Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYVTVKMLEGRTDEQKRNLVEKVTEAVKETTGASEEKIVVFIEEMRKDHYAVAGKRLSDME 2X4K Chain:B ((3-62)) MPIVNVKLLEGRSDEQLKNLVSEVTDAVEKTTGANRQAIHVVIEEMKPNHYGVAGVRKSD--

General information: TITO was launched using: RESULT: Template: 2X4K.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 : 137 -19135 -139.67 -318.91 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -139.67 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.753

(partial model without unconserved sides chains): PDB file : Tito_2X4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X4K-query.scw PDB file : Tito_Scwrl_2X4K.pdb: