Query sequence : S7W8W1_TOXGG: (2017-06-15 ) MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSTFDSRVPPEAVGADALSSTDARGRTPPKSLGVDLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG

Atome Classification :

	(5 SA)										Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
			(Atome)	(Ident)	(Tito)	(Num)		(pKd)	(Uniprot)		SHH_B_10(4QA2) HDAC8_HUMAN [Raw transfer] NHB_B_10(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_4(5DC5) HDAC8_HUMAN [Raw transfer] SHH_B_10(4QA0) HDAC8_HUMAN [Raw transfer] TSN_A_10(5G0G) ? [Raw transfer] B3N_B_10(3MZ3) HDAC8_HUMAN [Raw transfer] TSN_B_15(1T64) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZP) HDAC8_HUMAN [Raw transfer] TSN_B_10(5D1B) HDAC8_HUMAN [Raw transfer] V5X_B_10(2V5X) HDAC8_HUMAN [Raw transfer] TSN_A_6(5D1B) HDAC8_HUMAN [Raw transfer] TSN_B_3(5EDU) HDAC6_HUMAN [Raw transfer] B3N_B_11(3F06) HDAC8_HUMAN [Raw transfer] TSN_B_12(3F0R) HDAC8_HUMAN [Raw transfer] SHH_A_6(5EEI) ? [Raw transfer] SHH_A_6(4QA0) HDAC8_HUMAN [Raw transfer] TSN_B_12(4QA3) HDAC8_HUMAN [Raw transfer] TSN_C_17(3F0R) HDAC8_HUMAN [Raw transfer] NHB_A_6(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ4) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ6) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ7) HDAC8_HUMAN [Raw transfer] XCH_A_6(5BWZ) HDAC8_HUMAN [Raw transfer] AGE_A_8(3F07) HDAC8_HUMAN [Raw transfer] XCH_B_10(5BWZ) HDAC8_HUMAN [Raw transfer] J38_A_8(4BZ8) ? [Raw transfer] J38_D_20(4BZ8) ? [Raw transfer] SHH_C_24(4LXZ) HDAC2_HUMAN [Raw transfer] SHH_A_10(4LXZ) HDAC2_HUMAN [Raw transfer] B3N_B_11(3EZT) HDAC8_HUMAN [Raw transfer] SHH_B_18(4LXZ) HDAC2_HUMAN [Raw transfer] 5YA_A_3(5FCW) ? [Raw transfer] B3N_A_5(1T67) HDAC8_HUMAN [Raw transfer] UV4_A_8(5FUE) ? [Raw transfer] B3N_A_2(4QA4) HDAC8_HUMAN [Raw transfer] B3N_A_8(4QA1) HDAC8_HUMAN [Raw transfer] UV4_B_14(5FUE) ? [Raw transfer] TSN_A_8(3F0R) HDAC8_HUMAN [Raw transfer] TSN_A_13(1T64) HDAC8_HUMAN [Raw transfer] B3N_A_5(3EW8) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ3) HDAC8_HUMAN [Raw transfer] B3N_B_13(4QA1) HDAC8_HUMAN [Raw transfer] B3N_D_24(4QA1) HDAC8_HUMAN [Raw transfer] KMY_B_14(4BZ9) ? [Raw transfer] KMY_A_8(4BZ9) ? [Raw transfer] SHH_A_17(1ZZ1) HDAH_ALCSD [Raw transfer] SHH_A_3(1T69) HDAC8_HUMAN [Raw transfer] B3N_C_19(4QA1) HDAC8_HUMAN [Raw transfer] B3N_A_8(4BZ7) ? [Raw transfer] TSN_A_3(4QA3) HDAC8_HUMAN [Raw transfer] SHH_C_22(4BZ6) ? [Raw transfer] L8G_B_12(4RN1) HDAC8_HUMAN [Raw transfer] L7G_B_10(4RN2) HDAC8_HUMAN [Raw transfer] L6G_A_3(4RN0) HDAC8_HUMAN [Raw transfer] L8G_A_6(4RN1) HDAC8_HUMAN [Raw transfer]
161	HHSearch		79.26	35%	-39	- C2 -	4BZ7	5.4	?
174	HHSearch		66.29	24%	-18	- C2 -	5EDU	5.9	HDAC6_HUMAN (first)
168	HHSearch		65.86	22%	-8	- C2 -	5G0G	5.7	?
169	HHSearch		65.58	24%	-44	- C2 -	1ZZ1	5.3	HDAH_ALCSD
167	HHSearch		64.34	24%	-1	- C2 -	5EEI	5.8	?

Add PDB User Result:

	(5 SA)										Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
			(Atome)	(Ident)	(Tito)	(Num)		(pKd)	(Uniprot)		SHH_B_10(4QA2) HDAC8_HUMAN [Raw transfer] NHB_B_10(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_4(5DC5) HDAC8_HUMAN [Raw transfer] SHH_B_10(4QA0) HDAC8_HUMAN [Raw transfer] TSN_A_10(5G0G) ? [Raw transfer] B3N_B_10(3MZ3) HDAC8_HUMAN [Raw transfer] TSN_B_15(1T64) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZP) HDAC8_HUMAN [Raw transfer] TSN_B_10(5D1B) HDAC8_HUMAN [Raw transfer] V5X_B_10(2V5X) HDAC8_HUMAN [Raw transfer] TSN_A_6(5D1B) HDAC8_HUMAN [Raw transfer] TSN_B_3(5EDU) HDAC6_HUMAN [Raw transfer] B3N_B_11(3F06) HDAC8_HUMAN [Raw transfer] TSN_B_12(3F0R) HDAC8_HUMAN [Raw transfer] SHH_A_6(5EEI) ? [Raw transfer] SHH_A_6(4QA0) HDAC8_HUMAN [Raw transfer] TSN_B_12(4QA3) HDAC8_HUMAN [Raw transfer] TSN_C_17(3F0R) HDAC8_HUMAN [Raw transfer] NHB_A_6(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ4) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ6) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ7) HDAC8_HUMAN [Raw transfer] XCH_A_6(5BWZ) HDAC8_HUMAN [Raw transfer] AGE_A_8(3F07) HDAC8_HUMAN [Raw transfer] XCH_B_10(5BWZ) HDAC8_HUMAN [Raw transfer] J38_A_8(4BZ8) ? [Raw transfer] J38_D_20(4BZ8) ? [Raw transfer] SHH_C_24(4LXZ) HDAC2_HUMAN [Raw transfer] SHH_A_10(4LXZ) HDAC2_HUMAN [Raw transfer] B3N_B_11(3EZT) HDAC8_HUMAN [Raw transfer] SHH_B_18(4LXZ) HDAC2_HUMAN [Raw transfer] 5YA_A_3(5FCW) ? [Raw transfer] B3N_A_5(1T67) HDAC8_HUMAN [Raw transfer] UV4_A_8(5FUE) ? [Raw transfer] B3N_A_2(4QA4) HDAC8_HUMAN [Raw transfer] B3N_A_8(4QA1) HDAC8_HUMAN [Raw transfer] UV4_B_14(5FUE) ? [Raw transfer] TSN_A_8(3F0R) HDAC8_HUMAN [Raw transfer] TSN_A_13(1T64) HDAC8_HUMAN [Raw transfer] B3N_A_5(3EW8) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ3) HDAC8_HUMAN [Raw transfer] B3N_B_13(4QA1) HDAC8_HUMAN [Raw transfer] B3N_D_24(4QA1) HDAC8_HUMAN [Raw transfer] KMY_B_14(4BZ9) ? [Raw transfer] KMY_A_8(4BZ9) ? [Raw transfer] SHH_A_17(1ZZ1) HDAH_ALCSD [Raw transfer] SHH_A_3(1T69) HDAC8_HUMAN [Raw transfer] B3N_C_19(4QA1) HDAC8_HUMAN [Raw transfer] B3N_A_8(4BZ7) ? [Raw transfer] TSN_A_3(4QA3) HDAC8_HUMAN [Raw transfer] SHH_C_22(4BZ6) ? [Raw transfer] L8G_B_12(4RN1) HDAC8_HUMAN [Raw transfer] L7G_B_10(4RN2) HDAC8_HUMAN [Raw transfer] L6G_A_3(4RN0) HDAC8_HUMAN [Raw transfer] L8G_A_6(4RN1) HDAC8_HUMAN [Raw transfer]
194			96.03	100%	-116	- C2 -	U194	-		-
191			67.70	100%	-114	- C2 -	U191	-		-
192			67.32	100%	-120	- C2 -	U192	-		-
195			67.01	100%	-118	- C2 -	U195	-		-
193			46.64	100%	-118	- C2 -	U193	-		-

User Run . : Multi Template Modeling Result:

	(2 SA)										Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
			(Atome)	(Ident)	(Tito)	(Num)		(pKd)	(Uniprot)		SHH_B_10(4QA2) HDAC8_HUMAN [Raw transfer] NHB_B_10(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_4(5DC5) HDAC8_HUMAN [Raw transfer] SHH_B_10(4QA0) HDAC8_HUMAN [Raw transfer] TSN_A_10(5G0G) ? [Raw transfer] B3N_B_10(3MZ3) HDAC8_HUMAN [Raw transfer] TSN_B_15(1T64) HDAC8_HUMAN [Raw transfer] B3N_B_11(3EZP) HDAC8_HUMAN [Raw transfer] TSN_B_10(5D1B) HDAC8_HUMAN [Raw transfer] V5X_B_10(2V5X) HDAC8_HUMAN [Raw transfer] TSN_A_6(5D1B) HDAC8_HUMAN [Raw transfer] TSN_B_3(5EDU) HDAC6_HUMAN [Raw transfer] B3N_B_11(3F06) HDAC8_HUMAN [Raw transfer] TSN_B_12(3F0R) HDAC8_HUMAN [Raw transfer] SHH_A_6(5EEI) ? [Raw transfer] SHH_A_6(4QA0) HDAC8_HUMAN [Raw transfer] TSN_B_12(4QA3) HDAC8_HUMAN [Raw transfer] TSN_C_17(3F0R) HDAC8_HUMAN [Raw transfer] NHB_A_6(1W22) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ4) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ6) HDAC8_HUMAN [Raw transfer] B3N_A_5(3MZ7) HDAC8_HUMAN [Raw transfer] XCH_A_6(5BWZ) HDAC8_HUMAN [Raw transfer] AGE_A_8(3F07) HDAC8_HUMAN [Raw transfer] XCH_B_10(5BWZ) HDAC8_HUMAN [Raw transfer] J38_A_8(4BZ8) ? [Raw transfer] J38_D_20(4BZ8) ? [Raw transfer] SHH_C_24(4LXZ) HDAC2_HUMAN [Raw transfer] SHH_A_10(4LXZ) HDAC2_HUMAN [Raw transfer] B3N_B_11(3EZT) HDAC8_HUMAN [Raw transfer] SHH_B_18(4LXZ) HDAC2_HUMAN [Raw transfer] 5YA_A_3(5FCW) ? [Raw transfer] B3N_A_5(1T67) HDAC8_HUMAN [Raw transfer] UV4_A_8(5FUE) ? [Raw transfer] B3N_A_2(4QA4) HDAC8_HUMAN [Raw transfer] B3N_A_8(4QA1) HDAC8_HUMAN [Raw transfer] UV4_B_14(5FUE) ? [Raw transfer] TSN_A_8(3F0R) HDAC8_HUMAN [Raw transfer] TSN_A_13(1T64) HDAC8_HUMAN [Raw transfer] B3N_A_5(3EW8) HDAC8_HUMAN [Raw transfer] B3N_A_6(3MZ3) HDAC8_HUMAN [Raw transfer] B3N_B_13(4QA1) HDAC8_HUMAN [Raw transfer] B3N_D_24(4QA1) HDAC8_HUMAN [Raw transfer] KMY_B_14(4BZ9) ? [Raw transfer] KMY_A_8(4BZ9) ? [Raw transfer] SHH_A_17(1ZZ1) HDAH_ALCSD [Raw transfer] SHH_A_3(1T69) HDAC8_HUMAN [Raw transfer] B3N_C_19(4QA1) HDAC8_HUMAN [Raw transfer] B3N_A_8(4BZ7) ? [Raw transfer] TSN_A_3(4QA3) HDAC8_HUMAN [Raw transfer] SHH_C_22(4BZ6) ? [Raw transfer] L8G_B_12(4RN1) HDAC8_HUMAN [Raw transfer] L7G_B_10(4RN2) HDAC8_HUMAN [Raw transfer] L6G_A_3(4RN0) HDAC8_HUMAN [Raw transfer] L8G_A_6(4RN1) HDAC8_HUMAN [Raw transfer]
190			100.00	100%	0	- C- -	M190	-		-
196			76.85	100%	-71	- C- -	M196	-		-