Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQDISLSFYKPEHLPELQSFTLTNDDKRFTSLPKEVLSQALGIQDRYPVVILKDDLPVGFFILHASKETLASYSNNPFALLLSSLSLTAVHHGKGYAKKAMLLLPAFVSGYFPWCDEIILAVNHLNIRAKHLYMKSGFLDKGRRRIGPLGEQLILHHFL
1S3Z Chain:A ((19-159))
--SHMDIRQMNKTHLEHWRGLRKQLWPGHPDDAHLADGEEILQADHLASFIAMADGVAIGFADASIR-HDYVNGCDSSPVVFLEGIFVLPSFRQRGVAKQLIAAVQRWGTNK--GCREMASDTSPENTISQKVHQALGFEETERVI--------------
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) -111150 for 1011 contacts (-109.9/contact) +
2D Compatibility (PS) -15342 + (NN) -6414 + (LL) 1388
1D Compatibility (HY) 400 + (ID) 800
Total energy: -131918.0 ( -130.48 by residue)
QMean score : 0.417
(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
: