Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFLNKRFWKYRGKRIRPYMRNNVKLAGAIIFVPVFLLSMFLFWREQLIHFDLSQVIKNFEWNVPLIIKSVLCSVLIAVGSIVASYFLLFDSYKKILHRQKIAKMIFSNKFYEKENVKVRKIFSNETDSKEKITYFPRMYYQVKNNHIYIRIAMDMSRFQNRFLDLGKDLENGLFCDLVDKQ---MEEGFVCFKLLYDVKKNRISIDDAVA--------ENGVLPLM-----KHISWQFDKLPHMLIAGGTGGGKTYFMLTIIKACVGL----GADVRILDPKNADLADLEEVLP--KKVYSQKNGILMCLRKSVDGMMERMDEMKQMSNYKTGENYA---------------------YLGLKPVFIFFDEYVAFMDLLDMKERNEALSYMKQLVMLGRQAGYFLVLGAQRPDAKYLADGIRDQFSFRVSLGLMSDTGYGMMFGDVEKAYVNKKETGRGYANVGT-GSVLEFYSPIVPKGYDFMSSIKNALVGVEGAQATAVASGSVSDQTASGEGVSEANG 2IUS Chain:A ((890-1238)) ---------------------------------------------------------------------------------------------------------------------------------------------------ITRFELNLAPGVKAARISNLSRDLARSLSTVAVRVVEVIPGKPYVGLELPNK-KRQTVYLREVLDNAKFRDNPSPLTVVLGKDIAGEPVVADLAKMPHLLVAGTTGSGASVGVNAMILSMLYKAQPEDVRFIMIDPKMLELSVYEGIPHLLTEVVTDMKDAANALRWCVNEMERRYKLMSAL-GVRNLAGYNEKIAEADRMMRPIPDPYWHPVLKKEPYIVVLVDEFADLMMTV----GKKVEELIARLAQKARAAGIHLVLATQRPSVDVITGLIKANIPTRIAFTVSSKIDSRTILDQAGA--ESLLGMGDMLYSGPNSTLPVRVHGAFVRD-----QEVHAVVQDWKARG------------------------

General information: TITO was launched using: RESULT: Template: 2IUS.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 : 1610 -214891 -133.47 -725.98 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -133.47 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_2IUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IUS-query.scw PDB file : Tito_Scwrl_2IUS.pdb: