Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEEETQHADALLRRILLLEGTPRMRP-DDIHPGTTVPEMLEADLKLERHVRAALAKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIARMGLENYLQSQI
4TOA Chain:S ((3-154))
--GDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESIDEMKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKDLREAIVHCEQVHDYVSRDLLK-DILESEEEHIDYLETQLGLIQKVGLELYLQSHM
General information:
TITO was launched using:
RESULT:
Template:
4TOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64027 for 1143 contacts (-56.0/contact) +
2D Compatibility (PS) -17204 + (NN) -15469 + (LL) 472
1D Compatibility (HY) -14400 + (ID) 3550
Total energy: -114178.0 ( -99.89 by residue)
QMean score : 0.664
(partial model without unconserved sides chains):
PDB file :
Tito_4TOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TOA-query.scw
PDB file :
Tito_Scwrl_4TOA.pdb
: