Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILLQANQIARHFGAEVLFENIHLEISTGARVALVGRNGAGKSTLLKIIAGIEAPDEGKIAKNKTATLGYLAQDTGLDSNETVWNEMLKAFEQVRQMEERMRELEIFISEGTPDTPAYSSYLKEYDRLQHDFSDRNGYGYENEIRSVLHGFKFDSSFYDQKIDTLSGGQRTRLALARMLLQHPDILILDEPTNHLDIETLSWLENYLQSYTGALLIVSHDRYFLDKVVNEVYELSRRKMRHYKGNYSKYLDLKAEQLASEWKAYEKQQTEIHKLEDFVARNLVRASTTKRAQSRRKTLEKMDRLDRPQGDEKQANFLFSIEKPSGNVVLQIEDAAIGYDN--VTLSEPINLDIRRQEAIALVGPNGIGKSTLLKSIIHQIPFIRGKETLGTNVTIGYYDQGQAD-----------LH-----TNKTILA------------------E-----------------------------------LWD-----------EHPTT------------------------------PEKEIRSALGAFLFSGE-DVEKPIPLLSGGEKARVALAKLAMNKENFLILDEPTNHLDIDNKEVLENALIDYDGTLLFVSHDRYFINRIATKVVELSENGSKVYLGDYDYYLEKKQEEEEIAELLAQDEPESAPAPTNKSDYYQSKEQQKLIRSLQRKITQVEEEMARIDEWIDQLEQEMVAPENLEDHVKLNELNQDLEAARQDQETKLTEWEELSLELEEYEN 2IX8 Chain:A ((1434-1972)) -------EFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGV----------------------------------------------GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAA------------K----------AY-----------------EELSNTDLEFKFP-EPGY-LEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTG-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 : 1743 -106439 -61.07 -250.44 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -61.07 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.357

(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: