Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAAAKLAFAVFLISCSSGAILGRSETQECLFFNANWEKDRTNQTGVEPCYGDKDKRRHCFATWKNISGSIEIVKQGCWLDDINCYDRTDCVEKKDSPEVYFCCCEGNMCNEKFSYFPEMEVTQPTSNPVTPKPPYYNILLYSLVPLMLIAGIVICAFWVYRHHKMAYPPVLVPTQDPGPPPPSPLLGLKPLQLLEVKARGRFGCVWKAQLLNEYVAVK----IFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVDLWLITAFHEKGSLSDFLK----ANVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSAGDTHGQ-VGTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWELASRCTAADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHAGMAMLCETIEECWDHDAEARLSAGCVGERITQMQRLTNIITTEDIVTVVTMVTNVDFPPKESSL 2NRY Chain:A ((40-235)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEGGFGVVYKGYVNNTTVAVKKLAAITTEELKQQFDQEIKV--MAKCQHENLVELLGFSSDGD----DLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHEN-------HHI---HRDIKSANILLDEAFTAKISDFGLARAS------QTVMSRIVGTTAYMAPEALRGEIT------PKSDIYSFGVVLLEIITGLPAVD------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2NRY.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 : 817 -20150 -24.66 -112.57 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -24.66 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.137

(partial model without unconserved sides chains): PDB file : Tito_2NRY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2nry-query.scw PDB file : Tito_Scwrl_2NRY.pdb: