Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLAMNEYNKCCFAKHAEKGKKYYCRGCRKRVILKKGKKKCAHFAHQKSDNCSVFSERESKEHLQLKECFMDWLGQSVEPVFLEAYLPRLRQRPDILLANLAIEIQCSRLSHQRFIERTQNYLNNS--YQVWWILGN-----SFLGQSQFSLIEKSCCYYNRKRGVHCWKADLKKQKLYLYHHITETVSGHISFCSSCWTFSSRDLKEIFTSNEIKMNQMKKIEKVSEDGKKWLTRQLIHKQKNTVSIQEQCYLRHKHLLHLSSWIYQKSRFFFYLQEQVFLYRMLYEEALENQKVPDFNSWLCQIKEHKREWLFPMIDEEMVYQQFFNECIHLSSLKK 2GXA Chain:A ((5-274)) ----TEKFDFGTMVQWAYDHKYAEESKIAYEYALAAGSDSNARAFLATNS----QAKHVKDCATMVRHYLRAETQALSMPAYIKARCKLATGEGSWKSILTFFNYQ--NIELITFINALKLWLKGIPKKNCLAFIGPPNTGKSMLCNSLIHFLGGSVLSFANHKS-HFWLASLADTRAALVDDAT----------HACWRYFDTYLRNALDGYPVSIDR---------------------KHKAAVQI------KAPPLLVTSNIDVQAEDRYLYLHSRVQTFRF-EQPCTDESGEQPFNI------------------TDADWKSFFVRLWGRLDL--

General information: TITO was launched using: RESULT: Template: 2GXA.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 : 1147 -56747 -49.47 -215.77 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -49.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_2GXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GXA-query.scw PDB file : Tito_Scwrl_2GXA.pdb: