Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRSYQGKTPLLGERVFVDPSAVLVGDIEIGADSSVWPLVVIRGDMHRIRIGQRSSIQDGSVLHITHAGPFNPDGFPLSIGDEVTVGHKVLLHGCSIGNRVLVGMGSIVMDGAVIEDEVILGAGSLVPPGKVLESGFLYVGSPAKKARPLSDKERGFFAYTAGNYVKLKDLHIAEDYHA
3TIO Chain:A ((4-177))
--LHPYRDLFPQIGQRVMIDDSSVVIGDVRLADDVGIWPLVVIRGDVHYVQIGARTNIQDGSMLHVTHKSSYNPDGNPLTIGEDVTVGHKVMLHGCTIGNRVLVGMGSILLDGAIVEDDVMIGAGSLVPQNKRLESGYLYLGSPVKQIRPLSDEEKAGLRYSANNYVKWKDEYLDQ----
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) -137587 for 1466 contacts (-93.9/contact) +
2D Compatibility (PS) -19437 + (NN) -11772 + (LL) 464
1D Compatibility (HY) -22000 + (ID) 5100
Total energy: -195432.0 ( -133.31 by residue)
QMean score : 0.544
(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
: