@TOME V2.3
(Mar 2018)

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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 : MYCT_HUMAN: (2018-03-07 )
MSRKASENVEYTLRSLSSLMGERRRKQPEPDAASAAGECSLLAAAESSTSLQSAGAGGGGVGDLERAARRQFQQDETPAFVYVVAVFSALGGFLFGYDTGVVSGAMLLLKRQLSLDALWQELLVSSTVGAAAVSALAGGALNGVFGRRAAILLASALFTAGSAVLAAANNKETLLAGRLVVGLGIGIASMTVPVYIAEVSPPNLRGRLVTINTLFITGGQFFASVVDGAFSYLQKDGWRYMLGLAAVPAVIQFFGFLFLPESPRWLIQKGQTQKARRILSQMRGNQTIDEEYDSIKNNIEEEEKEVGSAGPVICRMLSYPPTRRALIVGCGLQMFQQLSGINTIMYYSATILQMSGVEDDRLAIWLASVTAFTNFIFTLVGVWLVEKVGRRKLTFGSLAGTTVALIILALGFVLSAQVSPRITFKPIAPSGQNATCTRYSYCNECMLDPDCGFCYKMNKSTVIDSSCVPVNKASTNEAAWGRCENETKFKTEDIFWAYNFCPTPYSWTALLGLILYLVFFAPGMGPMPWTVNSEIYPLWARSTGNACSSGINWIFNVLVSLTFLHTAEYLTYYGAFFLYAGFAAVGLLFIYGCLPETKGKKLEEIESLFDNRLCTCGTSDSDEGRYIEYIRVKGSNYHLSDNDASDVEENTREESDIFFERENTES

Atome Classification :

(14 SA) Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
(Atome) (Ident) (Tito) (Num) (pKd) (Uniprot)

BNG_A_2(4PYP)
GTR1_HUMAN
[Raw transfer]




BGC_A_2(4GBZ)
XYLE_ECOLI
[Raw transfer]




MAL_A_5(4ZWC)
GTR3_HUMAN
[Raw transfer]




MAL_A_2(4ZWB)
GTR3_HUMAN
[Raw transfer]




GLC_A_5(4ZW9)
GTR3_HUMAN
[Raw transfer]




XYP_A_2(4GBY)
XYLE_ECOLI
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




5RH_A_2(5EQI)
GTR1_HUMAN
[Raw transfer]




5RF_A_2(5EQH)
GTR1_HUMAN
[Raw transfer]




5RE_A_2(5EQG)
GTR1_HUMAN
[Raw transfer]




GLC_A_5(4ZW9)
GTR3_HUMAN
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




5RE_A_2(5EQG)
GTR1_HUMAN
[Raw transfer]




21 Fugue 82.1330%-105 - C3 -4GC0 4.2 XYLE_ECOLI
34 HHSearch 81.4630%-113 - C3 -4GC0 4.2 XYLE_ECOLI
35 HHSearch 81.1130%-113 - C3 -4GBY 3.4 XYLE_ECOLI
33 HHSearch 80.6327% -96 - C3 -5EQG 5.3 GTR1_HUMAN
31 HHSearch 80.1929% -92 - C3 -4ZW9 3.5 GTR3_HUMAN
7 PsiBlast_PDB 67.4332% -60 - C3 -4ZW9 3.4 GTR3_HUMAN
8 PsiBlast_PDB 66.5932% -61 - C3 -4ZWB 3.3 GTR3_HUMAN
9 PsiBlast_PDB 65.5732% -62 - C3 -4ZWC 3.6 GTR3_HUMAN
13 PsiBlast_PDB 63.9829% -54 - C3 -5EQI 3.8 GTR1_HUMAN
14 PsiBlast_PDB 63.9129% -54 - C3 -4PYP 2.7 GTR1_HUMAN
12 PsiBlast_PDB 63.6529% -47 - C3 -5EQH 4.2 GTR1_HUMAN
11 PsiBlast_PDB 63.4229% -49 - C3 -5EQG 3.6 GTR1_HUMAN
3 PsiBlast_PDB 62.6830% -83 - C3 -4GBZ 2.3 XYLE_ECOLI
4 PsiBlast_PDB 61.6530% -83 - C3 -4GC0 3.3 XYLE_ECOLI


Add PDB User Result:

(2 SA) Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
(Atome) (Ident) (Tito) (Num) (pKd) (Uniprot)

BNG_A_2(4PYP)
GTR1_HUMAN
[Raw transfer]




BGC_A_2(4GBZ)
XYLE_ECOLI
[Raw transfer]




MAL_A_5(4ZWC)
GTR3_HUMAN
[Raw transfer]




MAL_A_2(4ZWB)
GTR3_HUMAN
[Raw transfer]




GLC_A_5(4ZW9)
GTR3_HUMAN
[Raw transfer]




XYP_A_2(4GBY)
XYLE_ECOLI
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




5RH_A_2(5EQI)
GTR1_HUMAN
[Raw transfer]




5RF_A_2(5EQH)
GTR1_HUMAN
[Raw transfer]




5RE_A_2(5EQG)
GTR1_HUMAN
[Raw transfer]




GLC_A_5(4ZW9)
GTR3_HUMAN
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




6BG_A_2(4GC0)
XYLE_ECOLI
[Raw transfer]




5RE_A_2(5EQG)
GTR1_HUMAN
[Raw transfer]




55 -99%-109 - C3 -U055 2.8
56 -99%-135 - C3 -U056 5.9