Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKASVIIPAYNSKERLYNSLLSLNQQECDE--EFEVIVADNGSED--GTLSMLESFQA-DFPLIFTRIKENRGIAYGRNQALRNA----RGDILIFHDSDMLAAKDLVAKHIKAHENEENLVVCGLFWKRIYSFYYERFEEEHKEQLAKLTGEMPKKDKQKLLEEADIKNGSFLDKSFDLDTDFIDVLKKI--L----DEYGDDLKGYHMPWRFFITNNSSVKRKHVVDLGLFDEGIVRYGFEDYDLGIRLHQAGLTFRLRRDIVSVHQEHPSNCKS----VDDIRANIAYMCDKYNNIRSLDVHLAFNGPFPPDMTNRIMADIQKLLESQKYDMLLNLFLELLHVVKERNIDPDWRKKSPRVTAKSFDLQTVRKLLPKAKKKLGVNDFANALYALVNDLLHVDLRSLDVV 4FIX Chain:A ((180-446)) ANIAVGIPTFNRPADCVNALRELTADPLVDQVIGAVIVPDQGERKVRDHPDFPAAAARLGSRLSI-HDQPNLGGSGGYSRVMYEALKNTDCQQILFMDDDIRLEPDSILRVLAMHRFAKAPMLVGGQMLNLQ-----EPS--HLHIMGE------------VVDR-----SIFMWTAAP----HAEYDHDFAEYPLNDNNSRSKLLHRRIDVDYNGWWTCMIPRQVAEELGQPLPLFI--KWDDADYGLRAAEHGYPTVTLPGAAIWHMAWSDKDDAIDWQAYFHLRNRLVVAAMHWD-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIX.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 : 1338 -106397 -79.52 -429.02 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -79.52 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.296

(partial model without unconserved sides chains): PDB file : Tito_4FIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIX-query.scw PDB file : Tito_Scwrl_4FIX.pdb: