Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMMGMENIQQNQGLKQKDEQFVWHAMKGAHQADSLIAQKAEGAWVTDTDGRRYLDAMSGLWCVNIGYGRKELAEAAYEQLKELPYYP--LTQSHAPAIQLAEKLNEWLGGDYV-IFFSNSGSEANETAFKIARQYHLQNGDHSRYKFISRYRAYHGNTLGALSATGQAQRKYKYEPLSQGFLHAAPPDIYRNPDDADT----LESANEIDRIMTWELSET-IAGVIMEPIITGGGILMPPDGYMKKVEDICRRHGALLICDEVICGFGRTGEPFGFMHYGVKPDIITMAKGITSAYLPLSATAVKRDIFEAYQGEAPYDRFRHVNTFGGSPAACALALKNLQIMEDEQLIQRSRDLGAKLLGE-LQALREHPAVGDVRGKGLLIGIELVKDKLTKEPADAAKVNQVVAACKEK----GLIIGKNGDTVAGYNNVIQLAPPFCLTEEDLSFIVKTVKESFQTI 3HMU Chain:A ((40-449)) ------------------------------------VITRARGVWLNDSEGEEILDAMAGLWCVNIGYGRDELAEVAARQMRELPYYNTFFKTTHVPAIALAQKLAELAPGDLNHVFFAGGGSEANDTNIRMVRTYWQNKGQPEKTVIISRKNAYHGSTV-ASSALGGMAGMHAQSGLIPDVHHINQPNWWAEGGDMDPEEFGLARARELEEAIL-ELGENRVAAFIAEPVQGAGGVIVAPDSYWPEIQRICDKYDILLIADEVICGFGRTGNWFGTQTMGIRPHIMTIAKGLSSGYAPIGGSIVCDEVAHVIG----KDEFNHGYTYSGHPVAAAVALENLRILEEENILDHVRNVAAPYLKEKWEALTDHPLVGEAKIVGMMASIALTPNKASRAKF-ASEPGTIGYICRERCFANNLIMRHVGDRMI-------ISPPLVITPAEIDEMFVRIRKSL---

General information: TITO was launched using: RESULT: Template: 3HMU.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 : 2342 -236864 -101.14 -596.63 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -101.14 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_3HMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HMU-query.scw PDB file : Tito_Scwrl_3HMU.pdb: