Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKINHLTITQNKDLRDLVSDLTMTIQDGEKVAIIGEEGNGKSTLLKTLMGEDLSDFTIKGDIQSDYQSLAYIPQKVPEDLKKKTLHDYFFLDSIDLDYSILYRLAEELHFDSNRFASDQEIGNLSGGEALKIQLIHELAKPFEILFLDEPSNDLDLETVDWLKGQIQKTRQTVIFISHDEDFLSETADTIVHLRLVKHRKEAETLVEHLDYDSYSEQRKANFAKQSQQAANNQRAYDKTMKKHRRVKQNVETALRATKDSTAGRLLAKKMKTVLSQEKRYEKAAQSMTQKPLEEEQIQLFFSDIQPLPAS-KVLVQLEKENLSID--DRVLVQKLQLTVRGQEKIGIIGPNGVGKSTLLAKLKQLLNDK-------REISLGFMPQDYHK------------KL-------------------Q----LDL-----------------SP---------------IAYISK-----------T---GEK---------------------------EELQKIQSHLASLNFSYP-EMQHQIRSLSGGQQGKLLLLDLVLRKPNFLLLDEPTRNFSPTSQPQIRKLFATYPGGLITVSHDRRFLKEICSIIYRMTEHGLKLVNLEDL 2IX8 Chain:A ((1430-1972)) ---LCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDG-----FPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVG-TKEAIKDKLIEFGFTDE--MIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLK------LRKYKGNFTEFVKKCPAA-------------------KAYEELSN---------TDL-----------EF----K--------F---PEPG-Y--L----EGVKTKQKAIVK-VTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRMTP------

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 : 1735 -71465 -41.19 -168.95 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -41.19 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.336

(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: