Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKVILAAFILVGSTLGAFSFSSDASAKHVNGNITWYNGV--GKKGSSGKKLGHWDC-ATKIGFDVPRNGTKIRAYAKAKPKKVITV---YKNDVGRMPNAVLDVSPKAFKALGYPLSKGKVAGHYSY 4AVR Chain:A ((2-93)) ------------------------------DTGEASYYGSRHAGLRTASGERYNPNAMTAAHRTL---PFGARVRVTN-LDNRRSVVVRINDRGPFRRGRI--IDVSRKAAEGLGM-IRSGVAPVRIES

General information: TITO was launched using: RESULT: Template: 4AVR.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 : 406 -29370 -72.34 -341.51 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -72.34 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4AVR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AVR-query.scw PDB file : Tito_Scwrl_4AVR.pdb: