Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKPV------PKIYRTTNWSSYNQA-----LIKRGNISIWFDPKTQWYAQPQGKHGRNQTYSDAAIQCCLMIKSLFRLSLRMVTGFAQSLIKLCGLNWTAPDYSTLCRRQKRIDIAISYQQSRDGLHLLVDSTGLKFLGEG---EWKRKKHQPAYRRQWRKLHIGIDAKTLQIRAVQLTTNNVSDSQVLGDLLDQIPLDERIDSVYTDGAYDTKHCRQVIL-DRDAHAVIPPRKNAKPWKDKKLRSLARNELLKTVKRLGRSLWKKWSGYHRRSLVETKMHCIK 5GNG Chain:A ((1-214)) MKTKFYDYQGEHLILYFAGWGTPPDAVNHLILPENHDLLICYD------YQDLNLDFDLSAYRH--IRLVAWSMGVW-VAERVLQGI--RLKSATAVNGTGLPCDD--------SFGIPYAIFKGTLENLTENTRLKFERRICGDKASFERYQLFPARPFDEIHQELTALFAMIQQ-----------------------DKRIDLI---------HWANAWVSSRDK--IFTPANQHQYWALRCAVQEIEGEHY-VFSR-----FTHWSALWD------------

General information: TITO was launched using: RESULT: Template: 5GNG.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 : 989 23558 23.82 118.38 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 23.82 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.097

(partial model without unconserved sides chains): PDB file : Tito_5GNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GNG-query.scw PDB file : Tito_Scwrl_5GNG.pdb: