Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCGVVGIAGKSPVNQMLFDALTMLQHRGQDAAGIVTCHEGRLF-LRKDNGMVRDVFHTRHMRALLGNYGIGHVRYPTAGSSSSAEAQPFYVNSPYGITLAHNGNLTNAEEIHDDLFKTDLRHMNTDSDSEVLLNVFAHELQKIGTLNPTPEDIFHTVSRVHERCQGAYGVVAMITGHGLVGFRDPNGIRPLIYGSRVTEQGEMEYIIASESVAITALGFKIERDIAPGEAIFINADGELFTKQCAANPKYRPCIFEYVYFARPDAIIDGISVYKARLKMGEKLAHKILRDWGEDHDIDVVIPIPDTSRTSALELANILGVKLREGFMKNRYIGRTFIMPGQQQRKKSVRQKLNPVELEFKGKNVLLVDDSIVRGTTCNEIIQMARDSGAKKVYFASAAPKVMYPNVYGIDMPAKTELIASERSVEEIQEIIGADRLIFQDLEDLKNAVRTSKVPTLTEFDCSVFDGIYVTGGIDADYLNNLEQKRNDSAKKKKDGYIDVNIDAASVDLTGIKEE 1ECB Chain:B ((1-478)) -CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGLVSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPYGITLAHNGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEADNIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDENRTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSNPCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREW-EDLDIDVVIPIPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIM--------SVRRKLNANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIRFPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAEN-PDIQQFECSVFNGVYVTKDVDQGYLDFL---------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 2976 -106136 -35.66 -226.30 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -35.66 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.533

(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: