Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEISLNKINKSY-GFNPILKDFSFEIKSGERIALIGPNGCGKTTTLRIIMGE-DIDSGSINIRKGARVGYLSQIPNKEKDNVKAKEVFYRGVKELIELENNINEFVKNMNSS----EKSIKALDRLQEEFRIKGGYQLNERINKIKNGFKLSDELLDTEYNNLSGGEKTIINLASLVLSEVDVLLLDEPTNHLDIETLEWFEEYLNNYKGACLIVSHDRYFLDRVINKIVEIKNCKEEVYYGNYSYYLKESEKRFLLQFQSYKNQQKEITAIKEAIVRLKEWGTKSDNPMFFRRAAAMQKRLDRMELIDKPVEKSELKVNFVTTDRSGNEVLKIKNLDLNIGSRELLVSSNMEIYYQDRVCLMGRNGTGKTTLIKNIIN---NTHDNIILGTNIKIGYIPQEIRFDNEELTIYEHMRKIFV---G--SESELRSKLNRFYFGSEEIDKKLKNISGGEKVRIKLLELILLKSNFLILDEPTNHIDIDTREILEEALLDFDGTILFISHDRYFINKIATRIVRIENKKLVS-YEGNYDSLKVKTVPVIENTIKETPQVINIKGSNRLNEFIKDAKIEEVTIGCSNTKVYKIRKKSKVFFLKVADHLSQESIRLDYLQDKILVPEKVFYEKYNGKSYILTKSLKGEMLCSDYYSNHPLEGINIIVEAFNNLYNIDYSDCVIDETIDTKIKRIEDRFSKINNEDINKKILNRFITKENILKYLKGNKPKQIIGFTHGDMSLPNIFACDGHFSGLLDVSECGLGDIYFDLVICEISIERNYGKEYIDKFYESLGIEKDEFKSEYYRILMSL 3J5S Chain:D ((9-531)) ------HRVGKVVPPKRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLN-PEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQAHDGHNLNVQLERAADALRLP--DWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAA-----R--RKSIEKELEWVRQG-TKGRQSKGKARLARFEELNSTEYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFRDSMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEYE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 2452 117150 47.78 230.61 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : 47.78 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.269

(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: