Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIGNKVITLPAGVEIINKDNVVTVKGPKGELTREFNKNIGITVEGTEVTVTRPNDSKEMKTIHGTTRANLNNMVVGVSEGFKKALEMRGVGYRAQLQGSKLVLSVGKSHQDEVEAPEGVTFEVPTPTTINVIGINKESVGQTAAYVRSLRSPEPYKGKGIRYVGEFVRRKEGKTGK
2ZJR Chain:E ((5-167))
----GKQPIAVPSGVTVNAQDGVFKVKGPKGELTVPYNTELTVRQDGDQLLVERPSDAQKHRALHGLTRTLVANAVKGVSDGYTINLELRGVGFRAKLTGKALEMNIGYSHPVIIEPPAGVTFAVPEPTRIDVSGIDKQLVGQVAANVRKVRKPDAYHGKGVRFVGEQIALKAGK---
General information:
TITO was launched using:
RESULT:
Template:
2ZJR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42242 for 1164 contacts (-36.3/contact) +
2D Compatibility (PS) -17448 + (NN) -4384 + (LL) 908
1D Compatibility (HY) -12400 + (ID) 3900
Total energy: -79466.0 ( -68.27 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_2ZJR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ZJR-query.scw
PDB file :
Tito_Scwrl_2ZJR.pdb
: