Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METLDSSIFDLTPIPMWIEDFSEVKQLFDLWRNQGVENLYEFLSQNENLVVECAHKIKIIKVNQKVLDLFEAKNQEELCANLNLIFKKEMFEAHIHELEALWNGKTHFSSTTINYTLSAQRIDVQLRGAILPGSETTFDRILITAEDITPYQNALRQEEKNRRLAESMFIYSPTSLWVEDFSRIKNRIDQLRLLGIEDFRTFLDVHPEFVRQCIEDILILDVNQSTLDLFKAPDKTTLLKNTHKIFAEEMVETFREQLIELWQGNIHHKREAVNYALDGQIRNVLLQFTVFPGYEETWGLVQVALTDITARKKAENYLE-------YLGQHDVLTKLYNRAFFTEELNRL-NRSIIR--PVSSIFLDMNGLKETNDQLGHDIGDGLLRRVGNILNQAIMNTAYTASRIGGDEFVILMPGADEANVLMMLQTIQELFNIDNQYYSSHP-----ISIAIG-HATTKENEQVEDMLKRADHHMYQKKKSYYQEILLR 2WB4 Chain:B ((271-450)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RKRYTDYLRNNLDHSLELAVTDQLTGLHNRRYMTGQLDSLVKRATLGGDPVSALLIDIDFFKKINDTFGHDIGDEVLREFALRLASNV-RAIDLPCRYGGEEFVVIMPDTALADALRIAERIR-MHVSGSPFTVAHGREMLNVTISIGVSATAGEGDTPEALLKRADEGVYQAKASGRNAVV--

General information: TITO was launched using: RESULT: Template: 2WB4.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 : 662 5719 8.64 34.87 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 8.64 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_2WB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WB4-query.scw PDB file : Tito_Scwrl_2WB4.pdb: