Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYDKSPW--SLSQISEDLKKDSTDYFFVYNDGEVIGFLALQQLV---------GEVEITNIAVKKNYQGKGYAYQLMSMIAD------IEVPVFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDPIEGAIVMRKG
1S3Z Chain:A ((23-161))
-----------IRQMNKTHLEHWRGLRKQLWPGHPDDAHLADGEEILQADHLASFIAMADGVAIGFADASIRHDYVNGCDSSPVVFLEGIFVLPSFRQRGVAKQLIAAVQRWGTNKGCR-EMASDTSPENTISQKVHQALGFEETERVIFYRKRC----------
General information:
TITO was launched using:
RESULT:
Template:
1S3Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78213 for 820 contacts (-95.4/contact) +
2D Compatibility (PS) -13056 + (NN) -1988 + (LL) 2052
1D Compatibility (HY) -1600 + (ID) 1200
Total energy: -94005.0 ( -114.64 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_1S3Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S3Z-query.scw
PDB file :
Tito_Scwrl_1S3Z.pdb
: