Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQF--GDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPDDGQIHWQKNIHKGYLDQYVEVDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKAGKLQTELDQGVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQHIQWLTQFLQDFDGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNRESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYD---RPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHFPDNTKINYFSQDLY------------WEN----PLETPL-----------------------------------------------------QYLS----------S-Q---FPK---------------------------ATIKELRRQLAKAGLVNQ-LASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGIQKFPGTVIIVSHEQEFYQDLVQRVIEIEPK 2IX8 Chain:A ((1428-1968)) ------------------EDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGV-----------------------------------------GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPA-----------A-KAY---EEL-SNTD-------L--------E---FKFPEP-----GYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTG-DRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDG

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 : 1736 55255 31.83 130.32 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 31.83 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.390

(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: