Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKRPEDTRVVVGMSGGVDSSVAALLLKEQGYDVIGIFMKNWDDTDENGFCTATEDYEDVIRVCNQIGIPYYAVNFEKQYYEKVFQYFLDEYKAGRTPNPDVLCNKEIKFKAFLEHALSLGADYLATGHYARVDRSGGKVRMLRGIDENKDQTYFLNQLTEDTLSKVMFPIGELQKSRVREIAKEAELATATKKDSTGICFIGERNFKTFLSQYLPAQPGDMMTMDGEVKGRHDGLMYYTIGQRHGLGIGGSGEPWFAVGKDLEKNILYVDQGFHNPLLYSDKITATNISWVRSDIMKGEEISCTAKFRYRQEDHKVTVRMTGEGEAEVIFDEQVRAVTPGQAVVFYDGEECLGGGTIDDVYKDGTKLWYV 3P52 Chain:A ((22-106)) --KNSQSQGVVLGLSGGIDSALVATLCKRALKENVFALLMPTQISNK-------ANLEDALRLCADLNLEYKIIEIQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3P52.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 222 -40646 -183.09 -597.74 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -183.09 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_3P52.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P52-query.scw PDB file : Tito_Scwrl_3P52.pdb: