Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRNQKEWESVSKKGLMKPGGTSIVKAAGCMGCWASKSIAMTRVCALPHPAMRAI
4PKY Chain:B ((2-50))
------EFEVLALQASLRKAQMQNHSLEMTLEQKTKEIDELTRICDDLISKMEKI
General information:
TITO was launched using:
RESULT:
Template:
4PKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -1800 for 190 contacts (-9.5/contact) +
2D Compatibility (PS) -4747 + (NN) 2164 + (LL) 476
1D Compatibility (HY) -400 + (ID) 350
Total energy: -4657.0 ( -24.51 by residue)
QMean score : -0.188
(partial model without unconserved sides chains):
PDB file :
Tito_4PKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PKY-query.scw
PDB file :
Tito_Scwrl_4PKY.pdb
: