Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVKDQTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQGQILRKDIKLALVEQETAA-----YSFADQT------PAE-KKLLEKWHV----PLRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLDEKSLQFLIQQLKHYNGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGE--RTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-TAEGSVWVSPSANIGYLTQEVF-DLP--LEQTPEE------------------------------------------------------------------LFENET------------F------------------------------KARGHVQNLMRHLGFTAAQ-WTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQYSGTLLAVSHDRYFLEKTTNSKLVISNNGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 2IW3 Chain:A ((440-979)) --------EFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQV--DGFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAA------------KAYEELSNT------D---------L-------------------E--------F-K----FPE-P-----GYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRMTPS---------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IW3.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 : 2002 -192471 -96.14 -470.59 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -96.14 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2IW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IW3-query.scw PDB file : Tito_Scwrl_2IW3.pdb: