Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIGNKVITLPAGVEIINKDNVVTVKGPKGELTREFNKNIGITVEGTEVTVTRPNDSKEMKTIHGTTRANLNNMVVGVSEGFKKALEMRGVGYRAQLQGSKLVLSVGKSHQDEVEAPEGVTFEVPTPTTINVIGINKESVGQTAAYVRSLRSPEPYKGKGIRYVGEFVRRKEGKTGK
4IOA Chain:E ((5-167))
----GKQPIAVPSGVTVNAQDGVFKVKGPKGELTVPYNTELTVRQDGDQLLVERPSDAQKHRALHGLTRTLVANAVKGVSDGYTINLELRGVGFRAKLTGKALEMNIGYSHPVIIEPPAGVTFAVPEPTRIDVSGIDKQLVGQVAANVRKVRKPDAYHGKGVRFVGEQIALKAGK---
General information:
TITO was launched using:
RESULT:
Template:
4IOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54607 for 1137 contacts (-48.0/contact) +
2D Compatibility (PS) -17900 + (NN) -8637 + (LL) 908
1D Compatibility (HY) -12400 + (ID) 3900
Total energy: -96536.0 ( -84.90 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_4IOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOA-query.scw
PDB file :
Tito_Scwrl_4IOA.pdb
: