Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
3CLX Chain:D ((28-128))
--------------TNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVR--
General information:
TITO was launched using:
RESULT:
Template:
3CLX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23355 for 695 contacts (-33.6/contact) +
2D Compatibility (PS) -11083 + (NN) -7428 + (LL) 316
1D Compatibility (HY) -14000 + (ID) 5050
Total energy: -60600.0 ( -87.19 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_3CLX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CLX-query.scw
PDB file :
Tito_Scwrl_3CLX.pdb
: