Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALAKIVYASMTGNTEEIADIVADKLRDLGLDVEVEECTMVDAAD-FEDADIAIVATYTYGDG--DLPDEIVDFYEDLAEVDLSGKVYGVVGSGDTFYDYFCKSVDEFEAQFALTGAQKGADCVKVDLAAEDEDIENLEAFAEEIASKLN
1BU5 Chain:A ((3-126))
---ALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI--
General information:
TITO was launched using:
RESULT:
Template:
1BU5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70515 for 960 contacts (-73.5/contact) +
2D Compatibility (PS) -13206 + (NN) -5942 + (LL) 848
1D Compatibility (HY) -6800 + (ID) 2150
Total energy: -97765.0 ( -101.84 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_1BU5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BU5-query.scw
PDB file :
Tito_Scwrl_1BU5.pdb
: