Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSLQHKTALITGGGRGIGRATALALAKEGVNIGLIGRTSANVEKVAEEVKALGVKAAFAAADVKDADQVNQAVAQVKEQLGDIDILINNAGISKFGGFLDLSADEWENIIQVNLMGVYHVTRAVLPEMIERKAGDIINISSTAGQRGAAVTSAYSASKFAVLGLTESLMQEVRKHNIRVSALTPSTVASDMSIELNLTDGNPEKVMQPEDLAEYMVAQLKLDPRIFIKTAGLWSTNP 4BO8 Chain:D ((24-231)) --SLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGI-------RMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTREL------------PEAQREALLGQIPL----------------

General information: TITO was launched using: RESULT: Template: 4BO8.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 : 956 -106940 -111.86 -532.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -111.86 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4BO8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BO8-query.scw PDB file : Tito_Scwrl_4BO8.pdb: