Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANPLDHKIKEYLRKLDPTILDIDNIQSISTHKIGLGESNLNYLAIINGKKFNIRINMYPHFPKKSENEFN------SLKIVEPLGITPKVFHYEASKEILGETFIILE-YLDGRSL-NKYKKIGGDVIRKLGVAVAQLHNTNINNIENRLKRHGSSKMDLLNIIKQMIEYINRKRKHYFPIRGVFENVLEKSYKHLQRLNFPIKPSYVLGHGDIDPSNVISS-QRKLKLIDWEDLGLMDPALEIVGLFDSFDLSNKEKELFLKGYLEVREDTSLKKKLPIFLPFQIFRVFCWAIMHIYELGEGETNEVFLKEQDLKEHIDYTEKMFTKCKKAEIIDKDVRWNISEIVPEHYLKLTT 4R77 Chain:B ((20-263)) ----------------------------LSVEQLG-GMTNQNYLAKTTNKQYIVKF-----FGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTSIKTKFDKIA-PILQTIHTSAKELRGEFAPFEE--IKKYES-------LIEEQIPYAN-----YESVR----NAVFSLEKRLADLGVDRKSCHI----DLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHY-ESDQTPVSHEKIAI---YKILQDTIWSLWTVYKEEQGE----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R77.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1024 29994 29.29 127.63 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 29.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.267

(partial model without unconserved sides chains): PDB file : Tito_4R77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r77-query.scw PDB file : Tito_Scwrl_4R77.pdb: