Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKDIENRFGAKIQDIKVLKSGWAGEIISLEFKDNTQKYVIKTYNSSKNGLENIKQEWTGLNLLYNANYPVPRPIISDFVNEKPYIVMEKIEGE-NLWTCYQTLSKEDRQQLLEKFVKVFLKLHELDVSIIDKELRKDSTSSFIEKEINEIKKLVEENK----LEYFTQIIDWLQKEKANIIGEKLSIIHRDYHPWNVIVDNNKAIYVIDLLW-GIGDYRFDLAWMYTLMERSGFEDFSQNALKKYKELKNQN-INNFEYFKVFSTLRWLINVMISLKTGENLNETRNKEFENFVSPLIQNRIMSIKKITGIQITI 4R78 Chain:A ((37-277)) ----------EEVLSVEQL-GGMTNQNYLAKTTN--KQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDI---EAGIKVNEYIESAITLDSTS-------IKTKFDKIAPILQTIHTSAKEL-RGEFA----P---FEEIKKYESLIEEQIPYANYESVRNAVFSLEKRL-ADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEF--TSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVY-----------------------------------------

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 : 1031 -11102 -10.77 -47.44 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -10.77 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.304

(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: