Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPMIDSKAVVQAHNLFMTFKAENKKSADISAIVDLNMQIKKGELTALVGPDGAGKTTLLRLIAGLYKASSGSLHVLGLDIEKHPQVVQDRISYMPQRFGLYEDLSVQENLNLYADLHGVPKNVRNQRFKRLLEITDLTQ-FTQRLAGQLSGGMKQKLGLACTLVRSPELLLLDEPSVGVDPLSRRDLWIIIEQLVQEENLSVIISTAYMDEAEK-CAYVYIMHEGKIL-RQGSPEQLKALVHEQTWQIKPSEQIKPRIVQAQLLGNSGEIIDAVPRGEQVNFISRQKELSTNILPLGLVANRRPPELEDAFMMLLQQNQKQQISISQQTFRSEQNNNSQSDQAVIVVKDLVRTFGD--FTAVANTSFTVQRGEIFGLLGPNGAGKTTTFRMLCGLLPASSGYLEVAGKNLRT-ARAEARAKVG-YVSQKFA--------------------------------LY--S-----------------------NLTVLENLKFF-------GGA--YGLSG--------------------------KKLDQQIDKALQQYDLKPQ----IKSGDLPVGYKQRLSMAAALLHEPEILFLDEPTSGIDPLARHSFWYSIGKLANQGITIIITTHFMEEAE-YCDRIAIQDAGKLLALGSPQQVRELASKDKHIVDMNEAFIAIVEQARALRHAG 2IX8 Chain:A ((1427-1975)) ----------GEDLCNCEFSLAY-----GAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQE----------ECRTVYVEHDIDGTHSDTSVLDFVFESGV-----G--TKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNT----CGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAA--------K-----AYEE----------L--SNTDLEF-----------------------KFPE---------------------PGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEF---EGGVIIITHSAEFTKNLTEEVWAVKDGRMTPSGH-----------------------------------

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 : 1867 -50632 -27.12 -114.04 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -27.12 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.334

(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: