Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_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 C3_S1
Complex: D50_A_3(3Q44) / Model_53(3Q44/A) = [7.7]	Download	1233.56	1.88	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI
Complex: BTJ_A_6(3T8V) / Model_64(3T8V/A) = [6.7]	Download	1722.72	11.43	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI
Complex: D66_A_11(3Q43) / Model_54(3Q43/A) = [6.7]	Download	775.40	11.08	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI
Complex: R5T_A_13(4R5T) / Model_58(4R5T/A) = [6.6]	Download	797.84	8.88	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI
Complex: 4SY_A_2(4ZW6) / Model_46(4ZW6/A) = [6.4]	Download	862.76	12.22	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI
Consensus [pKd Mean = 6.82]	-	1078 (s=362)	9 (s=3)	MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGDLVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADKKYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLLERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLN	112	C	1	34	1[O],
GLN	112	O	5	34	1[F], 1[C], 2[N], 1[O],
LEU	113	CG	1	34	1[O],
LEU	113	CB	2	34	1[N], 1[O],
LEU	113	CD1	1	34	1[O],
LEU	113	C	6	34	1[F], 2[C], 2[N], 1[O],
LEU	113	CA	2	34	1[O], 1[N],
LEU	113	O	11	34	1[O], 2[N], 6[C], 2[F],
LEU	113	N	1	34	1[O],
GLU	114	CA	9	34	2[N], 1[O], 3[F], 3[C],
GLU	114	C	2	34	1[N], 1[O],
GLU	114	N	6	34	1[F], 2[C], 2[N], 1[O],
GLU	114	CD	26	34	3[F], 16[C], 1[O], 6[N],
GLU	114	CG	19	34	4[N], 1[O], 11[C], 3[F],
GLU	114	CB	16	34	3[F], 9[C], 1[O], 3[N],
GLU	114	OE1	26	34	17[C], 3[F], 1[O], 5[N],
GLU	114	OE2	47	34	4[F], 31[C], 2[O], 10[N],
GLY	115	N	1	34	1[N],
TYR	117	CE1	1	34	1[O],
TYR	117	CZ	1	34	1[O],
GLN	126	CB	26	34	1[F], 20[C], 1[O], 4[N],
GLN	126	CG	102	34	13[N], 1[O], 84[C], 3[F], 1[B],
GLN	126	CD	150	34	1[B], 130[C], 3[F], 14[N], 1[O],
GLN	126	CA	4	34	1[F], 1[C], 1[O], 1[N],
GLN	126	C	5	34	1[F], 3[C], 1[N],
GLN	126	NE2	227	34	3[F], 194[C], 23[N], 5[O], 1[B],
GLN	126	OE1	102	34	7[N], 1[O], 93[C], 1[F],
GLN	126	O	7	34	1[F], 3[C], 2[N], 1[O],
ASN	127	CA	1	34	1[N],
ASN	127	C	1	34	1[N],
ASN	127	N	1	34	1[N],
ASN	127	O	1	34	1[N],
GLU	128	CD	264	34	207[C], 5[P], 18[O], 32[N], 2[B],
GLU	128	OE1	338	34	59[O], 40[N], 7[P], 230[C], 1[B],
GLU	128	CG	234	34	38[N], 4[O], 189[C], 1[F], 1[B],
GLU	128	OE2	231	34	27[O], 29[N], 3[P], 170[C], 2[B],
GLU	128	CA	143	34	1[B], 3[F], 123[C], 2[O], 13[N],
GLU	128	O	214	34	25[N], 4[O], 178[C], 4[F], 1[B], 1[S],
GLU	128	N	59	34	1[B], 7[N], 51[C],
GLU	128	CB	237	34	3[O], 38[N], 193[C], 1[F], 1[B],
GLU	128	C	188	34	23[N], 3[O], 155[C], 4[F], 1[B], 1[S],
PRO	129	CB	62	34	11[N], 3[O], 3[F], 42[C], 1[B], 1[S],
PRO	129	CA	65	34	12[N], 2[O], 3[F], 46[C], 1[B],
PRO	129	CD	175	34	1[S], 142[C], 4[F], 3[O], 23[N],
PRO	129	C	6	34	1[N], 4[C], 1[F],
PRO	129	N	149	34	1[S], 1[B], 4[F], 121[C], 3[O], 18[N],
PRO	129	CG	129	34	1[S], 1[B], 3[F], 102[C], 3[O], 18[N],
GLU	130	N	11	34	1[N], 3[F], 7[C],
GLY	131	N	1	34	1[N],
GLY	131	CA	1	34	1[N],
LYS	134	NZ	2	34	1[F], 1[N],
TYR	191	CE2	3	34	3[N],
TYR	191	CE1	9	34	9[N],
PHE	264	CZ	33	34	2[N], 31[C],
PHE	264	C	1	34	1[O],
PHE	264	CD2	12	34	2[N], 2[O], 8[C],
PHE	264	CE1	12	34	10[C], 2[N],
PHE	264	CD1	5	34	3[C], 2[N],
PHE	264	CG	5	34	3[C], 2[N],
PHE	264	CE2	48	34	3[N], 6[O], 39[C],
ASN	265	ND2	31	34	22[C], 3[F], 1[O], 5[N],
ASN	265	N	5	34	2[N], 1[O], 1[C], 1[F],
ASN	265	CG	19	34	1[O], 3[N], 14[C], 1[F],
ASN	265	O	14	34	10[C], 1[O], 3[N],
ASN	265	OD1	4	34	1[O], 1[N], 1[F], 1[C],
ASN	265	CB	40	34	1[F], 30[C], 1[O], 8[N],
ASN	265	C	21	34	5[N], 1[O], 14[C], 1[F],
ASN	265	CA	12	34	1[O], 3[N], 7[C], 1[F],
MET	266	CE	331	34	254[C], 3[P], 43[O], 31[N],
MET	266	N	53	34	34[C], 7[N], 12[O],
MET	266	CG	364	34	1[S], 1[B], 284[C], 1[F], 1[P], 36[N], 39[O],
MET	266	CB	357	34	41[O], 32[N], 3[P], 281[C],
MET	266	O	56	34	29[O], 3[N], 22[C], 2[P],
MET	266	C	118	34	32[O], 15[N], 71[C],
MET	266	CA	168	34	28[O], 16[N], 124[C],
MET	266	SD	302	34	1[S], 3[P], 230[C], 36[O], 31[N],
GLY	267	CA	156	34	100[C], 19[N], 37[O],
GLY	267	C	137	34	84[C], 17[N], 36[O],
GLY	267	N	214	34	38[O], 22[N], 154[C],
GLY	267	O	50	34	23[O], 5[N], 22[C],
ALA	268	CA	228	34	58[O], 30[N], 132[C], 8[P],
ALA	268	O	436	34	100[O], 55[N], 8[P], 273[C],
ALA	268	C	323	34	8[P], 186[C], 52[N], 77[O],
ALA	268	CB	117	34	45[O], 22[N], 50[C],
ALA	268	N	290	34	60[O], 33[N], 189[C], 8[P],
MET	269	CA	238	34	146[C], 8[P], 46[N], 38[O],
MET	269	SD	283	34	200[C], 8[P], 39[N], 36[O],
MET	269	O	16	34	12[O], 4[N],
MET	269	C	123	34	32[O], 32[N], 8[P], 51[C],
MET	269	CE	149	34	111[C], 11[O], 27[N],
MET	269	CB	178	34	27[O], 34[N], 110[C], 7[P],
MET	269	N	238	34	137[C], 8[P], 41[N], 52[O],
MET	269	CG	140	34	31[N], 4[O], 105[C],
GLU	270	C	1	34	1[O],
GLU	270	CD	172	34	59[O], 34[N], 8[P], 71[C],
GLU	270	N	131	34	33[O], 34[N], 56[C], 8[P],
GLU	270	CB	78	34	32[N], 30[O], 16[C],
GLU	270	OE2	164	34	57[O], 33[N], 8[P], 66[C],
GLU	270	OE1	260	34	69[O], 39[N], 144[C], 8[P],
GLU	270	CG	83	34	25[C], 29[N], 29[O],
GLU	270	O	3	34	2[O], 1[C],
GLU	270	CA	51	34	20[N], 28[O], 3[C],
CYS	281	SG	17	34	10[C], 7[O],
ARG	296	NE	27	34	24[C], 2[O], 1[N],
ARG	296	CZ	82	34	62[C], 2[N], 18[O],
ARG	296	CD	8	34	7[C], 1[N],
ARG	296	O	1	34	1[C],
SER	299	CA	5	34	5[C],
SER	299	CB	8	34	8[C],
SER	299	O	23	34	23[C],
SER	299	C	20	34	20[C],
SER	299	OG	6	34	6[C],
VAL	300	N	25	34	25[C],
VAL	300	CB	57	34	6[O], 51[C],
VAL	300	O	22	34	22[C],
VAL	300	CG1	97	34	70[C], 4[N], 23[O],
VAL	300	C	15	34	15[C],
VAL	300	CG2	106	34	22[O], 2[N], 82[C],
VAL	300	CA	51	34	3[O], 48[C],
HIS	303	ND1	201	34	6[P], 103[C], 20[N], 72[O],
HIS	303	CD2	279	34	8[P], 146[C], 38[N], 87[O],
HIS	303	NE2	295	34	85[O], 50[N], 8[P], 152[C],
HIS	303	CE1	237	34	77[O], 23[N], 8[P], 129[C],
HIS	303	CA	18	34	18[C],
HIS	303	CB	93	34	54[C], 4[N], 35[O],
HIS	303	O	26	34	26[O],
HIS	303	CG	212	34	73[O], 19[N], 112[C], 8[P],
HIS	303	N	7	34	7[C],
HIS	303	C	35	34	27[O], 8[C],
GLU	304	OE2	347	34	97[O], 51[N], 8[P], 191[C],
GLU	304	CG	85	34	35[O], 16[N], 4[P], 30[C],
GLU	304	CB	37	34	1[C], 6[N], 30[O],
GLU	304	CD	279	34	92[O], 46[N], 133[C], 8[P],
GLU	304	CA	38	34	7[N], 31[O],
GLU	304	N	37	34	29[O], 8[C],
GLU	304	OE1	247	34	116[C], 8[P], 46[N], 77[O],
HIS	307	CE1	148	34	8[P], 44[C], 34[N], 62[O],
HIS	307	NE2	174	34	8[P], 59[C], 37[N], 70[O],
HIS	307	ND1	68	34	16[N], 48[O], 4[C],
HIS	307	CB	24	34	24[O],
HIS	307	CD2	164	34	55[C], 8[P], 35[N], 66[O],
HIS	307	CG	91	34	11[C], 2[P], 29[N], 49[O],
LEU	322	CD1	4	34	4[N],
LYS	325	NZ	159	34	73[C], 8[P], 22[N], 56[O],
LYS	325	CD	16	34	16[N],
LYS	325	CE	22	34	22[N],
GLU	326	CD	239	34	71[O], 44[N], 8[P], 116[C],
GLU	326	CG	104	34	20[N], 40[O], 8[P], 36[C],
GLU	326	OE1	255	34	78[O], 45[N], 124[C], 8[P],
GLU	326	CA	26	34	26[O],
GLU	326	OE2	267	34	72[O], 40[N], 147[C], 8[P],
GLU	326	CB	32	34	1[N], 31[O],
THR	329	CG2	4	34	4[O],
VAL	330	CG2	28	34	26[C], 2[O],
VAL	330	CB	10	34	10[C],
VAL	330	CG1	6	34	6[C],
VAL	330	CA	1	34	1[C],
ASP	333	OD2	16	34	15[C], 1[N],
ASP	333	CG	10	34	10[C],
ASP	333	CB	5	34	5[C],
ASP	333	OD1	7	34	7[C],
GLU	377	OE1	1	34	1[C],
GLU	377	C	2	34	2[C],
GLU	377	CB	1	34	1[C],
ILE	378	CG2	24	34	19[C], 2[F], 1[O], 2[N],
ILE	378	O	46	34	1[S], 9[N], 1[F], 35[C],
ILE	378	CA	8	34	7[C], 1[F],
ILE	378	CB	9	34	1[O], 1[F], 7[C],
ILE	378	N	6	34	6[C],
ILE	378	C	34	34	1[S], 27[C], 1[F], 5[N],
ILE	378	CD1	11	34	1[O], 8[C], 2[F],
ILE	378	CG1	14	34	1[N], 2[F], 11[C],
ASN	379	C	53	34	1[S], 8[N], 2[O], 2[F], 39[C],
ASN	379	N	44	34	1[S], 34[C], 3[F], 6[N],
ASN	379	CG	79	34	11[N], 2[O], 4[F], 59[C], 1[B], 1[S],
ASN	379	O	73	34	17[N], 2[O], 2[F], 49[C], 1[B], 1[S],
ASN	379	CA	73	34	1[S], 1[B], 50[C], 3[F], 2[O], 15[N],
ASN	379	CB	62	34	8[N], 2[O], 46[C], 3[F], 1[B], 1[S],
ASN	379	OD1	116	34	1[S], 1[B], 89[C], 4[F], 2[O], 18[N],
ASN	379	ND2	48	34	4[N], 2[O], 37[C], 3[F], 1[S],
ASN	380	C	6	34	2[N], 1[O], 3[C],
ASN	380	CA	8	34	2[N], 1[O], 5[C],
ASN	380	CB	3	34	1[C], 1[O], 1[N],
ASN	380	OD1	9	34	6[C], 1[O], 2[N],
ASN	380	N	24	34	1[S], 5[N], 1[O], 16[C], 1[F],
ASN	380	O	3	34	1[O], 2[C],
ASN	380	CG	3	34	1[N], 1[O], 1[C],
PHE	381	N	8	34	2[N], 1[O], 5[C],
PHE	381	C	1	34	1[C],
TYR	382	CG	249	34	1[F], 215[C], 25[N], 5[O], 1[S], 1[B],
TYR	382	CB	214	34	1[S], 1[F], 178[C], 25[N], 7[O],
TYR	382	C	37	34	6[N], 3[O], 28[C],
TYR	382	O	65	34	7[N], 4[O], 54[C],
TYR	382	CD1	251	34	1[S], 29[N], 16[O], 4[P], 1[F], 198[C],
TYR	382	CE2	303	34	1[F], 233[C], 26[O], 40[N], 1[S], 2[B],
TYR	382	CA	82	34	1[S], 3[O], 11[N], 67[C],
TYR	382	CD2	322	34	1[F], 246[C], 2[P], 29[O], 41[N], 1[S], 2[B],
TYR	382	CZ	244	34	1[S], 1[B], 194[C], 1[F], 42[N], 4[O],
TYR	382	CE1	230	34	2[P], 1[F], 185[C], 26[N], 13[O], 1[S],
TYR	382	N	37	34	24[C], 2[O], 10[N], 1[S],
THR	383	CA	7	34	1[O], 1[N], 5[C],
THR	383	O	1	34	1[C],
THR	383	CG2	3	34	2[C], 1[N],
THR	383	C	2	34	1[C], 1[N],
THR	383	N	8	34	6[C], 1[O], 1[N],
THR	383	CB	3	34	2[C], 1[N],
ALA	384	N	1	34	1[N],
TYR	387	CD2	126	34	44[O], 7[N], 73[C], 2[P],
TYR	387	CE2	278	34	7[P], 180[C], 65[O], 26[N],
TYR	387	CZ	385	34	8[P], 241[C], 54[N], 82[O],
TYR	387	CG	68	34	38[O], 7[N], 23[C],
TYR	387	CD1	128	34	9[N], 40[O], 73[C], 6[P],
TYR	387	CE1	281	34	176[C], 8[P], 31[N], 66[O],
TYR	387	CB	17	34	1[O], 16[C],
GLU	388	CD	3	34	2[O], 1[C],
GLU	388	OE2	3	34	2[O], 1[C],
GLU	388	OE1	3	34	2[O], 1[C],
ILE	819	CG1	65	34	1[S], 4[F], 45[C], 3[O], 12[N],
ILE	819	CD1	100	34	19[N], 4[O], 70[C], 4[F], 1[B], 1[S],
ILE	819	CA	12	34	9[C], 1[O], 2[N],
ILE	819	CB	34	34	1[S], 3[F], 22[C], 6[N], 2[O],
ILE	819	CG2	74	34	1[S], 3[F], 51[C], 13[N], 6[O],
ILE	819	O	8	34	1[N], 2[O], 5[C],
ILE	819	N	1	34	1[C],
ILE	819	C	4	34	1[O], 3[C],
LEU	820	N	2	34	2[C],
SER	822	OG	1	34	1[O],
SER	822	O	2	34	2[C],
SER	822	C	2	34	2[C],
SER	822	CB	4	34	1[O], 3[C],
SER	822	CA	1	34	1[C],
ARG	823	C	1	34	1[C],
ARG	823	CA	5	34	3[C], 1[N], 1[O],
ARG	823	CG	13	34	2[N], 2[O], 9[C],
ARG	823	CD	14	34	11[C], 1[N], 2[O],
ARG	823	CB	6	34	4[C], 1[O], 1[N],
ARG	823	CZ	21	34	19[C], 2[O],
ARG	823	O	1	34	1[C],
ARG	823	N	3	34	1[O], 2[C],
ARG	823	NE	10	34	9[C], 1[O],
ASN	857	CG	4	34	1[N], 3[C],
ASN	857	CB	2	34	2[C],
ASN	857	OD1	5	34	1[N], 4[C],
ASN	857	ND2	4	34	3[C], 1[N],
Total = 244


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