Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MIHKHETRELVAIEELVMSWIEAFKSLSYFGIFLALSIEFIPAEVVLPLAGYWVSKGDMTLAGVVLAGSLGG----VAGPLTLYWIGRYGG-----RPFLERFGKYLFIK-------------PEALDKSDNFFKKHGGFVAFSGRFLPGIRTLISIPCGIAKMNVWVFSLYTF-----IAML----PITFVYVYLGVKL----GENWKAVGSILDQYMLPIGIAILALFLLYLLMKKRKKRTHSEQLSVFLKNKR 3RGF Chain:B ((1-266)) KAMAGNFWQSSHYLQWILDKQDLLKERQKDLKFLSEEEYWKLQIFFTNVIQALGEHLKLRQQVIATATVYFKRFYARYSLKSIDPVLMAPTCVFLASKVEEFGVVSNTRLIAAATSVLKTRFSYAFPKEFPYRMNHILECEFYLLELMDCCLIVYHPYRPLLQYVQDMGQEDMLLPLAWRIVNDTYRTDLCLLYPPFMIALACLHVACVVQQKDARQWFAELSVDMEKILEIIRVILKLYEQWKNFDERKEMATILSKMPKPKPPP

General information: TITO was launched using: RESULT: Template: 3RGF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 824 -171085 -207.63 -774.14 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -207.63 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_3RGF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RGF-query.scw PDB file : Tito_Scwrl_3RGF.pdb: