Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLELRAIQSPIFSEPFDFTFHAQAFTLLVGSSGSGKSSLFQVIAQVSSLPYSGQVLIDGSEVSQLSIIARVQKVGILFQNPNHQFTMENLFEELIFTLENIG-------------YHL----QE---IDSKIAE----------------VVQQCRCEAILHRPIHHLSGGEKQKAAMAVLFAMNPRVYLLDEPFASIDRKSRIEILEILKELALDGKTVILCDHDLSDYKAYIDHMVELRDGKLRE-VFQIPSYEM--------------------TQ---V-----------------A--------------------SKEVASSPELFHMDRTTCEFGNRSLFSIADFTFY-QGISCILGDNGVGKSTLFRSILQFQ-KYKGRIAWKGTVLKKKKSLYRELTSIVQEAEKQFIRVSLREELQLDGPD---SERNQRIFQALRYFDLEQA-VDKSPYQLSGGQQKILQLLTILTSKASVILLDEPFAGLDDRACHYFCKWIVEERNQGRSFLLISHRLDPLISVVDYWIEMTSQGLRHVKEVTITKPLTSQSSNTQGEVR 3J5S Chain:D ((18-522)) ---------KRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDK-DIEGEARPQP-----------DIKIGYLPQEPQLN-PEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQAHDGHNLNVQLERAADALRL-PDWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDF---EGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEKELEWVRQGTKGRQSKGKARLARFEELNSTEYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKL---------ASVDQFRDSMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEF---PGCAMVISHDRWFLDRIATHILDYQDEGKVEF---------------------

General information: TITO was launched using: RESULT: Template: 3J5S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1461 6707 4.59 16.68 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : 4.59 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_3J5S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J5S-query.scw PDB file : Tito_Scwrl_3J5S.pdb: