Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKRKGCFAAAGFMMIFVFVIASFLLVLLFFNRDLIKKLPIDTKTIVLERLTDYKPLVEEELESQGLSNYTSLILGMMYQES---KGKG-----------------NDPMQSSESLGL----K-----------------RNEITDPQLSVKQGIKQFTLMYKTGKEKGVDLDTIIQSYNMGAGYIDFVAEHGGTHTEELAKQYSEQQVKKNPDLYTCGGNAKNFRYPYCYGDYTYAEKVKEKTKTVEESLQVATLETMESKAHE 4M5E Chain:A ((225-334)) ------------------------------------------------------RAKVMSAAARKYDLTP--QLIGAIILAEQRDQTRDEDAKDYQAAVSIKSANTSIGLGQVVVSTAIKYELFTDLLGQPVRRGLSRKAVATLLASDEFNIFATARYIRYVANLA----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4M5E.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 : 160 -4279 -26.74 -62.01 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -26.74 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_4M5E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M5E-query.scw PDB file : Tito_Scwrl_4M5E.pdb: