Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSALELPAKILEWIEKAAG--SPVLKADRIPGGGTRQGWLVDVAAAAAGDGSGKLFLRYSPERLPDRGAFHRLATEAEVLRALRGAGVAVPAVCAVHPVEEAVLLERVPGE-TWFYRIRDPDEQVRVAQDFIRSLAKVHRLDPADLGVPGLGPVRSAREHALERIAEIRRRGTAPDG-SIDPLVRLSADWLESHVPDYDGPVVLVQGDTGPGNFLYQDGRVTAVLDWELCHFGDPMDDIAWLSLRTVQDTFTHLPDRLAEYEKLSGHAIDVDRVRYYRVFAETTMATLTPNEGARAPAAEDGSGGADKDVGNHLLYAQLHRRLWLEALNAVMGLGLKKPVMPEPVDSSDWQPLYGDVLAMLRTITPRMGDALAVQWSKGIARLVRYLRELDACGRAGNELERSDIASLLGFTPLSLPAGRDALARANAAGRVSDVDFTRYLWNRVMRDDHLMRHASGALHSRTWPPLTNPS 4R78 Chain:A ((20-278)) ----HMEKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTT-------NKQYIVKFFGKGTEK---LINRQDEKYNLELLKDLGLDVKNYLFDI-EAGIKVNEYIESAITLDST-----SIKTKFDKIAPILQTIHTSAKELRGEFA------P----FEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESE-FTSQEEETFLSHYESDQTP-VSHEKIAIYKILQDTIWSLWTVYK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 1183 21295 18.00 83.51 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 18.00 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.251

(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: