Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVK-DQTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQGQI-LRKDIKLALVEQETAA----YSFADQT--------------------P-------------A----------E-KKLLEKWHV--PLRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLDEKSLQFLIQQLKHYNGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-TAEGSVWVSPSANIGYLTQEVFDLPLEQTPEELFENETF-----KARGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQYSGTLLAVSHDRYFLEKTTNSKLVISN-NGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 4FIN Chain:A ((3-535)) -QFVYTMHRVGKVVPPKRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQLNVQLERAADALRLPDWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEK-------ELEWVRQG-----T-------K---------KGKARLARFEELNST---EYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFRDSMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEYEEYKK---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2343 -169053 -72.15 -364.34 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -72.15 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4FIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIN-query.scw PDB file : Tito_Scwrl_4FIN.pdb: