Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEEETQHADALLRRILLLEGTPRMRPDDIHPGTTVPEMLEADLKLERHVRAALAKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIARMGLENYLQSQI
3R2K Chain:A ((1-154))
MQGHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEEETQHADALLRRILLLEGTPRMRPDDIHPGTTVPEMLEADLKLERHVRAALAKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIARMGLENYLQSQI
General information:
TITO was launched using:
RESULT:
Template:
3R2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43289 for 1209 contacts (-35.8/contact) +
2D Compatibility (PS) -17174 + (NN) -10895 + (LL) 0
1D Compatibility (HY) -21200 + (ID) 7700
Total energy: -100258.0 ( -82.93 by residue)
QMean score : 0.663
(partial model without unconserved sides chains):
PDB file :
Tito_3R2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R2K-query.scw
PDB file :
Tito_Scwrl_3R2K.pdb
: