Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKALICIDYTNDFVASDGKLTCGEPGRMIEEAIVNLTKEFITNGDYVVLAVDSHDEGDQYHPETRLFPPHNIKGTEGKDLYGKLLPLYQKHEHEPNVYYMEKTRYSAFAGTDLELKLRERQIGELHLAGVCTDICVLHTAVDAYNKGFRIVVHKQAVASFNQEGHAWALSHFANSIGAQVAE 3O94 Chain:D ((21-203)) MTKALISIDYTEDFVADSGKLTAGAPAQAISDAISKVTRLAFERGDYIFFTIDAHEENDCFHPESKLFPPHNLIGTSGRNLYGDLGIFYQEHGSDSRVFWMDKRHYSAFSGTDLDIRLRERRVSTVILTGVLTDISVLHTAIDAYNLGYDIEIVKPAVASIWPENHQFALGHFKNTLGAKLVD

General information: TITO was launched using: RESULT: Template: 3O94.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1012 -124784 -123.30 -681.88 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.89 3D Compatibility (PKB) : -123.30 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3O94.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O94-query.scw PDB file : Tito_Scwrl_3O94.pdb: