Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHSFAVPRSVEWKETAITILNQQKLPDETEYLELTTKEDVFDAIVTLKVRGAPAIGITAAFGLAL----AAKDIETDNVTEFRRRLEDIKQYLNSSRPTAINLSWALERLSHSVENAISVNEAKTNLVHEAIQIQVEDE-----ETCRLIGQ-NALQLFKK----GDRI--MTICNAGSIATSRYGTALAPFYLAKQKDLGL--HIYACETRPVLQGSRLTAWELMQGGIDVTLITDSMAAHTMKEKQISAVIVGADRIAKNGDTANKIGTYGLAILANAFDIPFFVAAPLSTFDTKVKCGADIPIEERDPEEVRQISGVRTAPSNVPVFNPAFDITPHDLIS-GIITEKGIMTGNYEEEIEQLFKGEKVH 4LDR Chain:A ((5-344)) ---------AIRYSRGSLQILDQLLLPKQSRYEAVGSVHQAWEAIRAMKVRGAPAIALVGCLSLAVELQAGAGGPGLAALVAFVR---DKLSFLVTARPTAVNMARAARDLADVAAREAEREGATEEAVRERVICCTEDMLEKDLRDNRSIGDLGARHLLERVAPSGGKVTVLTHCNTGALATAGYGTALG--VIRSLHSLGRLEHAFCTETRPYNQGARLTAFELVYEQIPATLITDSMVAAAMAHRGVSAVVVGADRVVANGDTANKVGTYQLAIVAKHHGIPFYVAAPSYSCDLRLETGKEIIIEERPGQELTDVNGVRIAAPGIGVWNPAFDVTPHDLITGGIITELGVF------------------

General information: TITO was launched using: RESULT: Template: 4LDR.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 : 1737 -169540 -97.60 -528.16 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -97.60 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4LDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LDR-query.scw PDB file : Tito_Scwrl_4LDR.pdb: