Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSLQHKTALITGGGRGIGRATALALAKEGVNIGLIGRTSANVEKVAEEVKALGVKAAFAAADVKDADQVNQAVAQVKEQLGDIDILINNAGISKFGGFLDLSADEWENIIQVNLMGVYHVTRAVLPEMIERKAGDIINISSTAGQRGAAVTSAYSASKFAVLGLTESLMQEVRKHNIRVSALTPSTVASDMSIELNLTDGNPEKVMQPEDLAEYMVAQLKLDPRIFIKTAGLWSTNP 4BO3 Chain:B ((24-231)) --SLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAG-------------EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVG----AGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTREL------------PEAQREALLGQIPL----------------

General information: TITO was launched using: RESULT: Template: 4BO3.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 : 874 -105766 -121.01 -553.75 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -121.01 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.605

(partial model without unconserved sides chains): PDB file : Tito_4BO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BO3-query.scw PDB file : Tito_Scwrl_4BO3.pdb: