Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTKMAAADFEFGPPLGTGAFSKVVVGLYKPTNVRYAVKFISKRSILDAPTDEERTRMAEVARRETRMLLMCEHPNIVKFHASMQTTEDLLYVTELCEGGELLKHIERWGHIPLEAARHAIAELFSAVFYLHHGEKKSNSGPSGPAMKPLTVIHRDIKPENIMLSADKHLRLIDFGTAVVCQSADDKATGEETGSGRAQTFCGTTYYMSPELLESSYTCCASDYWGCGCVLYLMLVGQRPFDASTQYLLIKTILEKEPEFPEDMDPDAKDLIRKLLVKDPKARIGMKEI------KRHPFLASVNLSTVANQDVADFWLRETPWVDEASISACMACQRPFGILRSKQFCHNCGRITCNSCIRDLRIIPESRWKAPQRVCTACAGTLNGVSTL 5LVO Chain:A ((29-305)) ----KRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIK-------ENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKG----------------IIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQ--------ARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEGLIFAKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQ--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LVO.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 : 1392 -181234 -130.20 -668.76 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -130.20 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_5LVO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LVO-query.scw PDB file : Tito_Scwrl_5LVO.pdb: