Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKFEGKIALVTGGTSGIGLATAQKFVNEGAYVYITGRRQNELDKAVNQIGKNVTGVQGDISKLEDLDKLYDIIKQEKGKLDILFANAGIGNFLPLGEITEEQVDRTFDINVKGTIFTVQKALSLFPDKVGSIIVTGSTAGSIGNPAFSVYGASKAALRALVRNWILDLKGTEIRVNVVSPGGILTPAYDELFG--DALEEVLENSRNTVPAGKVGTPEEVANAVSFLASDESSYLTGVELFVDGGLAQV 4BMS Chain:E ((2-249)) -YRLLNKTAVITGGNSGIGLATAKRFVAEGAYVFIVGRRRKELEQAAAEIGRNVTAVKADVTKLEDLDRLYAIVREQRGSIDVLFANSGAIEQKTLEEITPEHYDRTFDVNVRGLIFTVQKALPLLRDG-GSVILTSSVAGVLGLQAHDTYSAAKAAVRSLARTWTTELKGRSIRVNAVSPGAIDTPIIEN-VSTQEEADELRAKFAAATPLGRVGRPEELAAAVLFLASDDSSYVAGIELFVDGGLTQV

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 E - contact count / total energy / energy per contact / energy per residue : 1357 -129675 -95.56 -529.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.88 3D Compatibility (PKB) : -95.56 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.593

(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: