Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLEDKLKQKDIQQFRDDLISWFEREQRVLPWRE--------DQDPYKVWVSEVMLQQTRVETVIPYFLRFVEQFPTVEALADADEEKVLKAWEGLGYYSRVRNLQSAVKEVKQEYGGIVPPDEKDFGG-LKGVGPYTKGAVLSIAYNKPIPAVDGNVMRVMSRILSIWDDIAKPKTRTIFEDAIRAFISKEKPSEFNQGLMELGALICTPKSPSCLLCPVQQHCSAFEEGTERELPVKSKKKKPGIKTMAAIVLTDEDGQVYIHKRPSKGLLANLWEFPNLETQKGIKTEREQLIAFLENEYGIQADISDLQGVVEHVFTHLVWNISVFFGKVKQVSDTSKLKKVTKEELEQFAFPVSHQKIWKMAGEAAAISAAP 3N5N Chain:X ((10-242)) -------RDVAEVTAFRGSLLSWYDQEKRDLPWRRRAEDEMDLDRRAYAVWVSEVMLQQTQVATVINYYTGWMQKWPTLQDLASASLEEVNQLWAGLGYYSRGRRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIAFGQATGVVDGNVARVLCRVRAIGADPSSTLVSQQLWGLAQQLVDPARPGDFNQAAMELGATVCTPQRPLCSQCPVESLCRARQRVEQE-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N5N.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 978 -106226 -108.62 -485.05 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain X : 0.69 3D Compatibility (PKB) : -108.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3N5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N5N-query.scw PDB file : Tito_Scwrl_3N5N.pdb: