Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFYALQDTLLRNAKSGGSSDTVDVESRYVLMEKIGSGSYGDVWSATRRTGTKDIYAVKRIDKRQAG---TKGLRSVMGEVETMSLLSHPNIVKLEETYQDEACLSIVMEYLPGGSLQHRIDRQ-----NVSELETRRFITQLLMAVEYIHEKGIVHRDLKPSNCLLSQN--DLVVKISDFGLSVFAGNKQ-CLTTCCGTLHFMAPEILLEKNYGKPVDMWAMGVMAHVMFLGRYPFQARTEAALTKDICRGYRPREEGGGGLRCPPLLQDFISQLLLYDPLRRMSAKDALKHPWIKEGLDANRRTSLYPSQAPSATAMKPSARWRAAALAVMGVQRLLYLQKIQRLVRLGYDGFPILRDYRYLVTGKYVPASTSVECSHMFHARPMALLELISMIDTCPFLKHVDLSWNNIHSLSVIQALLKVVTRHPSLQSIDLSHNPIPAVAGRSIVRLIRNPLSQVTCINVGDTGISADTIGQINSFLKEKLTPAALSYSVSTGDMQSRLTQGSGDDTLMTSSSTTVSSLQQKRSICSGPPKQPAKKESRGVRLPPISRPPVARRHGKMP 3C0I Chain:A ((20-294)) ----------------------VLFEDVYELCEVIGKGPFSVVRRCIN-RETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPHCVLLASKENSAPVKLGGFGVAIQLGESGLVAGGRVGTPHFMAPEVVKREPYGKPVDVWGCGVILFILLSGCLPFYGTKE-RLFEGIIKGKYKMNPRQW-SHISESAKDLVRRMLMLDPAERITVYEALNHPWLKERD------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C0I.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 : 1232 -35535 -28.84 -134.60 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -28.84 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_3C0I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C0I-query.scw PDB file : Tito_Scwrl_3C0I.pdb: