Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDECVVDAAAVVDALAGKGASA-IVLRGLLKE-SISNAPHLLDAEVGHALRRAVLSDEISEEQARAALDALPYLIDNRYPHSP-RLIEYTWQL--R-----HNV-TFYDALYVALATALDVPLLTGDSRLAAAPGLPCEIKLVR
4CHG Chain:A ((1-125))
--AMIVDTSVWIAYLSTSESLASRWLADRIAADSTVIVPEVVMMELLIGKTDED-----TAALRR----RLLQ-RFAIEPLAPVRDAEDAAAIHRRCRRGGDTVRSLIDCQVAAMALRIGVAVAHRDRDYEAIRTHC-------
General information:
TITO was launched using:
RESULT:
Template:
4CHG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58940 for 839 contacts (-70.3/contact) +
2D Compatibility (PS) -12898 + (NN) -8495 + (LL) 1972
1D Compatibility (HY) -2800 + (ID) 1100
Total energy: -82261.0 ( -98.05 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_4CHG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CHG-query.scw
PDB file :
Tito_Scwrl_4CHG.pdb
: