Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTKMAAADFEFGPPLGTGAFSKVVVGLYKPTNVRYAVKFISKRSILDAPTDEERTRMAEVARRETRMLLMCEHPNIVKFHASMQTTEDLLYVTELCEGGELLKHIERWGHIPLEAARHAIAELFSAVFYLHHGEKKSNSGPSGPAMKPLTVIHRDIKPENIMLSADKHLRLIDFGTAVVCQSADDKATGEETGSGRAQTFCGTTYYMSPELLESSYTCCASDYWGCGCVLYLMLVGQRPFDASTQYLLIKTILEKEPEFPEDMDPDAKDLIRKLLVKDPKARIGMKE------IKRHPFLASVNLSTVANQDVADFWLRETPWVDEASISACMACQRPFGILRSKQFCHNCGRITCNSCIRDLRIIPESRWKAPQRVCTACAGTLNGVSTL 3RWP Chain:A ((33-305)) --------DFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSR-------LDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLH------GKG----------IIHRDLKPENILLNEDMHIQITDFGTA--------KVLS---------SFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQ--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RWP.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 : 1323 -166113 -125.56 -643.85 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -125.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3RWP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RWP-query.scw PDB file : Tito_Scwrl_3RWP.pdb: