Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENIMAYITLRDVQL--AFGGPALLDGANFNLERGERVCLIGRNGEGKSTLLKLIEGSLLPDSGEVSVQNGLTVSMLAQDVPMSSG-KVADNVAEGAGEAAAVLKAYHEASDACVLGDMEACDRMGSLQHKLDQLDGWALENKVNTILGKMELDP---NADLADLSGGRKRRVLLARALLTQPDVLLLDEPTNHLDVESIEWLEKFLLDQNNLTLLFISHDRSFVDRLATRIVELDRGILRSYEGNYSRYLDLKAQQLEAEEKQNALFEKKLAEEEAWIRQGIKARRTRNEGRVRALKALREESKARRFQQGKVNMGVQEAQRSGKLVFDIEHLSVSYD--GQTLIRDFSAIVMRGDRIGLVGDNGVGKTTLIKAILGEVQH-EGVVKTGTQLEIAYFDQLRNQ-L------DL---------EKSVS------------------ENVSEG----------------------------------------------SDFVDV--------------N------------GQRRHILSYLQDFLFSPE-RARTPVKALSGGERNRVLLAKLLLKPSNLIVMDEPTNDLDMVTLELLEEMLSEYKGTLLLISHDRAFMDNVVTSTWVFDGKGGIAEYIGGYQDYLIQRPNERVVDQKGDVKKAQAKAEAEKNAAQTNVKKVKLSYKDQRELEQLPAEIEKLENEQAELSDKLADGSWFVTDADAATKASQRLAEIEELLLEKLERWDELEQKSKGN 2IX8 Chain:A ((1429-1972)) --------DLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVG----------------------------------------TKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTC-GITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKA---------------Y----------------------EELSNTDLE-F-KFPEPGYL-EGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTG-DRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKD-GRMTP------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IX8.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 : 1769 55383 31.31 129.70 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 31.31 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_2IX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IX8-query.scw PDB file : Tito_Scwrl_2IX8.pdb: