Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRSYQGKTPLLGERVFVDPSAVLVGDIEIGADSSVWPLVVIRGDMHRIRIGQRSSIQDGSVLHITHAGPFNPDGFPLSIGDEVTVGHKVLLHGCSIGNRVLVGMGSIVMDGAVIEDEVILGAGSLVPPGKVLESGFLYVGSPAKKARPLSDKERGFFAYTAGNYVKLKDLHIAEDYHA
3TIO Chain:B ((4-177))
--LHPYRDLFPQIGQRVMIDDSSVVIGDVRLADDVGIWPLVVIRGDVHYVQIGARTNIQDGSMLHVTHKS------NPLTIGEDVTVGHKVMLHGCTIGNRVLVGMGSILLDGAIVEDDVMIGAGSLVPQNKRLESGYLYLGSPVKQIRPLSDEEKAGLRYSANNYVKWKDEYLDQ----
General information:
TITO was launched using:
RESULT:
Template:
3TIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143766 for 1416 contacts (-101.5/contact) +
2D Compatibility (PS) -18507 + (NN) -7592 + (LL) -12
1D Compatibility (HY) -21600 + (ID) 4900
Total energy: -196377.0 ( -138.68 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_3TIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIO-query.scw
PDB file :
Tito_Scwrl_3TIO.pdb
: