Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MNRIFFILVAAGVPLSVIGSLMHWPSAVLFAVYCVTIIALASYMGRATESLSIIAGPRIGGLLNATFGNAVELIISLFALKEGLTGIVLASLTGSVLGNLLLVAGLSFFVGGLKYKRQEFNIHDARHNSGLLIFAIIVAFVI------PEVFSVGMG---------NASKLNLSIGISIIMILLYVAALYFKLVTHRGVYQPNNAAQTEEEEEPEWSGKVATIVLFAATIVVAYISENLVH--------TFHSVAEQF------------GWSELFIGVIIVAIVGNAAEHASAIIMAFKNKMDIAVEIAVGSTLQIAMFVAPVLVICSIF----FPTSMPLVFTLPELVAM--VSAVLLMIAISNDG------DSNWFEGATLLAAYVIMAIGFFLL 4WGV Chain:A ((45-439)) VGYMDPGNWITSMQGGAQYGYTLLFVILISSLAAMLLQSMTVRLGIAT-----GKDLAQMTRHFLSKPVAIIFWIIAELAIIATDIAEVIGSAIALDLIFGI--PLIVGALITVFDVFLLLFIMRFGFRKIEAIVGTLIFTVLAIFVFEVFISSPQLTDILNGFVPHKEIVTNQGILYIALGIIGATIMPHNLYLHSSIVQSRKYDRHDNEEKAQAIKYATIDSNLQLSIAFVVNCLLLTLGAALFFGTKTNDLGGFYDLYHALKTEPVLGATLGGVMSTLFAVALLASGQNSTITGTLAGQIVMEGFLRLSIPNWLRRLITRSLAVIPVIICLIIFKGNSEKIEQLLVFSQVFLSIALPFSLIPLQLATSNKKLMGPFINKTWVNIISWTLIVILSGLNVY--

General information: TITO was launched using: RESULT: Template: 4WGV.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 : 1602 -282777 -176.51 -826.83 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -176.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_4WGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WGV-query.scw PDB file : Tito_Scwrl_4WGV.pdb: