Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MISKEDLLELMKIRHSRRSYGQSKLAHQEEINMLIETAWLSPSRYGDEPWRQVICNRQSNQDAWEKLLSCPTEPNQKWAKDTQILIISLSTKNFHDH-----T-------------------------K----IVNFWGSHDTGIANYTFMLQSYIYEFNAHQMSRFDRNKIVKNSIYQMILI
3BEM Chain:A ((13-180))
---MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQ---DVKEKLKQAA--NGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAAAAGWDTCPMIGFDAEAVKRILNIDDQFE
General information:
TITO was launched using:
RESULT:
Template:
3BEM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43622 for 885 contacts (-49.3/contact) +
2D Compatibility (PS) -14291 + (NN) -8353 + (LL) 552
1D Compatibility (HY) -2400 + (ID) 1200
Total energy: -69314.0 ( -78.32 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_3BEM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BEM-query.scw
PDB file :
Tito_Scwrl_3BEM.pdb
: