Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGKWFSLAAALSVTAIVGAGCSMSNGDAQKDTKTTAETKQTEQKTADSKKSNTQNSEFSLESQYFNDIKKVDGLETIQNPENILALVNKQYALPGNYEPSDLVIPDVEF---SFEEKIQKRYIRKEAADALKTMFDAAKKEGYELAAVSGYRSYDRQKVIFDNEV---------SLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFELNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKKI 5HNM Chain:B ((20-193)) --------------------------------------------------------------------------------------LILVNRQNPIPAQY--------DVELEQLSNGERIDIR-----ISPYLQDLFDAARADGVYPIVASGYRTTEKQQEIMDEKVAEYKAKGYTSAQAKAAAETWVAVPGTSEHQLGLAVDINADGIHSTGNEVY------RWLDENSYRFGFIRRYPPDKTEITGVSNEPWHYRYVGIEAATKIYHQGLCLEEYL------

General information: TITO was launched using: RESULT: Template: 5HNM.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 : 684 39261 57.40 242.35 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 57.40 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_5HNM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HNM-query.scw PDB file : Tito_Scwrl_5HNM.pdb: