Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGAR-DGHDFIETAFENGAAVTLSEKEVSNH-PYILVDDVLTAFQSLASYYLEKTT-VDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAP-ADPIVEDYLPIDK--KVVRFGQGAELEITDLVERKDSLTFKANFLEQA--LDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK 4QDI Chain:A ((41-408)) -----------------------TEIKRILTDSRHAESGDAFLALKGERFDAHNFVAQVVANGCQVAIVERPIDAEIAQLVVADTRLALGQLGAYRREQNAQLKVIALTGSSGKTTTKEMLGSILSRLAPTLITRGNLNNDLGVPMMLLELRKEHQYAVMELGANHQGEIDYTSKIVQPHVAGILNIGTAHLGEFGGRDGICRAKSEIYRHILPQGVAIVPQQDDFTAEIREAAKSHQIMSFGEGGDVFATEIELLPQSANFQLHTPQGSSFVRLPFAGEHNVQNATAAVAFALALGVSLEDIVKGLEQAQGAKGRLNFIQKAPHL-FIDDTYNANPTSMRAAAQVL----LQQNGIKVMVMGDIGELGDSSWQEHHDLGRDLAELPLDHIVAVGQ---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QDI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1928 19498 10.11 54.16 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 10.11 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4QDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QDI-query.scw PDB file : Tito_Scwrl_4QDI.pdb: