Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPTREFYQEYNQAFGKFWKQRTGQD-VDFKQSHGGSGKQARAVATGLEADVVTLALANDIDEIV-KAGFIQPNWQKEFPNNSAPYTSTVVFLVRKGNPKNIRDWNDLTKPGVEIITPNPKTGGAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALLATKGLDKDKYEIVYPSISILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAKHYFRPRNPQVAAKY-AAQFPKIKLFTINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 5UM2 Chain:A ((19-334)) -------------------------SHREIGLLNVSYDPTREFYRDYNAAFAAQWKQQHPQDTVTVETSHGGSGKQARAVIDGIEADVVTLALAYDVDAIAQKAKLIETDWEKRLPDNSAPYTSTIVFLVRKGNPKNIHDWPDLLRSGVAVVTPNPKTSGGARWNYLAAWAYADHIFKGDRERILRYMQALFRNVPVLDTGARGATTTFVQRGIGDVLLAWENEALLAREELGKDKFEIVVPKLSILAEPSVALVDKNVDKHGTREVAEAYLRYLYAPEGQKLAAKHFYRPRHPEFADPADIARFPEIKLVTIQQAFGSWEKAQQEHFADGGVFDQIQANK-

General information: TITO was launched using: RESULT: Template: 5UM2.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 : 1845 74015 40.12 236.47 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : 40.12 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_5UM2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UM2-query.scw PDB file : Tito_Scwrl_5UM2.pdb: