Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFLVLAVLLTVGAAQEGISSRALWQFRSMIKCAIPGSHPLMDFNNYGCYCGLGGSGTPVDELDRCCETHDNCYRDAKNLDSCKFLVDNPYTESYSYSCSNTEITCNSKNNACEAFICNCDRNAAICFSKAPYNKEHKNLDTKKYC
2BAX Chain:A ((1-121))
----------------------ALWQFNGMIKCKIPSSEPLLDFNNYGCYCGLGGSGTPVDDLDRCCQTHDNCYMQAMKLDSCKVLVDNPYTNNYSYSCSNNEITCSSENNACEAFICNCDRNAAICFSKVPYNKEHKNLDKK---
General information:
TITO was launched using:
RESULT:
Template:
2BAX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67400 for 908 contacts (-74.2/contact) +
2D Compatibility (PS) -12773 + (NN) -6597 + (LL) 2508
1D Compatibility (HY) -16800 + (ID) 5050
Total energy: -106112.0 ( -116.86 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_2BAX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BAX-query.scw
PDB file :
Tito_Scwrl_2BAX.pdb
: