Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKRPEDTRVVVGMSGGVDSSVAALLLKEQGYDVIGIFMKNWDDTDENGFCTATEDYEDVIRVCNQIGIPYYAVNFEKQYYEKVFQYFLDEYKAGRTPNPDVLCNKEIKFKAFLEHALSLGADYLATGHYARVDRSGGKVRMLRGIDENKD-QTYFLNQLTEDTLSKVMFPIGELQKSRVREIAKEAELATATKKDSTGICFIGERNFKTFLSQYLPAQPGDMMTM--DGEVKGRHDGLMYYTIGQRHGLGIGGSGEPWFAVGKDLEKNILYVDQGFHNPLLYSDKITATNISWVRSDIMKGEEISCTAKFRYRQEDHKVTVRMTGEGEAEVIFDEQVRAVTPGQAVVFYDGEECLGGGTIDDVYKDGTKLWYV 3VRH Chain:A ((45-261)) ----TKDERILVAVSGGKDSAVTAYVLKKLGYNIECLHINLGISGY------SEKSEEYAKKQCKLIGAPLHIVRIKEILGYG-----IGEVK--TRRPPCSYCGLT-KRYIMNKFAYDNGFDAIATGHNLDDEASFLLNNILHWNTEYLAKGGPILP--QQGKFIKKVKPLYEVTEREVVAYALAVGLEYIVEECPY----T-TLDMKGVLNELEEKRPGTKFNFVRGYL-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VRH.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 : 944 -48654 -51.54 -239.67 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -51.54 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_3VRH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VRH-query.scw PDB file : Tito_Scwrl_3VRH.pdb: