Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSDETHAYWLEAAHALLGDASAEILAGDSEVATLLLTLTDRRQVVMKAVRAASEKRANLFFQWEALMLLSAEPDFPGPQPVSRHSLSDETEVFVLGYVPGR-HPAFE-SDEDFRVFGATLARFHKISKGKRLSGATNWDLHRVARHYENPLLLQLLSDQERTIVAAALDRFGPQFQAQIDEGVWTGLVHSDSHRHNVVIDG-ARGSLIDFGECGFGALFWDLGVAVADSAVDAPERGEVCRQNLVAGYCTVTPEAEPIVDKTLPVFEAMRSLEVITWPVSDWSPERLAGDKEEARDNIEVSVRHLEALLDSP 4R78 Chain:A ((40-304)) --------------------LSVEQL-GGMTNQNYLAKTT-NKQYIVKFFGKGTEKLINRQDEKYNLELLKDL-GLDVKNYLFDI----EAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELRGEFAP-F---EEIKKYESLIEE-QIPYANYESVRNAVFSLEKRLAD--LGVDR-KSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLES-E----FTSQEEETFLSHYESDQTPV--SH-EKIAIYKILQDTIWSLWTVYKEEQG--EDFGDYGVNRYQRAVKGLASYG---

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 : 1241 3700 2.98 14.12 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 2.98 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.319

(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: