Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MIQWWQILLLTLYS----------------AYQICDELT---IVSSAGSPVFAGFIT----GLIMGDVTTGLLIGGNLQLFVLGVGTF-------------GGASRIDATSGAVLATAFSVSQGID--APLAITTIAVPVAALLTYFDVLGRM----------TTTFFAHRVDAAIERFDYK-----------------GIERNYLLGAIPWALSRAL-PVFFALAFGGAFVQSV-----------VDFVEAYKWVADGLTLAGRMLPGLGFAILLRYLPVKRNL---HYLAMGFGLTAMLTVLYSYVTGLGGAVAGIVGTLPAEVAQK------IGFVNNFKGLSMIGISI-------VGIFLAVLHFKNSQKVAVAAPSTPSESGEIEDDEF 1OCK Chain:A ((1-412)) MISLADLQRRIETGELSPNAAIAQSHAAIEAREKEVHAFVRHDKSARAQASGPLRGIAVGIKDIIDTANMPTEMGSEIYRGWQPRSDAPVVMMLKRAGATIIGKTTTTAFASRDPTATLNPHNTGHSPGGSS--SGSAAAVGAGMIPLALGTQTGGSVIRPAAYCGTAAIKPSFRMLPTVGVKCYSWALDTVGLFGARAEDLARGLLAMTGRSEFSGIVPAKAPRIGVVRQEFAGAVEPAAEQGLQAAIKAAERAGASVQAIDLPEAVHEAWRIHPIIQDFEAHRALAWEFSEHHDEIAPMLRASLDATVGLTPKEYDEARRIGRRGRRELGEVFEGVDVLLTYSAPGTAPAKALASTGDPRYNRLWTLMGNPCVNVPVLKVGGLPIGVQVIARFGNDAHALATAWFLEDALAK-------

General information: TITO was launched using: RESULT: Template: 1OCK.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 : 1577 -81970 -51.98 -280.72 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -51.98 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_1OCK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OCK-query.scw PDB file : Tito_Scwrl_1OCK.pdb: