Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------MARDLIG----PALPPGFKARGTAEDEERDPSPVA-GPAL-----PPNYKSSSSDSSDSDEDSSSLYEEGNQESEEDDSGPTARKQRKNQDDDDDDDDGFFGPALPPGFKKQDDSPPRPIIGPALPPGFIKSTQKSDKGRDDPGQQETDSSEDEDIIGP---MPAKGPVN--YNVTTEFEKRAQRMKEKLTKGDDDSSKPIVRE--------SWMTELPPEMKDFGLGPRTFKRRADDTSGDRSIWTD--TPADRERKAKETQEARKSSSKKD----------EEHILSGRDKRLAE-----QVSSYNESKR--SESLMDIHHKK--LKSKAAEDKNKPQERIP------------------FDRDKDLKVNRFDEAQ---KKALIKKSRELNTRFSHGKGNMFL---- 5DBJ Chain:D ((5-441)) SDHDYDVVIIGGGPAGSTMASYLAKAGVKCAVFEKELFEREHVGESLVPATTPVLLEIGVMEKIEKANFPKKFGAAWTSADSGPEDKMGFQGLDHDFRSAEILFNERKQEGVDRDFTFHV--------DRGKFDRILLEHAGSLGAKVFQGVEIADVEFLS-PGNVIVNAKLGKRSVEIKAKMVVDASGRNVLLGRRLGLREKDPVFNQFAIHSWFDN----FDRKSATQSPDKVDYIFIHFLPMTNTWVWQIPITETITSVGVVTQKQNYTNSDLTYEEFFWEAVKTRENLHDALKASEQVRPFKKEADYSYGMKEVCGDSFVLIGDAARFVDPIFSSGVSVALNSARIASGDIIEAVKNNDFSKSSFTHYEGMIRNGIKNWYEFITLYYRLNILFTAFVQDPRYRLDILQLLQGDVYLEVLDKMREIIAAVESDPEHLWHKYLG

General information: TITO was launched using: RESULT: Template: 5DBJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1788 174511 97.60 533.67 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 97.60 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.111

(partial model without unconserved sides chains): PDB file : Tito_5DBJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5dbj-query.scw PDB file : Tito_Scwrl_5DBJ.pdb: