Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKKTWKRFLHFSSAALAAGLIFTSAAPAEAAFWGASNELLHDPTMIKEGSSWYALGTGLTEERGLRVLKSSDAKNWTVQKSIFTTPLSWWSNYVPNYGQNQWAPDIQYYNGKYWLYYSVSSFGSNTSAIGLASSTSISSGG----WKDEGLVIRSTSSN-NYNAIDPELTFDKDGNPWLAFGSFWSGIKLTKLDKSTMKPTGSLYSIAAR------PNNGG-ALEAPTLTYQNGYYYLMVSFDKCCDGVNSTYKIAYGRSKSITGPYLDKSGKSMLEGGGTILDSGNDQWKGPGGQDIVNGN---ILVRHAYDANDNGIPKLLINDLNWS-SGWPSY 4KCB Chain:B ((127-438)) ------------------------------------ATNPDVHDPVMAREDGKYYIFMTG----QAVGSMTSDDMKSWTPGRGVMPEIPQWAMEAVPGYRGHTWAPDISEHNGTWYMYYSCSTFGKNGSAIGLMTNKTLNPESPDYKWEDKGMVVRSVQRQTNWNAIDPNLIMDEKGRPWLTWGSFWDGIQLVQLDKDFKTPKGEPKTIARRYLRNQAPDAGANAIEAPFIIREGKYYYLFVSWDYCCKGANSNYKTAVGRSKKIEGPYVDRNGKDMAAGGGEVIAQRDDNYFGIGHSSAYQFDGQWYFMAHGYARANNGASKLVIRKMNFDKDGWP--

General information: TITO was launched using: RESULT: Template: 4KCB.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 : 1631 8802 5.40 31.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 5.40 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_4KCB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KCB-query.scw PDB file : Tito_Scwrl_4KCB.pdb: