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

General information: TITO was launched using: RESULT: Template: 1WEF.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 : 1010 -112678 -111.56 -521.66 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -111.56 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_1WEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WEF-query.scw PDB file : Tito_Scwrl_1WEF.pdb: