Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVKD-QTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQGQI-LR-KDIK-LALVEQE--------------------------TAA------YSFADQT------PAE-KKLLEKWHV---PLRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLDEKSLQFLIQQLKHY---NGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-TAEGSVWVSPSANIGYLTQEVFDLPLEQTPEELFENET---FKARGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQY----SGTLLAVSHDRYFLEKTTNSKLVISN--NGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 3J16 Chain:B ((82-555)) --------HVTHRYSANSFKLHRLP-TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPS-VY-GVVTLPASVR-----E----------G---INIFLDGHIPA---------E-----------------NLRFRTEALQ-F-R-IA-DAT-------E--DLQNDSASRAFSYPSLKKTQG-DFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIP--KLNVSMKPQKIAPK-FPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPE-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3J16.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2117 -147852 -69.84 -356.27 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -69.84 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_3J16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J16-query.scw PDB file : Tito_Scwrl_3J16.pdb: