Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVYIGNGHYCYSNSTAMFLSSIGENVSPQLVEILTGVGLGAMIEYEKNLYFSMRDPDDGINYALNILGFTAEEHQQASDLDDPFPLLKQQIKQNPVILGPLDMGELTYHPNHKNLNGSDHYVLGYQMDNENIYVQDPAG-FPFVPLSLDQFKKAWMAERIPYRKGINKYWSTAKKVVTLDNNEIYERAIDYFKRTYRKFEKVDIGLIGREAICFYADQLLNAPITADTIRHTTFFLFQLSARRANDYAMYFKDRHSHLSVLKTEQAKVFGICHSMSVNKDWKGISEKLMKLADLEDNFRLELLKVGY 3K8U Chain:A ((13-132)) ------DTRDCGPAVLASVAKHYGSNYSIAYL-R---ELSKT--N-------KQGTTALGIVEAAKKLGFETRSIKAD--M----TLF-DYNDLTYPFIVHVIKG-----------KRLQHYYVVYGSQNNQLIIGDPDPSVKVTRMSKERFQSEWT-------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K8U.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 : 513 -48938 -95.39 -411.24 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -95.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3K8U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K8U-query.scw PDB file : Tito_Scwrl_3K8U.pdb: