Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILIAEHYEELCKLSAAIIKEQIQAKKDAVLGLATGSTPVGLYKQLISDYQAGEIDFSKVTTFNLDEYAGLSPSHPQSYNHFMHEHLFQHINMQPDHIHIPQGDNPQLEAACKVYEDLIRQAGGIDVQILGIGANGHIGFNEPGSDFEDRTRVVKLSESTIQANARFFGGDPVL--VPRLAISMGIKTIMEFSKHIVLLASGEEKADAIQKMAEGPVTTDVPASILQKHNHVTVIADYKAAQKLKSASFS 2BKV Chain:B ((1-238)) MKVMECQTYEELSQIAARITADTIKEKPDAVLGLATGGTPEGTYRQLIRLHQTENLSFQNITTVNLDEYAGLSSDDPNSYHFYMNDRFFQHIDSKPSRHFIPNGNADDLEAECRRYEQLVDSLGDTDIQLLGIGRNGHIGFNEPGTSFKSRTHVVTLNEQTRQANARYF---PSIDSVPKKALTMGIQTILS-SKRILLLISGKSKAEAVRKLLEGNISEDFPASALHLHSDVTVLIDREAA---------

General information: TITO was launched using: RESULT: Template: 2BKV.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 : 1343 -134372 -100.05 -569.37 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -100.05 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_2BKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BKV-query.scw PDB file : Tito_Scwrl_2BKV.pdb: