Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTLNNISKSYKLGKEEVPILKHINLTVQAGEFLAIMGPSGSGKSTLMNIIGCLDRPTSGTYTLDQIDILKGKDGALAEIRNESIGFVFQTFHLLPRLTALQNVELPMIYNKVKKKERRQRAYEALEKVGLKDRVSYKPPKLSGGQKQRVAIARALVNQPRFILADEPTGALDTKSSEQILALFSELHRE-GKTIIMITHDPDVAKK-ADRTVFIRDGELVLDERGDISHA 3TUI Chain:G ((24-243)) MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQ-IGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELI----------

General information: TITO was launched using: RESULT: Template: 3TUI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1118 -133382 -119.30 -611.84 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain G : 0.83 3D Compatibility (PKB) : -119.30 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: