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

General information: TITO was launched using: RESULT: Template: 4BNX.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 : 930 -108022 -116.15 -540.11 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -116.15 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_4BNX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BNX-query.scw PDB file : Tito_Scwrl_4BNX.pdb: