Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQL-GGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGK-ALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSH-VKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDK-KRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK 4R78 Chain:A ((39-253)) --------------------------VLSVEQLGGMTNQNYLAKTT--NKQYIVKFFGKGTE-KLINRQDEKYNLELLKDLG-----LDVKNYLF-DIEAGIKVNEYIESAITLDSTSI-----------KTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPY-ANYESVRNAVFSL----EKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEF-----------TSQEEETFLSHYESDQT---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 844 36490 43.23 172.94 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 43.23 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: