Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVK-DQTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQG--QI-LR------KDIK------------L--ALVEQETAA----Y---SFADQ---T-PAE-KKLLEKWHV---PLRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLDEKSLQFLIQQLKHY---NGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-TAEGSVWVSPSANIGYLTQEVFDLPLEQTPEELFENETF---KARGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQY----SGTLLAVSHDRYFLEKTTNSKLVISNNGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 1YQT Chain:A ((25-480)) -------EDCVHRYGVNAFVLYRLP-VVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKAVKGKVIELLKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDIIHVVYGEPG-VY-GIFSQPKGTR---------------N---GINEFLRGYLKD--------ENV-RFR---------P---YE---IKFTK-------TGE------RV-----EIERETLVTYPRLVKDYGS-FRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWD--LTVAYKPQYIK-ADYEGTVYELLSKIDASKLNSNFYKTELLKPLGII-DLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGEPG------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2170 -178211 -82.12 -438.94 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -82.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: