Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTKMAAADFEFGPPLGTGAFSKVVVGLYKPTNVRYAVKFISKRSILDAPTDEERTRMAEVARRETRMLLMCEHPNIVKFHASMQTTEDLLYVTELCEGGELLKHIERWGHIPLEAARHAIAELFSAVFYLHHGEKKSNSGPSGPAMKPLTVIHRDIKPENIMLSADKHLRLIDFGTAVVCQSADDKATGEETGSGRAQTFCGTTYYMSPELLESSYTCCASDYWGCGCVLYLMLVGQRPFDASTQYLLIKTILEKEPEFPEDMDPDAKDLIRKLLVKDPKARIGMKE------IKRHPFLASVNLSTVANQDVADFWLRETPWVDEASISACMACQRPFGILRSKQFCHNCGRITCNSCIRDLRIIPESRWKAPQRVCTACAGTLNGVSTL 1Z5M Chain:A ((1-280)) -PRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSR-------LDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLH------GKG----------IIHRDLKPENILLNEDMHIQITDFGTA--------KVLS----------FVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQ--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1Z5M.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 : 1355 -159855 -117.97 -605.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -117.97 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_1Z5M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z5M-query.scw PDB file : Tito_Scwrl_1Z5M.pdb: