Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSLSTEQLGIGYGDRVIVEDLNISIPKGKITTLIGPNGCGKSTILKTMSRIMRSHAGAVYLNGKAIHKMSTKDIAKDMAILPQTPEAPSGLTVHELVSYGRFPHQSGFGR---LNDEDRRIIKWALEETGMAEYAERPIEALSGGQRQRVWIAMALAQGT-------ELLLLDEPTTYLDLAHQLEILQLLDRLNKEQGRTILMVIHDLNHAARFSHYMIALKKGTVIKEGTALEVMTPDILKQVFQIDAEIVTDPRTNKPVCLTYDLIKNEKELVTV 4DBL Chain:H ((19-233)) ---------------------LSGEVRAGEILHLVGPNGAGKSTLLARMAG-MTSGKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTL----HQHDKTRTELLND-----VAGAL---ALDDKLGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMNSLDVAQQSALDKILSALS-QQGLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGMN-----------------------------

General information: TITO was launched using: RESULT: Template: 4DBL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 987 -45627 -46.23 -222.57 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain H : 0.73 3D Compatibility (PKB) : -46.23 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4DBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DBL-query.scw PDB file : Tito_Scwrl_4DBL.pdb: