Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELNLKEDWSKKMKTALNRTPASFPVRRMDYNFEDTPRYWCNHEPSLTHYFTGLSTLFPEGESYFV-RSVRALRAKA---KENEILDREIGAFIGQEAMHSKEHHAFHVSAQ-QYGLNP----ES--LEKATGIVLKAIEKV-FSKKWNLLVTVGLEHYTAVLVVSMMQSV--NELMTENTIRNLWLWHSVEETEHKAVAYDLYQHLYGNGLDAYIPRVGIFTFSLVLITAFSTIYHIVLMKRDKQLTNFKTWRNFFKFASKQYKVLIPKFLEYYRFDFHPNQTDEKALVAATKVKLGINDRSLLLS 2JCD Chain:A ((101-251)) ----------------------------------------------------GYNERVIATEQLIAEPAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELRKISERPPQPELVTYRRLRRVLADMPEQWERDIAVLVWGAVAETCI----NALLALLARDA-TIQPMHSLITTLHLRDETAHGSIVVEVVRELY---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JCD.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 : 425 -15268 -35.92 -111.45 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -35.92 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_2JCD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JCD-query.scw PDB file : Tito_Scwrl_2JCD.pdb: