Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADRYVLIEVNEDGEGRLKDEAVTWIDFRLSIVDFNASEGLNQLMEQISKDVKDELVLVLFNYRVKSSYDSWSGATEYEDFFDVEFFKVIKKNYKKFYQGLVTVELDVGINGFDNIESMPTDSNQNYYRNLIAEWEEFYNEDFIPLSLNKR 2AYA Chain:A ((1-128)) --MKALEHEKTPELAAKLAAEAIERDPWAAQVSQLSLPKLVEQVALNAWKEESDNAVCLHLR-------------SSQRHLNNRGAQQKLAEALSMLKGSTVELTIVEDDNPAVR---TPLEWRQAIYEEKLAQARESIIADNNIQ-----

General information: TITO was launched using: RESULT: Template: 2AYA.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 : 441 -34668 -78.61 -270.84 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -78.61 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_2AYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AYA-query.scw PDB file : Tito_Scwrl_2AYA.pdb: