Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFTTEIVQTLVTKGDLNELFRSHLEKAINTLLRTELTAFLDYEKYDRTGFNSGNSRNGSYFRSIKTEYGELTLEIPRDRNGEFKQQTLP--AYKRTNDTLET-TIIHLFEKGVTMSEIADLIEKMYGHHYTPQTMSNMTKVLTEEVNAFKSRALNDKYVAIFMDATYIPLKRQTVSKEAIYIAIGIREDGTKEVLSYAIAPTESTYVWNELLQDINSRGVQEVLLFITDGLKGMKDTIHQILS 4YSC Chain:A ((157-228)) ------------------------------------------------REGLHDGKGKALTYDKIYYV--GEQDFYVPRDENGKYKKYEAPGDAYEDTVKVMRTLTPTHVVFNGAVGALTGD---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YSC.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 : 130 4715 36.27 68.33 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 36.27 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.298

(partial model without unconserved sides chains): PDB file : Tito_4YSC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YSC-query.scw PDB file : Tito_Scwrl_4YSC.pdb: