Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVKDQTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQGQILRKDIKLALVEQETAAYSFADQTPAEKKLLEKWHVPLRDFHQLSGGEKLKARLAKGLSEDA--DLLLLDEPTNHLDEKSLQFLIQQLKHY---NGTVILVSHDRYFLDEAATKIWSL------EDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-T---------------------AEGSVWVSPSA-----------NIGYLT-------------------------------------------------------------------------QEVFDLPLEQTPEELFENETFK-ARGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKD---VLILDEPTNHLDLPSREQLEETLSQY---SGTLLAVSHDRYFLEKTTNSKLVIS------NNGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 2R6F Chain:A ((498-940)) ------------------------------------------------------------------------------------------------LSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLA-ADYLIDIGPGAGIHGGEVVAA-GTPEEVMNDPNS--------------LT---GQYL---SGK---------K--------------F-------------I-P----IPA-----------ERRRPDGRWLEVVGAR-----EHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKAKPGEHRDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIA-EVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIK-TADYIIDLGPEGGDRGGQIVA-VGTPEEV--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R6F.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 : 1525 -101565 -66.60 -324.49 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -66.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_2R6F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R6F-query.scw PDB file : Tito_Scwrl_2R6F.pdb: