Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFIVEKLSKSVGDKTVFRDISFIIHDLDRIGLIGVNGTGKTTLLDVLSGVSGFDGDVSPFSAKNDYQIGYLTQDPDFDDRKTVLDTVLSSELKEIQLIREYELIMLDYSEDKQARLERVMAEMDSLQAWEIESQVKTVLSKLGIQ--DLSTPIGELSGGLRRRVQLAQVLLGNHDLLLLDEPTNHLDIAIIEWLTLFLKNSKKTVLFITHDRYFLDALSTRIFELDRAGLTEYQGNYQDYVRLKAEQDERDAALLHKKEQLYKQELAWMRRQPQARATKQQARINRFHDLKKKVSGSSAETDLTMNFETSRIGKKVIEFQAVSFAYE--NKPILQDFNLLVQAKDRIGIVGDNGVGKSTLLNLIAGSLEPTKGQVVIGETVRIAYFSQQIEG----LD---E---------SKRVIN------------------YLQE----------------------------------------------VAEEVKTS-------------------------GGSTTSIAELLEQFLFPRS-THGTLIEKLSGGEKKRLYLLKLLLEKPNVLLLDEPTNDLDIATLTVLENFLQGFAGPVLTVSHDRYFLDKVATKILAFEDGKIRPFFGHYTDYLDEKAFETDMANQVQKVEKEKVVKVREDKKRMTYQEKQEWASIEGDIETLEKRIAAIEEEMQANGSDFGKLATLQKELDEKNEALLEKYERYEYLSEFDS 2IX8 Chain:A ((1435-1972)) --------FSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD-GFP---TQEECRTVYVEHDIDGTHSDTSVLDFVFESGV-------------------------------------GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAA------------KAY---E-ELSN----------TDL-------EFKFPE-----PGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTG-DRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRMTP------------------------------------------------------------------------------------------------------------

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 : 1756 -32449 -18.48 -75.99 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -18.48 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.398

(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: