Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELNLKEDWSKKMKTALNRTPASFPVRRMDYNFEDTPRYWCNHEPSLTHYFTGLSTLFPEGESYFV-RSVRALRAK---AKENEILDREIGAFIGQEAMHSKEHHAFHVSAQ-QYGLNP-ES-----LEKATGIVLKAIEK-VFSKKWNLLVTVGLEHYTAVLVVSMMQSV--NELMTENTIRNLWLWHSVEETEHKAVAYDLYQHLYGNGLDAYIPRVGIFTFSLVLITAFSTIYHIVLMKRDKQLTNFKTWRNFFKFASKQYKVLIPKFLEYYRFDFHPNQTDEKALVAATKVKLGINDRSLLLS 3CHH Chain:B ((92-250)) ----------------------------------------------------GYNERVIATEQLIAEPAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELRKISERPPQPELVTYRRLRRVLADMPEQWERDIAVLVWGAVAETCI----NALLALLARDA-TIQPMHSLITTLHLRDETAHGSIVVEVVRELY---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CHH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 405 -15587 -38.49 -113.77 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -38.49 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_3CHH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CHH-query.scw PDB file : Tito_Scwrl_3CHH.pdb: