Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERVKVIDSIMGSGKTTY-IIKMMNEA-PKNEHFIFITPYLDEVTRIKRSCTNRKFYEPKIHSEEGETLYKLDSLHKHLADNNDIVTTHALFSMANETTKELIYSGNY-TLILDETMEVVKKLNISKDDLDMLFQNEWIKNNNGTIIWNDEQERNLNREYKGEFQTLKHLAKSKNLILHNESVLFWQFPADIFAQFKQVYNLTYLFDAQIQKYYYDINGIEYELYAVVKDNDSYKLMQHSRQFDKAKKDVLRHKIKIYEGDLNKIGDDYYALSKNWFEKRSVLHKRLKNNILNYYQNILKSKSKGNLWTTFKSHKSKLSGKGYTKGFLACNIKATNEYSHKRSLVYSINRFVNPAIDDYFRSKGIIINEDNFALSEMIQWIWRSAIRNGQDINIYVPSSRMRKLLMDWLENQR 2Z83 Chain:A ((188-293)) --QMTVLDLHPGSGKTRKILPQIIKDAIQQRLRTAVLAPTRVVAAEMAEALRGLPVRYQT-------------------GNEIVDVMCHATLTHRLMSPN----VPNYNLFVMDEAHFT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Z83.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 : 340 -8139 -23.94 -89.43 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -23.94 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_2Z83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Z83-query.scw PDB file : Tito_Scwrl_2Z83.pdb: