Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHPKIPILKLYNCLLVSIQWELDDQTALTFQEDLLNKIYETGANGVVIDLTSVDMIDSFIAKVLGDVITMSKLMGAKVVLTGIQPAVAVTLIELGIALEEIETALDLEQGLETLKRELGE 2KA5 Chain:A ((18-124)) ---------IVDDVVILMPNKELNIENAHLFKKWVFDEFLNKGYNKIFLVLSDVESIDSFSLGVIVNILKSISSSGGFFALVSPNEKVERVLSLTNLDR-IVKIYDTISEAMEEVRR----

General information: TITO was launched using: RESULT: Template: 2KA5.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 : 440 -104631 -237.80 -977.86 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -237.80 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.635

(partial model without unconserved sides chains): PDB file : Tito_2KA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KA5-query.scw PDB file : Tito_Scwrl_2KA5.pdb: