Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADCILKMADITKK--FSGIRALDCVNLMIERGEIHALCGENGAGKSTLMNVLSGLYPYGSYDGEIFYDGKLCQFKDLKDSEEKGIVIIHQELALSPYLSIKENIFLGNEQAERGVIDWELTEKKTYELLNKVGLS-IDPNLLVSQIGVGQQQLVEIAKALSKSVRLLILDEPTAALNEEESANLLRLIRELKEQGVTSIIISHKLNEIVDIADRITILRDGQTIE-TLENEMISEE----HIIRGMVGRDLVDRYPER-----KPDIGEVYFKVEDWTVYHPLD-HERIINDHINLHLKKGEIVGIAGLMGAGRTEFAMSLFGHSYGSKISGRILKEGAEISV-KT--VPSAIANGLAYVSEDRK--------------------------SLGLNL-L-----M----D---------------IRENVTLSSLDKI---S-QKGVLDKE--------------------------KEVTEAENFRKKMRIKT-NSIHQIVSSLSGGNQQKVVLSKWLMTQPDILFLDEPTRGIDVGAKYEIYTIIEEMAANGKAVCLISSELPEILGMCDRIYTMNEGRITGEVSREDADQEVLMKLMTKEEVG 2IX8 Chain:A ((1429-1975)) ------DLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD----GFPTQEE------------CRTVYVEHDIDGTHSDTSVLDFVFESGVGT----------KEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNT---CGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEF--QYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGEL--LPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEF---EGGVIIITHSAEFTKNLTEEVWAVKDGRMTPSGH-------------------

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 : 1874 32399 17.29 72.48 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 17.29 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.297

(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: