Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLEDKLKQKDIQQFRDDLISWFEREQR-VLPWREDQDPYKVWVSEVMLQQTRVETVIPYFLRFVEQFPTVEALADADEEKVLKAWEGLGYYSRVRNLQSAVKEVKQEYGGIVPPDEKDFGGLKGVGPYTKGAVLSIAYNKPIPAVDGNVMRVMSRILSIWDDIAKPKTRTIFEDAIRAFISKEKPS----EFNQGLMELGALICTPKSPSCLLCPVQQHCSAFEEGTERELPVKSKKKKPGIKTMAAIVLTDEDGQVYIHKRPSKGLLANLWEFPNLETQKGIKTEREQLIAFLENEYGIQADISDLQGVVEHVFTHLVWNISVFFGKVKQVSDTSKLKKVTKEELEQFAFPVSHQKIWKMAGEAAAISAAP 1WEG Chain:A ((5-225)) --------------QFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIPYFERFMARFPTVTDLANAPLDEVLHLWTGLGYYARARNLHKAAQQVATLHGGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILDGNVARVLARCYAV---SGWPGKKEV-ENKLWSLSEQVTPAVGVERFNQAMMDLGAMICTRSKPKCSLCPLQNGCIAAANNSWALYPGKKPK---------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WEG.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 : 1019 -115044 -112.90 -532.61 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -112.90 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_1WEG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WEG-query.scw PDB file : Tito_Scwrl_1WEG.pdb: