Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEQKWWKEAVGYQIYPASFKDSNGDGQGDINGIREKLNYLKDLGIGFIWINPIYQSPFVDNGYDVSDYQDIEERFGTMEDFDLLLKEAHELGIKVIMDLVINHSSDQHQWFEESKKSKESPYRDYYIWVDGVDGKEPNNWTSIFGGSAWEYSHETGQYYLHVFAKEQPDLNWESEKLKEELFNMIRWWLDKGIDGFRLDAISHVKKDEYSVKATENPF----SPFQNVSGIEEHLTDLKHVF-EEYDIMTVGEASGVTAEEGPQWVGK-DGYFDMIFEFDHIHIW--QQEKEG--QLDVLKLKLALSAWQTSLDGIGWNALYMENHDVPRAVSVFGDTRPDFWAMSAKAIAMMYFFLQGTPFIYQGQEIGMTNMPFESIDQVDAVDSKRLYKRLLAEG-KTREEALDIIRETTRDNSRTPMQWTSEQYAGFSTHEPWLITNPNTKTINVEQQEYEPESVLQFYKNMIRIRQTNKGLIYGSYKEYLHEHPQLYVYERYLEDEQYLIMVNLTESLADYELPKEADQSWTLLLSNSSS---GEFEAKGILAPYEARLYKTNK 2PWE Chain:A ((1-555)) --PGAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWINPHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVINHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEKDPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFDTVATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTAGQIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALD-RWHTIPRTLADFRQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALATVTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATAEELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAREIGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGETYLVVVNFKAEPRSFTLPDGM-HIAETLIESSSPAAPAAGAASLELQPWQSGIYKV--

General information: TITO was launched using: RESULT: Template: 2PWE.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 : 3091 14189 4.59 26.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 4.59 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2PWE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PWE-query.scw PDB file : Tito_Scwrl_2PWE.pdb: