S], 2[O], 43[C], 12[N],
MET	719	C	41	5	2[O], 7[N], 32[C],
MET	719	O	41	5	2[O], 7[N], 32[C],
MET	719	CA	40	5	2[O], 7[N], 31[C],
MET	719	SD	68	5	4[S], 4[O], 47[C], 13[N],
GLU	720	CG	30	5	1[O], 7[N], 22[C],
GLU	720	N	36	5	2[O], 7[N], 27[C],
GLU	720	C	55	5	2[O], 11[N], 42[C],
GLU	720	CA	33	5	2[O], 8[N], 23[C],
GLU	720	OE2	11	5	4[N], 7[C],
GLU	720	CB	19	5	1[O], 7[N], 11[C],
GLU	720	CD	18	5	1[O], 7[N], 10[C],
GLU	720	O	69	5	1[S], 2[O], 53[C], 13[N],
GLU	720	OE1	10	5	1[O], 5[N], 4[C],
LEU	721	CG	54	5	3[O], 11[N], 40[C],
LEU	721	O	44	5	1[O], 32[C], 11[N],
LEU	721	CA	60	5	3[O], 11[N], 46[C],
LEU	721	CD2	68	5	3[O], 11[N], 54[C],
LEU	721	N	49	5	2[O], 11[N], 36[C],
LEU	721	CB	54	5	2[O], 11[N], 41[C],
LEU	721	C	56	5	2[O], 11[N], 43[C],
LEU	721	CD1	40	5	1[O], 28[C], 11[N],
CYS	722	C	55	5	2[O], 11[N], 42[C],
CYS	722	SG	57	5	2[O], 11[N], 44[C],
CYS	722	CB	63	5	2[O], 11[N], 50[C],
CYS	722	O	60	5	2[O], 11[N], 47[C],
CYS	722	N	62	5	2[O], 11[N], 49[C],
CYS	722	CA	59	5	2[O], 11[N], 46[C],
THR	723	N	40	5	2[O], 29[C], 9[N],
THR	723	CB	18	5	1[O], 4[N], 13[C],
THR	723	CG2	14	5	2[N], 12[C],
THR	723	C	29	5	2[O], 7[N], 20[C],
THR	723	O	22	5	2[O], 4[N], 16[C],
THR	723	OG1	14	5	1[O], 10[C], 3[N],
THR	723	CA	31	5	2[O], 7[N], 22[C],
GLY	724	CA	29	5	2[O], 6[N], 21[C],
GLY	724	N	35	5	2[O], 25[C], 8[N],
GLY	724	O	35	5	2[O], 6[N], 27[C],
GLY	724	C	38	5	2[O], 28[C], 8[N],
GLY	725	O	41	5	2[O], 9[N], 30[C],
GLY	725	N	46	5	2[O], 8[N], 36[C],
GLY	725	C	54	5	2[O], 9[N], 43[C],
GLY	725	CA	56	5	2[O], 9[N], 45[C],
SER	726	O	7	5	1[O], 1[N], 5[C],
SER	726	OG	34	5	2[O], 4[N], 28[C],
SER	726	N	60	5	1[S], 3[O], 9[N], 47[C],
SER	726	C	14	5	1[O], 1[N], 12[C],
SER	726	CB	54	5	2[S], 3[O], 9[N], 40[C],
SER	726	CA	47	5	1[S], 2[O], 7[N], 37[C],
LEU	727	N	4	5	1[N], 3[C],
SER	729	CB	9	5	1[O], 1[N], 7[C],
SER	729	N	1	5	1[C],
SER	729	OG	13	5	1[O], 1[N], 11[C],
LEU	730	CD1	2	5	2[C],
LEU	730	CG	3	5	3[C],
LEU	730	CD2	5	5	5[C],
HIS	763	NE2	3	5	1[C], 2[N],
HIS	763	CE1	3	5	1[C], 2[N],
ASP	765	O	5	5	2[N], 3[C],
ASP	765	C	1	5	1[N],
ASP	765	CA	1	5	1[N],
ASP	765	OD1	3	5	1[C], 2[N],
ASP	765	CB	4	5	2[C], 2[N],
ASP	765	OD2	6	5	2[N], 4[C],
ASP	765	CG	4	5	2[C], 2[N],
LYS	767	CG	5	5	2[N], 3[C],
LYS	767	CD	5	5	2[N], 3[C],
LYS	767	O	3	5	1[N], 2[C],
LYS	767	NZ	10	5	4[N], 6[C],
LYS	767	CE	13	5	5[N], 8[C],
PRO	768	C	10	5	2[N], 8[C],
PRO	768	O	12	5	3[N], 9[C],
ASP	769	CA	25	5	1[O], 6[N], 18[C],
ASP	769	OD1	18	5	6[N], 12[C],
ASP	769	CG	21	5	6[N], 15[C],
ASP	769	N	17	5	5[N], 12[C],
ASP	769	OD2	20	5	6[N], 14[C],
ASP	769	O	71	5	4[S], 6[O], 51[C], 10[N],
ASP	769	CB	25	5	1[S], 1[O], 6[N], 17[C],
ASP	769	C	43	5	4[S], 5[O], 7[N], 27[C],
ASN	770	OD1	56	5	4[S], 6[O], 36[C], 10[N],
ASN	770	O	35	5	1[O], 26[C], 8[N],
ASN	770	CA	48	5	4[S], 5[O], 31[C], 8[N],
ASN	770	CG	43	5	3[S], 6[O], 25[C], 9[N],
ASN	770	N	31	5	2[S], 2[O], 7[N], 20[C],
ASN	770	CB	34	5	2[S], 3[O], 21[C], 8[N],
ASN	770	ND2	27	5	2[S], 3[O], 6[N], 16[C],
ASN	770	C	36	5	2[S], 2[O], 24[C], 8[N],
VAL	771	C	11	5	2[N], 9[C],
VAL	771	N	19	5	1[O], 5[N], 13[C],
VAL	771	O	13	5	2[N], 11[C],
VAL	771	CB	1	5	1[C],
VAL	771	CA	7	5	1[N], 6[C],
LEU	772	C	30	5	1[O], 21[C], 8[N],
LEU	772	CD1	105	5	4[S], 7[O], 75[C], 19[N],
LEU	772	CD2	104	5	4[S], 6[O], 74[C], 20[N],
LEU	772	CG	101	5	4[S], 4[O], 73[C], 20[N],
LEU	772	CA	64	5	2[O], 13[N], 49[C],
LEU	772	CB	82	5	2[S], 3[O], 13[N], 64[C],
LEU	772	N	49	5	8[N], 41[C],
PHE	773	C	7	5	3[N], 4[C],
PHE	773	O	22	5	2[O], 4[N], 16[C],
PHE	773	N	20	5	1[O], 6[N], 13[C],
ARG	774	CA	1	5	1[C],
ARG	774	CZ	2	5	1[O], 1[N],
ARG	774	C	1	5	1[C],
LYS	779	CB	10	5	4[N], 6[C],
LYS	779	O	18	5	4[N], 14[C],
LYS	779	CD	5	5	3[N], 2[C],
ILE	780	O	19	5	16[C], 3[N],
ILE	780	C	22	5	18[C], 4[N],
THR	781	CB	102	5	4[S], 6[O], 74[C], 18[N],
THR	781	N	58	5	3[S], 2[O], 42[C], 11[N],
THR	781	C	73	5	4[S], 6[O], 52[C], 11[N],
THR	781	CG2	104	5	4[S], 7[O], 74[C], 19[N],
THR	781	CA	82	5	4[S], 4[O], 59[C], 15[N],
THR	781	OG1	99	5	4[S], 6[O], 71[C], 18[N],
THR	781	O	44	5	3[S], 3[O], 29[C], 9[N],
ASP	782	OD2	61	5	4[S], 6[O], 41[C], 10[N],
ASP	782	N	77	5	4[S], 7[O], 54[C], 12[N],
ASP	782	CB	63	5	4[S], 6[O], 43[C], 10[N],
ASP	782	OD1	59	5	3[S], 6[O], 40[C], 10[N],
ASP	782	CG	61	5	4[S], 6[O], 41[C], 10[N],
ASP	782	C	39	5	2[S], 3[O], 25[C], 9[N],
ASP	782	O	30	5	2[S], 3[O], 16[C], 9[N],
ASP	782	CA	62	5	4[S], 6[O], 43[C], 9[N],
PHE	783	CD2	7	5	4[C], 3[N],
PHE	783	CG	1	5	1[N],
PHE	783	CD1	4	5	3[C], 1[N],
PHE	783	N	36	5	2[S], 3[O], 22[C], 9[N],
PHE	783	CA	7	5	4[C], 3[N],
PHE	783	CE2	5	5	3[C], 2[N],
PHE	783	C	4	5	2[C], 2[N],
PHE	783	CB	3	5	1[C], 2[N],
GLY	784	C	1	5	1[N],
GLY	784	N	12	5	2[O], 6[C], 4[N],
GLY	784	CA	5	5	2[O], 1[C], 2[N],
THR	785	OG1	2	5	2[N],
THR	785	CA	1	5	1[N],
THR	785	N	1	5	1[N],
THR	785	CB	3	5	1[C], 2[N],
THR	785	CG2	8	5	1[O], 2[N], 5[C],
THR	800	OG1	2	5	1[N], 1[C],
Total = 202


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