Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLEDKLKQKDIQQFRDDLISWFEREQR-VLPWREDQDPYKVWVSEVMLQQTRVETVIPYFLRFVEQFPTVEALADADEEKVLKAWEGLGYYSRVRNLQSAVKEVKQEYGGIVPPDEKDFGGLKGVGPYTKGAVLSIAYNKPIPAVDGNVMRVMSRILSIWDDIAKPKTRTIFEDAIRAFISKEKPS----EFNQGLMELGALICTPKSPSCLLCPVQQHCSAFEEGTERELPVKSKKKKPGIKTMAAIVLTDEDGQVYIHKRPSKGLLANLWEFPNLETQKGIKTEREQLIAFLENEYGIQADISDLQGVVEHVFTHLVWNISVFFGKVKQVSDTSKLKKVTKEELEQFAFPVSHQKIWKMAGEAAAISAAP 1WEI Chain:A ((5-224)) --------------QFSAQVLDWYDKYGRATLPWQIDKTPYKVWLSEVMLQQTQVATVIPYFERFMARFPTVTDLANAPLDEVLHLWTGLGYYARARNLHKAAQQVATLHGGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILDGNVKRVLAR-YAV---SGWPGKKEV-ENKLW-LSEQVTPAVGVERFNQAMMDLGAM-CTRSKPKC-LCPLQNGCIAAANNSWALYPGKKP----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WEI.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 : 963 -97153 -100.89 -460.44 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -100.89 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_1WEI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WEI-query.scw PDB file : Tito_Scwrl_1WEI.pdb: