Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFYALQ--DTLLRNAKSGGSSDTVDVESRYVLMEKIGSGSYGDVWSATRRTGTKDIYAVKRIDKRQAGTKGLRSVMGEVETMSLLSHPNIVKLEETYQDEACLSIVMEYLPGGSLQHRI--DRQNVSELETRRFITQLLMAVEYIHEKGIVHRDLKPSNCLL-SQNDLVVKISDFGLSVFAGNKQCLTTCCGTLHFMAPEILLEKNYGKPVDMWAMGVMAHVMFLGRYPFQARTEAALTKDICRGYRPREEGGGGLRCPPLLQDFISQLLLYDPLRRMSAKDALKHPWIKEGLDANRRT-SLYPSQAPSATAMKPSARWRAAALAVMGVQRLLYLQKIQRLVRLGYDGFPILRDYRYLVTGKYVPASTSVECSHMFHARPMALLELISMIDTCPFLKHVDLSWNNIHSLSVIQALLKVVTRHPSLQSIDLSHNPIPAVAGRSIVRLIRNPLSQVTCINVGDTGISADTIGQINSFLKEKLTPAALSYSVSTGDMQSRLTQGSGDDTLMTSSSTTVSSLQQKRSICSGPPKQPAKKESRGVRLPPISRPPVARRHGKMP 1KOB Chain:A ((23-374)) INDYDKFYEDIWKKYVPQPVEVKQGSVYDYYDILEELGSGAFGVVHRCVEKA-TGRVFVAKFINTPY--PLDKYTVKNEISIMNQLHHPKLINLHDAFEDKYEMVLILEFLSGGELFDRIAAEDYKMSEAEVINYMRQACEGLKHMHEHSIVHLDIKPENIMCETKKASSVKIIDFGLATKLNPDEIVKVTTATAEFAAPEIVDREPVGFYTDMWAIGVLGYVLLSGLSPFAGEDDLETLQNVKRCDWEFDEDAFS-SVSPEAKDFIKNLLQKEPRKRLTVHDALEHPWLKGDHSNLTSRIPSSRYNKIRQKIKEKYADWPAPQPAIGRIANFSSLRKHRPQEYQIYDSYFDRKEA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KOB.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 : 1856 57608 31.04 166.50 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 31.04 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_1KOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KOB-query.scw PDB file : Tito_Scwrl_1KOB.pdb: