Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLEDKLKQKDIQQFRDDLISWFEREQR-VLPWREDQDPYKVWVSEVMLQQTRVETVIPYFLRFVEQFPTVEALADADEEKVLKAWEGLGYYSRVRNLQSAVKEVKQEYGGIVPPDEKDFGGLKGVGPYTKGAVLSIAYNKPIPAVDGNVMRVMSRILSIWDDIAKPKTRTIFEDAIRAFISKEKPSEFNQGLMELGALICTPKSPSCLLCPVQQHCSAFEEGTERELPVKSKKKKPGIKTMAAIVLTDEDGQVYIHKRPSKGLLANLWEFPNLETQKGIKTEREQLIAFLENEYGIQADISDLQGVVEHVFTHLVWNISVFFGKVKQVSDTSKLKKVTKEELEQFAFPVSHQKIWKMAGEAAAISAAP 1KG7 Chain:A ((5-224)) --------------QFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIPYFERFMARFPTVTDLANAPLDEVLHLWTGLGYYARARNLHKAAQQVATLHGGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILDGNVKRVLARCYAVSGWPGKKEVANKLWSLSEQVTPAVGVERFNQAMMDLGAMICTRSKPKCSLCPLQNGCIAAANNSWALYPGKKP----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KG7.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 : 997 -113486 -113.83 -518.20 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -113.83 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_1KG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KG7-query.scw PDB file : Tito_Scwrl_1KG7.pdb: