Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI 1VMA Chain:B ((13-305)) ---------------------------------------------------------------------------------------------------------------------MGLFDFLKKGLQKTKETFFGRVVKLLKGK-KLDDETREELEELLIQADVGVETTEYILERLEEKDGD----ALESLKEIILEIL----NFDTKLN---VPPEPPFVIMVVGVNGTGKTTSCGKLAKMFVDEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQAKIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEKAEDLRPFDPEAFVEVLLS---

General information: TITO was launched using: RESULT: Template: 1VMA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1685 -205710 -122.08 -702.08 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -122.08 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_1VMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VMA-query.scw PDB file : Tito_Scwrl_1VMA.pdb: