Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITVNDVSLH-FSDRKLFDDVNIKFTPGNCYGLIGANGAGKSTFLKVLSGDLQPSTGSVTMGPDERMAVLKQNHYDYEDYTVLETVIMGHKRLYEVLKEKDAIYMKEDFTDEDGIR----AAELEGEFAELNGWEAEPEAAVLLQGLNIPEELHHQQMSELTGGQKVKVLLAQTLFGKPDVLLLDEPTNGLDIQSINWLEEFLINFENTVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWLESSQLAAKLQANANAKKEEQIKELQEFIARFSANASKSKQATS--RKKMLEKITLDDIQPSSRRYPFVGFKPEREIGNDLLQVENVSVTIDGKKILDDISFNLSKEDKVAFVAENDITTTTLFKVIMGEITPDTGTVRWGVTTSNSYLPKDTTKEFDTDLTILDWLRQYASKE--EDDNTFLRSFLGRMLFSGEEVLKPVNVLSGGEKVRCMLSKMMLSKANVLVLDDPTNHLDLESITALNDGLMAFTGSILFASHDHQFIQTLANRIIAVSDKGVIDRADTTYDEFLENADIQKQLNELWA 3J5S Chain:D ((10-526)) -----RVGKVVPPKRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQAHDGHNLNVQLERAADALRLP--DWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEKELEWVRQG----TKGRQSKGKARLARFEELNSTEYQK-RNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFRD-SMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGN-------------------

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 : 2454 113775 46.36 223.97 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : 46.36 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.372

(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: