Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTTNGWINGFIGVLIFSGSLPATRLAVSDFDPLFLTVCRAAIAGVLAGGLLLIFRQQHPAKRDLISLLVVAFGVVIGFPLLTALALQHVTSAHAIVFIGLLPLATAVFGVLRGGER----PRPVFWIFSAAGSLLVAGFALI--QGGGSSPLG--------DAYMLASIVV-CGLGYAEGAKLSRRLGNWQVISWALVLSLPLMLPLSFFFTPDSWSAIGVPALLSLAYVSLFSMLIGFVFWYRGLAQGGIAAVGQLQLLQPFFGLLLASVILHEKVGWALVAVNIAVIMCVAAARRFAK------ 4BZW Chain:A ((1-275)) -MQVEQRTLNTAAHPFQITAYWL------DQISDFETAVDYPIMIICPGGG----FTYHSGREEAPIATRMMAAG-----MHTVVLNYQLIVGDQSVYPWALQQLGATIDWITTQASAHHVDCQRIILAGFSAGGHVVATYNGVATQPELRTRYHLDHYQGQHAAIILGYPVIDLTAGFPTTSAARNQITTDARL-WAAQRLVTPASKPAFVWQTAT--DESVPPINSLKYVQAMLQH-QVATAYHLFGSGI-------------HGLALANHVTQKPGKDKYLNDQAAIWPQLALRWLQEQGLLAGN

General information: TITO was launched using: RESULT: Template: 4BZW.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 : 1426 -243932 -171.06 -960.36 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -171.06 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_4BZW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BZW-query.scw PDB file : Tito_Scwrl_4BZW.pdb: