Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIVEQIMKRDVITLTKTDTLETAICKLKEFHIRHLPVVDEERHVIGMITDRDMKQASPSIFEENKRSLFLTRSVDSIMKKDVVCAHPLDFVEEISAVFYEHGIGCLPVVHHQKLIGILTKTDLLRTFVKLTGADQPGSQIEIKVNDITKSLAEISSLCQDLQVKILSVLVYPHDDPGVKVLVFRVKTMNPLPFLQALQRNGHHVVWPSEQRDLL 2O16 Chain:A ((6-137)) -KVEDMMTRHPHTLLRTHTLNDAKHLMEALDIRHVPIVDANKKLLGIVSQRDLLAAQESSLQ-------FETPLFEVMHTDVTSVAPQAGLKESAIYMQKHKIGCLPVVAKDVLVGIITDSDFVTIAINLL-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2O16.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 : 513 -88876 -173.25 -722.57 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -173.25 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_2O16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O16-query.scw PDB file : Tito_Scwrl_2O16.pdb: