Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDPQNIAN----------LPSQPTENRVLKANHKTPAA----RYNIKVLRALQHTLKGSPEADLA-SLLP------------STYSKKLQSFKD-SAVHPSTSATGSFDSKPSFLDNDVRSRIDAADQSMTLVQLSSELNGLLQPHKDLSTGLVNLLANSEVLYESAWAASIMVFRVSENLVVKVTVDE---RSTLNEHRSLAY---LQQHQHRF------PAPRPHGVVRL----GQFCLLFTSFIPGITLEKAWSRFDNMEKTAISNQLDTLVATLRLIPFPENTTL-GGVLGGGCKDAR-RGIRLNSEPIFN--------VKQFEDFIFA------GSETASPLYTNLLRSLMPSLPATCVFSHGDLRPA--NIMVCQREDGSWRIVGIIDWESSGFYPEYWDCVKATNNLTPR----EQVDW---------YSFLPDQISPHRYPTQWLV-----------DRLW---DRSMVNG------------------------------------------------------------------ 5K5S Chain:A ((20-598)) YGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIPSTIAVVGATGSGVSTAVANLLGL----FYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQA-TAMADIIEYFR--WNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSS---GPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHPLCTGDENINSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKK----VEAWQVLKHLRHLQFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSC

General information: TITO was launched using: RESULT: Template: 5K5S.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 : 2089 64059 30.66 170.37 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 30.66 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_5K5S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5k5s-query.scw PDB file : Tito_Scwrl_5K5S.pdb: