Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLEP
4KOT Chain:A ((3-161))
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLE-
General information:
TITO was launched using:
RESULT:
Template:
4KOT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116668 for 1240 contacts (-94.1/contact) +
2D Compatibility (PS) -17173 + (NN) -10252 + (LL) -140
1D Compatibility (HY) -22400 + (ID) 7950
Total energy: -174583.0 ( -140.79 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_4KOT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KOT-query.scw
PDB file :
Tito_Scwrl_4KOT.pdb
: