Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCGVVGIAGKSPVNQMLFDALTMLQHRGQDAAGIVTCHEGRLF-LRKDNGMVRDVFHTRHMRALLGNYGIGHVRYPTAGSSSSAEAQPFYVNSPYGITLAHNGNLTNAEEIHDDLFKTDLRHMNTDSDSEVLLNVFAHELQKIGTLNPTPEDIFHTVSRVHERCQGAYGVVAMITGHGLVGFRDPNGIRPLIYGSRVTEQGEMEYIIASESVAITALGFKIERDIAPGEAIFINADGELFTKQCAANPKYRPCIFEYVYFARPDAIIDGISVYKARLKMGEKLAHKILRDWGEDHDIDVVIPIPDTSRTSALELANILGVKLREGFMKNRYIGRTFIMPGQQQRKKSVRQKLNPVELEFKGKNVLLVDDSIVRGTTCNEIIQMARDSGAKKVYFASAAPKVMYPNVYGIDMPAKTELIASERSVEEIQEIIGADRLIFQDLEDLKNAVRTSKVPTLTEFDCSVFDGIYVTGGIDADYLNNLEQKRNDSAKKKKDGYIDVNIDAASVDLTGIKEE 1ECB Chain:D ((1-481)) -CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGLVSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPYGITLAHNGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEADNIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDENRTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSNPCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREW-EDLDIDVVIPIPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIM--------SVRRKLNANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIRFPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAEN-PDIQQFECSVFNGVYVTKDVDQGYLDFLDTL------------------------------

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 : 2975 -109024 -36.65 -230.98 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.89 3D Compatibility (PKB) : -36.65 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.532

(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: