Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILLPLSITKLSKKEANRKFEEVAKELGIYELRDKYPNEISGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHDP-VAASYCGRVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH 3TUJ Chain:C ((2-222)) ---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQ-IGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQ-----------------------------

General information: TITO was launched using: RESULT: Template: 3TUJ.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 : 1105 -134829 -122.02 -612.86 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -122.02 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3TUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUJ-query.scw PDB file : Tito_Scwrl_3TUJ.pdb: