Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKSPPRFLNSPLSDFFIKWMSRINTWMYRRNDGEGLGGTFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWYLNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSWTDRTIPIVVCEP
3R5R Chain:B ((4-112))
------------------------------------------KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWYLNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSWTDRTIPIVVCEP
General information:
TITO was launched using:
RESULT:
Template:
3R5R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65219 for 791 contacts (-82.5/contact) +
2D Compatibility (PS) -12323 + (NN) -6841 + (LL) 1596
1D Compatibility (HY) -14800 + (ID) 5450
Total energy: -103037.0 ( -130.26 by residue)
QMean score : 0.661
(partial model without unconserved sides chains):
PDB file :
Tito_3R5R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R5R-query.scw
PDB file :
Tito_Scwrl_3R5R.pdb
: