Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTFDLTAALGDRANQPEISRLLVAQLMTSNNEDTRKLRRAQEREQTQELNELAHRLAGMASLIHAHAVERACHQLEIACGESSVRKLADAVDDLVTALGELQCELHDWMTMTAPQGTAKS
3IWA Chain:A ((89-122))
-----------------------------------------------------------------AHAIDRAAHTVEIENLRTGERRTLK-YDKLVLALGSKANRPPVEGMDLAGVTPVTN
General information:
TITO was launched using:
RESULT:
Template:
3IWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -9768 for 143 contacts (-68.3/contact) +
2D Compatibility (PS) -3539 + (NN) 1196 + (LL) 5732
1D Compatibility (HY) -1200 + (ID) 750
Total energy: -8329.0 ( -58.24 by residue)
QMean score : -0.008
(partial model without unconserved sides chains):
PDB file :
Tito_3IWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IWA-query.scw
PDB file :
Tito_Scwrl_3IWA.pdb
: