Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSQFVNKTLKVLALCTGLISTSHFAQANDFVTHPNYLNFKQKAMSTYGLSGEQVDAAMNGAKNLPNIINIMTRP-GESKPWYDYRSMFLVEGTIQRGVRFKNQYADALNRAEQQFGVSQAVILGILGVETGYGANKGSFITRDALATLAFGYPRRAEYFGDELAALIAWTYKEGYPTNSIVGSYAGAIGFPQFMPSNISKYGVDFDGNGHIDLRNSAEDAIGSIANYLAKQGWQCDQPIGFIARYTGSNPESIIAKDLTQPTPYGALKNQGISPLNPLVKIDDLDLVNVIQLQDYNGPIYYLTYPNFQVITTYNKSRMYATAVWLLGTEVASR 4ANR Chain:A ((23-319)) ----------------------------------PQVAEFVSEMTRDYGFAGEQLMGLFRDVNRKQSILDAISRPAERVKQWKEYRPIFISDARISRGVDFWNKHAEDLARAEKEYGVPAEIIVSIIGVETFFGRNTGSYRVMDALSTLGFDYPPRADFFRKELREFLLLAREQQVDPLSLTGSYAGAMGLPQFMPSSFRAYAVDFDGDGHINIWSDPTDAIGSVASYFKQHGWVTGEPVVSVAEINDESAESAVTRGVDPTMSLGELRARGWRT-----L-RDDQKVTAMRFVGDKGIEYWVGLPNFYVITRYNRSAMYAMAVYQLAGEIARA

General information: TITO was launched using: RESULT: Template: 4ANR.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 : 1477 -46253 -31.32 -157.86 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -31.32 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4ANR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ANR-query.scw PDB file : Tito_Scwrl_4ANR.pdb: