Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVPKKQVKEGTKMSRPNLQIALDHNDLEHALGDVMKVGDVVDIIEVGTILCLQEGQKAIRCIRSMFPDKKLVADTKCADAGGTVASNVAKAGADWMTVICCATIPTMEA----AQKEIGELQVELYGNWTFEQAMDWHNIGIRQVIYHQSRDALLSGETWGEKDLSKIKKLIELGFNVSVTGGLNPHTLHLFEGIDVYTFITGRGITAANDPMKAAQNFKDEIIRIWG 3IEB Chain:B ((5-217)) -------------TKPMIQIALDQTNLTDAVAVASNVASYVDVIEVGTILAFAEGMKAVSTLRHNHPNHILVCDMKTTDGGAILSRMAFEAGADWITVSAAAHIATIAACKKVADELNGEIQIEIYGNWTMQDAKAWVDLGITQAIYHRSRDAELAGIGWTTDDLDKMRQLSALGIELSITGGIVPEDIYLFEGIKTKTFIAGRALAGAE-GQQTAAALREQIDRFW-

General information: TITO was launched using: RESULT: Template: 3IEB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1086 -82647 -76.10 -395.44 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -76.10 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3IEB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IEB-query.scw PDB file : Tito_Scwrl_3IEB.pdb: