Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAEIKGLNEECGVFGIWGHEEAPQITYYGLHSLQHRGQEGAGIVATDGEK-LTAHKGQGLITEVFQNGELSKVKGKGAIGHVRYATAGGGGYENVQPLLFRSQNNGSLALAHNGNLVNATQLKQQL-ENQGSIFQTSSDTEVLAHL----IKRSGHFTLK-DQIKNSLS----MLKGAYAFLIMTETEMIVAL-DPNGLRPLSIGMMG-----DAYVVASETCAFDVVGATYLREVEPGEMLIINDEG-MKSERFSMNINRSICSMEYIYFSRPDSNIDGINVHSARKNLGKMLAQESA-----VEADVVTGVPDSSISAAIGYAEATGIPYELGLIKNRYVGRTFIQPSQALREQGVRMKLSAVRGVVEGKRVVMVDDSIVRGTTSRRIVTMLREAGATEVHVKISSPPIAHPCFYGIDTSTHEELIASSHSVEEIRQEIGADTLSFLSVEGLLKGIGRKYDDSNCGQCLACFTGKYPTEIYQDTVLPHVKEAVLTK 1ECB Chain:D ((1-468)) -----------CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGLVSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPY--GITLAHNGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEADNIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDENRTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSNPCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREWEDLDIDVVIPIPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIM--------SVRRKLNANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIRFPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAENPDIQQFEC-SVFNGVYVTK-----------------

General information: TITO was launched using: RESULT: Template: 1ECB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2744 -289136 -105.37 -661.64 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -105.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_1ECB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ECB-query.scw PDB file : Tito_Scwrl_1ECB.pdb: