Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKNKKLFEYLSQHAETISSTWYETIEETDPNSIYASTDPVVIHNLKSQNLAFNYKINRIFIDDEDVYLPILKEWAFEVTQDQEHLKTPIHYIIREFVRVRDLYVSYVKEFVHLNQNTVKSEEAEDLYHALIKAFDLVIHIFIEEMYKNTSLQLQAQKDMITELSAPVIVLFHSVGLLPLIGDIDTVRAKLIMENTLHQCAKKKVTQLYIDLSGVAVIDTMVAHQLFSLIEALRLIGVSSTLSGIRPEIAQTAVQLGLSFEGISLRSTLASAIASDLKLKKV 2KA5 Chain:A ((13-124)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------MFPYKIVDDVVILMPNKELNIENAHLFKKWVFDEFLNKGYNKIFLVLSDVESIDSFSLGVIVNILKSISSSGGFFALVSPNEKVERVLSLTNLDR-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 : 479 -104988 -219.18 -937.39 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -219.18 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.459

(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: