Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHIAGKRIWITGASGGLGERIA--YLCAAEG-AHVLLSARREDRLIEIKRKITEEW-SGQCEIFPLDVGRLEDI----ARVRDQIGSIDVLINNAGFGI-FETVLDSTLDDMKAMFDVNVFGLIACTKAVLPQMLEQKKGHIINIASQAGKIATPKSSLYSATKHAVLGYSNALRMELSGTGIYVTTVNPGPIQTDFFSIADKGG-DYAKNVGR--WMLDPDDVAAQITAAIFTKKREINLPRLMNAGTKLYQLFPALVEKLAGRALMKK 3RKU Chain:C ((29-267)) -ERLAKKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTV-------------------------------

General information: TITO was launched using: RESULT: Template: 3RKU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1138 13576 11.93 59.80 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : 11.93 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3RKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RKU-query.scw PDB file : Tito_Scwrl_3RKU.pdb: