Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQYIYTMNRVSKMVPP-KREILKDISLSFFPGAKIGVLGLNGAGKSTLLRIMAGVDKDFSGEARAQPGIKIGYLEQEPPLDPTKDVRGNVEDGVREALDALERLDQVFAEYADPDADFDALAKEQEKLESIIHAWDAHNLNNQLEIAADALNLPA--WDADVTKLSGGERRRVALCRLLLSKPDMLLLDEPTNHLDAESVSWLERFLKDFPGTIVAITHDRYFLDNVAEWILELDRGHGIPYQGNYTSWLEQKNARLEQEQKQEESFAKALKKELEWVRQNAKGQQKKNKARMERFEELNSREFQQRNETSEIYIPPGPRLGNKVVEVENISKSFGD--RLLYENLSFTVPPAAIVGIVGPNGAGKTTLFRMMTGEQKPDTGTVTLGDSVKVAYVGQIRDTL-----------D-----DNKTVWEEV-------------------SG--------------------------GLD--I--------------LK-VGDY----------------------------EIASRAYIGRFNFKGQ-DQQKRVGELSGGERNRLQLAKILQQGANVILLDEPSNDLDVETLRALEDAILVFPGTVMVVSHDRWFLDRIATHILSFEDEQPEFYTGNYTEFEAYRRAKLGDDAQPHRKKYKKISG 2IX8 Chain:A ((1429-1975)) ------DLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVG-------------------------------------------TKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPA--------A----KAYE---ELSNTD--------------LE----FKFPEPG-----YLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTG-DRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVK-DGRMTPSGH----------------------------

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 : 1822 30886 16.95 71.16 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 16.95 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.328

(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: