Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKFEGKIALVTGGTSGIGLATAQKFVNEGAYVYITGRRQNELDKAVNQIGKNVTGVQGDISKLEDLDKLYDIIKQEKGKLDILFANAGIGNFLPLGEITEEQVDRTFDINVKGTIFTVQKALSLFPDKVGSIIVTGSTAGSIGNPAFSVYGASKAALRALVRNWILDLKGTEIRVNVVSPGGILTPAYDELFG--DALEEVLENSRNTVPAGKVGTPEEVANAVSFLASDESSYLTGVELFVDGGLAQV 4BMS Chain:F ((1-249)) MYRLLNKTAVITGGNSGIGLATAKRFVAEGAYVFIVGRRRKELEQAAAEIGRNVTAVKADVTKLEDLDRLYAIVREQRGSIDVLFANSGAIEQKTLEEITPEHYDRTFDVNVRGLIFTVQKALPLLRDG-GSVILTSSVAGVLGLQAHDTYSAAKAAVRSLARTWTTELKGRSIRVNAVSPGAIDTPIIENQVSTQEEADELRAKFAAATPLGRVGRPEELAAAVLFLASDDSSYVAGIELFVDGGLTQV

General information: TITO was launched using: RESULT: Template: 4BMS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1363 -131223 -96.27 -531.27 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain F : 0.88 3D Compatibility (PKB) : -96.27 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_4BMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BMS-query.scw PDB file : Tito_Scwrl_4BMS.pdb: