Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MSVIQVKGNV----TYPITIDPSVWIFDDRKFSFDRKGDSQDTYLQSAGDESDLDPERVIREGRIAPPTLKTEKQYE-------KQKLMNGSFAMRLGTVLKNAEPNSSATQCVFVTSSGKAAVSLETALNSIVHFSEAGKPIQEGGPVHIYFEDPVH-----------HKQPITDVKEIEII--- 2DCH Chain:X ((10-216)) HSSGLVPRGSHMKVWDYLCGLIAADGHLDEEGYITILQKDRRFIDKIVALLKSAEIKISSLFYDKGAGVWKIKVKDERLYRYLVNNGVIPGKVLRPPSSAVDPLWYIIGFIDGDGWVEQVVKRAGDKSYYYIRIGIKTKSKELRDWIAQTLNDLGIRASRADKSDGYEVHIDGVEAWRLVPHLQNPTHLERAQSVKDNRLSLLF

General information: TITO was launched using: RESULT: Template: 2DCH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 684 -61264 -89.57 -380.52 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain X : 0.60 3D Compatibility (PKB) : -89.57 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.113

(partial model without unconserved sides chains): PDB file : Tito_2DCH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DCH-query.scw PDB file : Tito_Scwrl_2DCH.pdb: