Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILLPLSITKLSKKEANRKFEEVAKELGIYELRDKYPNEISGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHD-PVAASYCGRVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH 3TUZ Chain:C ((24-245)) --MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQ-IGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQ-----------------------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1151 -140626 -122.18 -636.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -122.18 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: