Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQKTEPY-DDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPDSQTIAS--PGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ 3BGO Chain:S ((19-262)) ---------------------------------------------------------------------------------------------------------------------------------------------QGYTGSNVKVAVLASGIDSSHPDL--NVAGGASFVPSETNPFQDNNSHGTHVAGTVLAV-----------APSASLYAVKVLGADGSGQASWIINGIEWAIANN-------MDVINMSLG------SPSGSAALKAAVDKAVASGVVVVAAAGNSGTSGSSSTVSYPAKYPSVIAVGAVDSSNQR-------APFSSVGPEL------DVMAPGVSICS--------------TLPGGKYGALSGTAMASPHVAGAAALILSKHPNWTNTQVRSSLENTATKLGDSF--YYGKGLINVE------

General information: TITO was launched using: RESULT: Template: 3BGO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1591 -179109 -112.58 -746.29 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain S : 0.71 3D Compatibility (PKB) : -112.58 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_3BGO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BGO-query.scw PDB file : Tito_Scwrl_3BGO.pdb: