Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIQRSGRFERIKKPLKSDMNVVPYIDVMLVLLVIFMVTAPMITSGIKVDLPQANNHPIE--SKDMPAMVTIGKDGNIYL--QYEDYKDNEPLSLEKLESVLSEAQKKAEQENKQLTVLVNGDKTRPYGEVVSLMASLQEAGLTQVGLLTEPLK 5BY4 Chain:A ((5-109)) ----------------------------------------PIITQSVEVDLPDATESQAVSSNDNPPVIVEVSGIGQYTVVVEKDRL---ERLPPEQVVAEV----SSRFKANPKTVFLIGGAKDVPYDEIIKALNLLHSAGVKSVGLMTQP--

General information: TITO was launched using: RESULT: Template: 5BY4.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 : 374 16478 44.06 163.15 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 44.06 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_5BY4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BY4-query.scw PDB file : Tito_Scwrl_5BY4.pdb: