Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVQENIVIEMQNITKEF-GTFKANDNINLQVKAGEIHALLGENGAGKSTLMNVLSGLLEPTSGKILMRGKEVKITSPTKANQLGIGMVHQHFMLVDAFTVTENIVLGSEPSRA----------------GML----DH-KKA------------RKEIQKVSEQYGLSVNPDAYVRDISVGMEQRVEILKTLYRGADVLIFDEPTAVLTPQEIDELIVIMKELVKEGKSIILITHKLDEIKAVADRCTVIRRGKGIGTV-NVKDVTSQ-------QL---------ADMMVGRT---------------VSFKT----------------MKKEAKPQEVVLSIENLVVKENRGLEAVKNLNLEVRAGEVLGIAGIDGNGQSELIQALTGLRKAESGHIKLKGEDITNKKPRKITEHGVGHVPEDRHKYGLVLDMTLSENIALQTYHQKPYSKNGMLNYSVMNEHARELIEEYDVRTTNELVPAKALSGGNQQKAIIAREVDRDPDLLIVANPTRGLDVGAIEFIHKRLIEQRDKYKAVLLISFELEEILNVSDRIAVIHEGEIVGIVDPKETSENELGLLMAGYTLEEARKELEKGAGAHE 3J5S Chain:D ((7-544)) --------TMHRVGKVVPPKRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQ------------PDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQAHDGHNLNVQLERAADALRLP-DWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDF---EGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEKELEWVRQGTKGRQSKGKARLARFEELNSTEYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGD-RLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKL------------ASVDQF--RDSMDNSKTVWEEVSGGLDI----MK--I-GN--TEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEF---PGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEYEEYKKRTLGADALE-------------

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 : 1911 98810 51.71 216.69 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.70 3D Compatibility (PKB) : 51.71 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.384

(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: