Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSKLLETTLLKQLKETHDDFSIQNINSLHGGYLNHVFQINSNLKPTVLWLNENKDSPKLSRQL-IAIAILKKYFYSLIPDVYTSNRSSIG--CYYIMSKLNG-ENLERTLPYLTTEEQIHFFKSMGHLLGNIHLIGSKEKVGYLDNLQRIPWKDWLGKYINSLIQDLLSQESHHNNSKWLTVQNALINHLEFIDEPN-NFSFLHGDYYPGNILYTEDFISGLLDFEWSLYGDPLYDFRVMEVFIFRE------FPYHKEFYNSYQQVRKLPSDFYKTI--LFYAKVYQLELISMAYSCFSKDHYFIKNMEPDLINWASKNK------------
2PPQ Chain:A ((5-320))-TDITEDELRNFLT----QYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPE---------AKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEV---------EKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA


General information:
TITO was launched using:
RESULT:

Template: 2PPQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1314 -85977 -65.43 -301.67
target 2D structure prediction score : 0.50
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -65.43
2D Compatibility (Sec. Struct. Predict.) : 0.50
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.411

(partial model without unconserved sides chains):
PDB file : Tito_2PPQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2ppq-query.scw
PDB file : Tito_Scwrl_2PPQ.pdb: