Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MKSRTKNLLSHEDIQRLVKVNFG----EEY-------EHKIGEIKELKGGMFNAIYLIQRVDEKNGIVLK---VGVAPGRDLLTYEQDI---MPTEVACYQLIKEKTSIPIPEILKYDFSKKY---IDSNYFFMEELKGVPLSKASKLMNKPSLDKIKSKLAEYLVQLHKIEGNYF-----------GYFTDEKKYQYDTWKN----------AFLSMFGQLLEDCKFHKVNIPYERIEQALKYNIQFLEEIKKPSLVMFDCHEG----NVFVNKRNGEYEIQGII-------------------------------------DFERAFWGD---PAADFPAAFIMSDDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 4O7O Chain:A ((6-454)) TLATKLPWSDWLSRQRWYAGRNRELATVKPGVVVALRHNLDLVLVDVTYTDGATERYQVLVGWDKAAIGVADDRTG--FDALYDVAGPQFLLSLIVSSAVCGTSTGEVTFTREPDVELPFAAQPRVCDAEQSNTSVIFDRRAILKVFRRVSSGINPDIELNRVLTRAGNPHVARLL---GAYQFGDALAYALGMVTEYEANAAEGWAMATASVRDLFAEGDLYAHEVGGDFAGESYRLGEAVASVHATLADSLGTAQATFPVDRMLARLSSTVAVVPELREYAPTIEQQFQKLAAEAITVQRVHGDLHLGQVLRTPESWLLIDFEGEPGQPLDERRAPDSPLRDVAGVLRSFEYAAYGPLVDQATDKQLAARAREWVERNRAAFCDGYAVAS--GIDPRDSALLLGAYELDKAVYETGYETRHRPGW--------LPIPLRSIARLTA

General information: TITO was launched using: RESULT: Template: 4O7O.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 : 1331 -6989 -5.25 -21.77 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -5.25 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_4O7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4o7o-query.scw PDB file : Tito_Scwrl_4O7O.pdb: