@TOME V2.3
(Mar 2018)

Ref. - - Doc.
Global output mode :
Sort entries by :
Sequence Color type :

Show alignment :
Column output:
Score:

Alignment:

3D Common Core:

Structural Clustering:

Modeller Result :

Complexes Modeling
Templates Information:
Sequence & Result Tab:

Values color: [ Good | Correct | Middling | Bad ]Modeled complexes Tab: Displays ligands Score after transfer from template to model
Cell color: RMS between binding site of experimental template and receptor model: [‹ 3Å | ‹ 10Å | › 10Å]
Result: [ Good | Correct | Acceptable | Bad | Empty = ligand not selected during the calculation step or result rejected ]

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]




SHH_B_10(4QA0)
HDAC8_HUMAN
[Raw transfer]




B3N_A_4(5DC5)
HDAC8_HUMAN
[Raw transfer]




TSN_B_15(1T64)
HDAC8_HUMAN
[Raw transfer]




TSN_A_10(5G0G)
?
[Raw transfer]




B3N_B_10(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3EZP)
HDAC8_HUMAN
[Raw transfer]




TSN_B_10(5D1B)
HDAC8_HUMAN
[Raw transfer]




TSN_B_3(5EDU)
HDAC6_HUMAN
[Raw transfer]




V5X_B_10(2V5X)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3F06)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(3F0R)
HDAC8_HUMAN
[Raw transfer]




TSN_A_6(5D1B)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(4QA0)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(5EEI)
?
[Raw transfer]




NHB_A_6(1W22)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(4QA3)
HDAC8_HUMAN
[Raw transfer]




TSN_C_17(3F0R)
HDAC8_HUMAN
[Raw transfer]




B3N_A_6(3MZ4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ6)
HDAC8_HUMAN
[Raw transfer]




XCH_A_6(5BWZ)
HDAC8_HUMAN
[Raw transfer]




AGE_A_8(3F07)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ7)
HDAC8_HUMAN
[Raw transfer]




J38_A_8(4BZ8)
?
[Raw transfer]




XCH_B_10(5BWZ)
HDAC8_HUMAN
[Raw transfer]




J38_D_20(4BZ8)
?
[Raw transfer]




SHH_C_24(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_B_11(3EZT)
HDAC8_HUMAN
[Raw transfer]




SHH_B_18(4LXZ)
HDAC2_HUMAN
[Raw transfer]




SHH_A_10(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_A_5(1T67)
HDAC8_HUMAN
[Raw transfer]




5YA_A_3(5FCW)
?
[Raw transfer]




B3N_A_2(4QA4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4QA1)
HDAC8_HUMAN
[Raw transfer]




UV4_A_8(5FUE)
?
[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_6(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3EW8)
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]




TSN_A_3(4QA3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4BZ7)
?
[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 79.2635% -39 - C2 -4BZ7 5.4 ?
174 HHSearch 66.2924% -18 - C2 -5EDU 5.9 HDAC6_HUMAN (first)
168 HHSearch 65.8622% -8 - C2 -5G0G 5.7 ?
169 HHSearch 65.5824% -44 - C2 -1ZZ1 5.3 HDAH_ALCSD
167 HHSearch 64.3424% -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]




SHH_B_10(4QA0)
HDAC8_HUMAN
[Raw transfer]




B3N_A_4(5DC5)
HDAC8_HUMAN
[Raw transfer]




TSN_B_15(1T64)
HDAC8_HUMAN
[Raw transfer]




TSN_A_10(5G0G)
?
[Raw transfer]




B3N_B_10(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3EZP)
HDAC8_HUMAN
[Raw transfer]




TSN_B_10(5D1B)
HDAC8_HUMAN
[Raw transfer]




TSN_B_3(5EDU)
HDAC6_HUMAN
[Raw transfer]




V5X_B_10(2V5X)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3F06)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(3F0R)
HDAC8_HUMAN
[Raw transfer]




TSN_A_6(5D1B)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(4QA0)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(5EEI)
?
[Raw transfer]




NHB_A_6(1W22)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(4QA3)
HDAC8_HUMAN
[Raw transfer]




TSN_C_17(3F0R)
HDAC8_HUMAN
[Raw transfer]




B3N_A_6(3MZ4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ6)
HDAC8_HUMAN
[Raw transfer]




XCH_A_6(5BWZ)
HDAC8_HUMAN
[Raw transfer]




AGE_A_8(3F07)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ7)
HDAC8_HUMAN
[Raw transfer]




J38_A_8(4BZ8)
?
[Raw transfer]




XCH_B_10(5BWZ)
HDAC8_HUMAN
[Raw transfer]




J38_D_20(4BZ8)
?
[Raw transfer]




SHH_C_24(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_B_11(3EZT)
HDAC8_HUMAN
[Raw transfer]




SHH_B_18(4LXZ)
HDAC2_HUMAN
[Raw transfer]




SHH_A_10(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_A_5(1T67)
HDAC8_HUMAN
[Raw transfer]




5YA_A_3(5FCW)
?
[Raw transfer]




B3N_A_2(4QA4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4QA1)
HDAC8_HUMAN
[Raw transfer]




UV4_A_8(5FUE)
?
[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_6(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3EW8)
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]




TSN_A_3(4QA3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4BZ7)
?
[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 96.03100%-116 - C2 -U194 - -
191 67.70100%-114 - C2 -U191 - -
192 67.32100%-120 - C2 -U192 - -
195 67.01100%-118 - C2 -U195 - -
193 46.64100%-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]




SHH_B_10(4QA0)
HDAC8_HUMAN
[Raw transfer]




B3N_A_4(5DC5)
HDAC8_HUMAN
[Raw transfer]




TSN_B_15(1T64)
HDAC8_HUMAN
[Raw transfer]




TSN_A_10(5G0G)
?
[Raw transfer]




B3N_B_10(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3EZP)
HDAC8_HUMAN
[Raw transfer]




TSN_B_10(5D1B)
HDAC8_HUMAN
[Raw transfer]




TSN_B_3(5EDU)
HDAC6_HUMAN
[Raw transfer]




V5X_B_10(2V5X)
HDAC8_HUMAN
[Raw transfer]




B3N_B_11(3F06)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(3F0R)
HDAC8_HUMAN
[Raw transfer]




TSN_A_6(5D1B)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(4QA0)
HDAC8_HUMAN
[Raw transfer]




SHH_A_6(5EEI)
?
[Raw transfer]




NHB_A_6(1W22)
HDAC8_HUMAN
[Raw transfer]




TSN_B_12(4QA3)
HDAC8_HUMAN
[Raw transfer]




TSN_C_17(3F0R)
HDAC8_HUMAN
[Raw transfer]




B3N_A_6(3MZ4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ6)
HDAC8_HUMAN
[Raw transfer]




XCH_A_6(5BWZ)
HDAC8_HUMAN
[Raw transfer]




AGE_A_8(3F07)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3MZ7)
HDAC8_HUMAN
[Raw transfer]




J38_A_8(4BZ8)
?
[Raw transfer]




XCH_B_10(5BWZ)
HDAC8_HUMAN
[Raw transfer]




J38_D_20(4BZ8)
?
[Raw transfer]




SHH_C_24(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_B_11(3EZT)
HDAC8_HUMAN
[Raw transfer]




SHH_B_18(4LXZ)
HDAC2_HUMAN
[Raw transfer]




SHH_A_10(4LXZ)
HDAC2_HUMAN
[Raw transfer]




B3N_A_5(1T67)
HDAC8_HUMAN
[Raw transfer]




5YA_A_3(5FCW)
?
[Raw transfer]




B3N_A_2(4QA4)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4QA1)
HDAC8_HUMAN
[Raw transfer]




UV4_A_8(5FUE)
?
[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_6(3MZ3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_5(3EW8)
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]




TSN_A_3(4QA3)
HDAC8_HUMAN
[Raw transfer]




B3N_A_8(4BZ7)
?
[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]




190 100.00100% 0 - C- -M190 - -
196 76.85100% -71 - C- -M196 - -