Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTKMAAADFEFGPPLGTGAFSKVVVGLYKPTNVRYAVKFISKRSILDAPTDEERTRMAEVARRETRMLLMCEHPNIVKFHASMQTTEDLLYVTELCEGGELLKHIERWGHIPLEAARHAIAELFSAVFYLHHGEKKSNSGPSGPAMKPLTVIHRDIKPENIMLSADKHLRLIDFGTAVVCQSADDKATGEETGSGRAQTFCGTTYYMSPELLESSYTCCASDYWGCGCVLYLMLVGQRPFDASTQYLLIKTILEKEPEFPEDMDPDAKDLIRKLLVKDPKARIGMKE------IKRHPFLASVNLSTVANQDVADFWLRETPWVDEASISACMACQRPFGILRSKQFCHNCGRITCNSCIRDLRIIPESRWKAPQRVCTACAGTLNGVSTL 2R7B Chain:A ((34-306)) --------DFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHII-------KENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLH------GKG----------IIHRDLKPENILLNEDMHIQITDFGTA--------KVL-----------FVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQ--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R7B.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 : 1297 -172848 -133.27 -675.19 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -133.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_2R7B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R7B-query.scw PDB file : Tito_Scwrl_2R7B.pdb: