Query sequence : HDAC1_HUMAN: (2017-06-15 ) MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA

Atome Classification :

	(83 SA)										Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
			(Atome)	(Ident)	(Tito)	(Num)		(pKd)	(Uniprot)		GOL_B_15(4A69) HDAC3_HUMAN [Raw transfer] V5X_B_10(2V5X) HDAC8_HUMAN [Raw transfer] NHB_B_10(1W22) HDAC8_HUMAN [Raw transfer] B3N_B_8(5DC5) HDAC8_HUMAN [Raw transfer] NHB_A_6(1W22) HDAC8_HUMAN [Raw transfer] B3N_B_11(3F06) HDAC8_HUMAN [Raw transfer] B3N_A_5(3EW8) HDAC8_HUMAN [Raw transfer] TSN_B_6(1C3R) ? [Raw transfer] B3N_A_6(3MZ4) HDAC8_HUMAN [Raw transfer] XCH_B_10(5BWZ) HDAC8_HUMAN [Raw transfer] TSN_B_12(3F0R) HDAC8_HUMAN [Raw transfer] SHH_B_10(4QA0) HDAC8_HUMAN [Raw transfer] TSN_B_12(4QA3) HDAC8_HUMAN [Raw transfer] TSN_B_10(5D1B) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ6) HDAC8_HUMAN [Raw transfer] SHH_A_3(1T69) HDAC8_HUMAN [Raw transfer] SHH_A_6(4QA2) HDAC8_HUMAN [Raw transfer] B3N_B_10(3MZ3) HDAC8_HUMAN [Raw transfer] SHH_B_10(4QA2) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ7) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZP) HDAC8_HUMAN [Raw transfer] SHH_A_3(1C3S) ? [Raw transfer] 5YA_B_7(5FCW) ? [Raw transfer] B3N_A_6(3F06) HDAC8_HUMAN [Raw transfer] TSN_A_5(1C3R) ? [Raw transfer] B3N_B_11(3EZT) HDAC8_HUMAN [Raw transfer] GOL_C_12(5DC8) HDAC8_HUMAN [Raw transfer] GOL_C_12(5DC8) HDAC8_HUMAN [Raw transfer] GOL_B_11(5D1C) HDAC8_HUMAN [Raw transfer] GOL_A_7(5DC6) HDAC8_HUMAN [Raw transfer] GOL_A_7(5DC7) HDAC8_HUMAN [Raw transfer] AGE_B_12(3F07) HDAC8_HUMAN [Raw transfer] GOL_D_14(4QA6) HDAC8_HUMAN [Raw transfer] GOL_D_12(5DC7) HDAC8_HUMAN [Raw transfer] GOL_D_11(5DC6) HDAC8_HUMAN [Raw transfer] CHAIN_D_4(3RQD) HDAC8_HUMAN [Raw transfer] - 20Y_A_10(4LY1) HDAC2_HUMAN [Raw transfer] I6P_A_4(5ICN) HDAC1_HUMAN [Raw transfer] I0P_C_17(4A69) HDAC3_HUMAN [Raw transfer] CHAIN_D_4(4QA5) HDAC8_HUMAN [Raw transfer] - CHAIN_C_3(4QA5) HDAC8_HUMAN [Raw transfer] - I0P_C_17(4A69) HDAC3_HUMAN [Raw transfer] CHAIN_C_3(4QA5) HDAC8_HUMAN [Raw transfer] - I0P_D_18(4A69) HDAC3_HUMAN [Raw transfer] TSN_B_16(1T64) HDAC8_HUMAN [Raw transfer] PGE_B_26(5IX0) HDAC2_HUMAN [Raw transfer] B3N_A_6(3MZ4) HDAC8_HUMAN [Raw transfer] TSN_B_13(3F0R) HDAC8_HUMAN [Raw transfer] PG4_C_23(4LXZ) HDAC2_HUMAN [Raw transfer] TSN_C_18(3F0R) HDAC8_HUMAN [Raw transfer] PG4_B_18(5IWG) HDAC2_HUMAN [Raw transfer] PG4_C_23(4LY1) HDAC2_HUMAN [Raw transfer] PEG_A_8(5IX0) HDAC2_HUMAN [Raw transfer] V5X_B_10(2V5X) HDAC8_HUMAN [Raw transfer] PG5_A_8(5IWG) HDAC2_HUMAN [Raw transfer] L6G_B_9(4RN0) HDAC8_HUMAN [Raw transfer] L6G_B_9(4RN0) HDAC8_HUMAN [Raw transfer] L7G_B_10(4RN2) HDAC8_HUMAN [Raw transfer] PG4_A_10(5IX0) HDAC2_HUMAN [Raw transfer] PG4_A_8(4LY1) HDAC2_HUMAN [Raw transfer] PG5_B_21(5IX0) HDAC2_HUMAN [Raw transfer] PG4_A_8(4LXZ) HDAC2_HUMAN [Raw transfer] TSN_B_10(5D1B) HDAC8_HUMAN [Raw transfer] L8G_B_12(4RN1) HDAC8_HUMAN [Raw transfer] L8G_B_12(4RN1) HDAC8_HUMAN [Raw transfer] L7G_B_10(4RN2) HDAC8_HUMAN [Raw transfer] B3N_B_8(5DC5) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZP) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZT) HDAC8_HUMAN [Raw transfer] NHB_B_10(1W22) HDAC8_HUMAN [Raw transfer] CHAIN_D_4(4QA6) HDAC8_HUMAN [Raw transfer] - CHAIN_L_5(2V5W) HDAC8_HUMAN [Raw transfer] - CHAIN_B_2(4QA7) HDAC8_HUMAN [Raw transfer] - SHH_B_10(4QA0) HDAC8_HUMAN [Raw transfer] CHAIN_J_6(3EWF) HDAC8_HUMAN [Raw transfer] - CHAIN_D_4(4QA6) HDAC8_HUMAN [Raw transfer] - SHH_B_10(4QA2) HDAC8_HUMAN [Raw transfer] CHAIN_J_6(3EWF) HDAC8_HUMAN [Raw transfer] - CHAIN_L_8(3EWF) HDAC8_HUMAN [Raw transfer] - CHAIN_L_5(2V5W) HDAC8_HUMAN [Raw transfer] - CHAIN_L_8(3EWF) HDAC8_HUMAN [Raw transfer] -
2	PsiBlast_PDB		93.30	100%	-111	- C3 -	5ICN	2.9	HDAC1_HUMAN
6	PsiBlast_PDB		92.09	93%	-111	- C3 -	5IWG	2.0	HDAC2_HUMAN
120	HHSearch		92.05	100%	-110	- C3 -	4BKX	-	HDAC1_HUMAN
1	PsiBlast_PDB		92.05	100%	-110	- C3 -	4BKX	-	HDAC1_HUMAN	-
26	PsiBlast_CBE		92.00	93%	-114	- C3 -	5IX0	2.3	HDAC2_HUMAN
5	PsiBlast_PDB		91.92	93%	-110	- C3 -	5IX0	1.9	HDAC2_HUMAN
3	PsiBlast_PDB		91.85	93%	-112	- C3 -	4LXZ	2.0	HDAC2_HUMAN
27	PsiBlast_CBE		91.77	93%	-116	- C3 -	5IWG	-	HDAC2_HUMAN
124	HHSearch		91.49	94%	-111	- C3 -	4LY1	7.6	HDAC2_HUMAN
25	PsiBlast_CBE		91.49	93%	-117	- C3 -	5IX0	-	HDAC2_HUMAN
4	PsiBlast_PDB		91.28	93%	-111	- C3 -	4LY1	2.0	HDAC2_HUMAN
28	PsiBlast_CBE		91.27	93%	-112	- C3 -	5IWG	1.8	HDAC2_HUMAN
22	PsiBlast_CBE		90.86	93%	-112	- C3 -	4LY1	2.5	HDAC2_HUMAN
7	PsiBlast_PDB		90.75	93%	-111	- C3 -	3MAX	-	HDAC2_HUMAN
24	PsiBlast_CBE		90.69	93%	-110	- C3 -	4LXZ	1.7	HDAC2_HUMAN
30	PsiBlast_CBE		90.42	93%	-114	- C3 -	3MAX	-	HDAC2_HUMAN
23	PsiBlast_CBE		89.95	93%	-111	- C3 -	4LXZ	-	HDAC2_HUMAN
21	PsiBlast_CBE		89.91	93%	-113	- C3 -	4LY1	-	HDAC2_HUMAN
29	PsiBlast_CBE		89.71	93%	-112	- C3 -	3MAX	-	HDAC2_HUMAN
123	HHSearch		79.61	64%	-71	- C3 -	4A69	2.6	HDAC3_HUMAN
31	PsiBlast_CBE		79.32	63%	-71	- C3 -	4A69	2.4	HDAC3_HUMAN
8	PsiBlast_PDB		79.23	63%	-71	- C3 -	4A69	2.6	HDAC3_HUMAN
122	HHSearch		66.33	39%	-70	- C3 -	5DC8	2.2	HDAC8_HUMAN
140	Fugue		65.47	40%	-68	- C3 -	4QA5	4.4	HDAC8_HUMAN
95	PsiBlast_CBE		63.56	42%	-60	- C3 -	4QA6	4.6	HDAC8_HUMAN
86	PsiBlast_CBE		63.54	42%	-63	- C3 -	3MZ4	2.8	HDAC8_HUMAN
76	PsiBlast_CBE		63.43	42%	-56	- C3 -	4QA2	4.1	HDAC8_HUMAN
42	PsiBlast_CBE		63.13	43%	-61	- C3 -	1W22	4.9	HDAC8_HUMAN
32	PsiBlast_CBE		63.12	43%	-57	- C3 -	4QA3	4.6	HDAC8_HUMAN
89	PsiBlast_CBE		63.04	42%	-59	- C3 -	5DC7	2.8	HDAC8_HUMAN
55	PsiBlast_CBE		63.02	42%	-61	- C3 -	4QA7	4.8	HDAC8_HUMAN
75	PsiBlast_CBE		63.00	42%	-59	- C3 -	5D1B	2.4	HDAC8_HUMAN
50	PsiBlast_CBE		62.93	43%	-58	- C3 -	4RN1	3.0	HDAC8_HUMAN
83	PsiBlast_CBE		62.76	42%	-63	- C3 -	5DC6	2.2	HDAC8_HUMAN
77	PsiBlast_CBE		62.72	42%	-61	- C3 -	4QA2	3.8	HDAC8_HUMAN
35	PsiBlast_CBE		62.67	43%	-62	- C3 -	5BWZ	5.1	HDAC8_HUMAN
90	PsiBlast_CBE		62.65	42%	-59	- C3 -	5DC7	2.2	HDAC8_HUMAN
49	PsiBlast_CBE		62.62	43%	-57	- C3 -	4RN1	3.3	HDAC8_HUMAN
88	PsiBlast_CBE		62.61	42%	-59	- C3 -	3EW8	3.4	HDAC8_HUMAN
69	PsiBlast_CBE		62.51	42%	-63	- C3 -	3EZP	2.6	HDAC8_HUMAN
97	PsiBlast_CBE		62.50	42%	-61	- C3 -	4QA0	4.9	HDAC8_HUMAN
87	PsiBlast_CBE		62.50	42%	-61	- C3 -	3MZ4	3.8	HDAC8_HUMAN
96	PsiBlast_CBE		62.42	42%	-59	- C3 -	4QA6	2.0	HDAC8_HUMAN
81	PsiBlast_CBE		62.33	42%	-58	- C3 -	3EWF	1.8	HDAC8_HUMAN
80	PsiBlast_CBE		62.31	42%	-57	- C3 -	3EWF	4.6	HDAC8_HUMAN
70	PsiBlast_CBE		62.31	42%	-62	- C3 -	3F06	3.7	HDAC8_HUMAN
65	PsiBlast_CBE		62.27	42%	-61	- C3 -	3EZT	3.7	HDAC8_HUMAN
54	PsiBlast_CBE		62.26	43%	-58	- C3 -	2V5X	3.0	HDAC8_HUMAN
79	PsiBlast_CBE		62.25	42%	-57	- C3 -	3EWF	1.5	HDAC8_HUMAN
85	PsiBlast_CBE		62.22	42%	-58	- C3 -	3MZ6	3.4	HDAC8_HUMAN
48	PsiBlast_CBE		62.21	43%	-58	- C3 -	4RN2	4.2	HDAC8_HUMAN
37	PsiBlast_CBE		62.20	43%	-60	- C3 -	3F0R	4.5	HDAC8_HUMAN
47	PsiBlast_CBE		62.19	43%	-59	- C3 -	4RN2	3.4	HDAC8_HUMAN
38	PsiBlast_CBE		62.13	43%	-53	- C3 -	3F0R	4.6	HDAC8_HUMAN
74	PsiBlast_CBE		62.11	42%	-59	- C3 -	5D1B	4.6	HDAC8_HUMAN
68	PsiBlast_CBE		62.11	42%	-62	- C3 -	3EZP	3.7	HDAC8_HUMAN
45	PsiBlast_CBE		62.06	43%	-59	- C3 -	1T69	2.8	HDAC8_HUMAN
98	PsiBlast_CBE		62.01	42%	-58	* C3 *	4QA0	3.8	HDAC8_HUMAN
94	PsiBlast_CBE		61.95	42%	-59	- C3 -	5DC8	2.2	HDAC8_HUMAN
64	PsiBlast_CBE		61.95	42%	-60	- C3 -	3EZT	3.8	HDAC8_HUMAN
40	PsiBlast_CBE		61.95	43%	-56	- C3 -	3F07	5.0	HDAC8_HUMAN
51	PsiBlast_CBE		61.88	43%	-59	- C3 -	4RN0	3.6	HDAC8_HUMAN
36	PsiBlast_CBE		61.85	43%	-63	- C3 -	5FCW	4.6	?
91	PsiBlast_CBE		61.82	42%	-58	- C3 -	5D1C	2.2	HDAC8_HUMAN
46	PsiBlast_CBE		61.78	43%	-58	- C3 -	1T64	4.9	HDAC8_HUMAN
82	PsiBlast_CBE		61.76	42%	-61	- C3 -	5DC6	2.9	HDAC8_HUMAN
56	PsiBlast_CBE		61.73	42%	-59	- C3 -	2V5W	6.3	HDAC8_HUMAN
71	PsiBlast_CBE		61.67	42%	-62	- C3 -	3F06	3.7	HDAC8_HUMAN
57	PsiBlast_CBE		61.67	42%	-57	- C3 -	2V5W	2.1	HDAC8_HUMAN
72	PsiBlast_CBE		61.57	42%	-58	- C3 -	4QA5	4.5	HDAC8_HUMAN
33	PsiBlast_CBE		61.57	43%	-61	- C3 -	3RQD	5.1	HDAC8_HUMAN
84	PsiBlast_CBE		61.54	42%	-60	- C3 -	3MZ7	3.2	HDAC8_HUMAN
52	PsiBlast_CBE		61.52	43%	-61	- C3 -	4RN0	3.9	HDAC8_HUMAN
63	PsiBlast_CBE		61.44	42%	-57	- C3 -	5DC5	2.5	HDAC8_HUMAN
78	PsiBlast_CBE		61.35	42%	-57	- C3 -	3EWF	4.5	HDAC8_HUMAN
62	PsiBlast_CBE		61.28	42%	-60	- C3 -	5DC5	4.8	HDAC8_HUMAN
53	PsiBlast_CBE		61.22	43%	-61	- C3 -	2V5X	5.6	HDAC8_HUMAN
41	PsiBlast_CBE		60.03	43%	-59	- C3 -	1W22	4.0	HDAC8_HUMAN
73	PsiBlast_CBE		60.01	42%	-57	- C3 -	4QA5	4.4	HDAC8_HUMAN
34	PsiBlast_CBE		59.72	43%	-60	- C3 -	3MZ3	3.8	HDAC8_HUMAN
114	PsiBlast_CBE		49.52	36%	-5	- C3 -	1C3R	5.6	?
115	PsiBlast_CBE		49.37	36%	-5	- C3 -	1C3R	5.7	?
113	PsiBlast_CBE		48.06	36%	-5	- C3 -	1C3S	4.7	?