Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKEDAEFMCKNSVMPRDRIIGVETGGCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNLSATFNPELADFTIFVIDVAEGDKIPR-KG-GPGITRSDLLVINKIDLAPYVGADLKVMERDSKKMRGEKPFIFTNIRAKEGLDDVIAWIKRNALLED
3GEH Chain:A ((225-383))
-LKVAIVGRPNVGKSSLLNAWSQSDR-----AIVTDLPGTTRDVVE--SQLVVGGIPVQVLD---------------------------------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKHRPLILVMNKIDLVEKQLI--TS----LEYPENITQIVHTAAAQKQGIDSLETAILEIVQTGK
General information:
TITO was launched using:
RESULT:
Template:
3GEH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44928 for 988 contacts (-45.5/contact) +
2D Compatibility (PS) -14498 + (NN) -3795 + (LL) 3408
1D Compatibility (HY) -2800 + (ID) 1500
Total energy: -64113.0 ( -64.89 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_3GEH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GEH-query.scw
PDB file :
Tito_Scwrl_3GEH.pdb
: