Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDITSDLKELNI--SYDKINVVRQGENSDTFLITTSKKKLIAKKFKNLNFKTITNTYLNKKILNQLVDKKLFPKVVYQSEEKDFLIYEYVESI-KSNKDK-----LFYKNLGMKIREIHEIKPCKN-NLTFEQQLNFYKMSLGK-----VN-KEKVYTRIEDLLNDINIKKSKLVFSHNDLNANNILFNK-DICIIDYEYSSLNNKFCDLSKVIFEFQMTEEEIESLLKGYRINFD-DVTKKKIILWQRFNLYLDYIWSIIISSNENQLTKENIESFYLNKYIDFDLKN 3DXQ Chain:B ((6-264)) ---ARAKLAAIPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIP---------NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAND-----------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1074 39139 36.44 167.26 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 36.44 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: