Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPIVIKPDLAIDLATAGAVVARTGVDG--QIAAISLLYGGEISAVYELALAGGLPPLVLKIYPDSM--SWKMRKEARMLDLVRDRLPVPAPRLHLADASRDLIGLDYVVMSRLAGD-RLGPLEQQLPPPLRQSAFRQVGRLSRAFHDIAMEAFGYIGPDGVWTAHADNRTYLTVQFDRKLTEFSSRGGAPDLALRIARHVEACSGLFE-ACAAPVLCHNDLHPGNILARADDDTVTLTGVVDFEGALAGDPLKDVAKALYYL--SAGQREAFLEGYGPMTRTEVGATLDIYRLLFSLELWCWYAQFDATDKLAPLIADMELLLRSQ 4R78 Chain:A ((23-276)) --------------KIIKEKIS-SLLSQEEEVLSVEQL-GGMTNQNYLAKTTN-K-QYIVKFFGKGTEKLINRQDEKYNLELLKD-LGLDVKNYLFDIE------AGIKVNEYIESAITLDST-------SIKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLI----EEQ-------IP----YANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQ-G--R-LYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTV----------------------

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 : 1099 8189 7.45 33.29 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 7.45 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.265

(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: