Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVKDQTVFKHVNASVQQGD-IIGIIGKNGAGKSTLLHLI---------------HNDLAPAQGQILRKDIKLA------LVEQE--------------TAAYSFADQTPAEKKLLEKWHVP---LRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLD---EKSLQFLIQQLKHYNGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLN-IILGQETAEGSVWVSPSANIGYLTQEVFDLPLEQTPEELFENETFKA--RGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQY-SG---TLLAVSHDRYF-LEKTTNSK-LVISNNGIEKQLNDV-P-SER-NEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD------- 1YQT Chain:A ((24-538)) EEDCVHRYG-------VNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKAVKGKVIELLKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDIIHVVYGEPGVYGIF--------------SQPKGTRNGINEFLR------------------------------------------------GYLKDENVRFRPYEIKFTKTGERVEIERETLVTYPRLVKDYGS-FRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKI--EWDLTVAYKPQYIKADYEGTVYELLSKIDASKLNSNFYKTELLKPLGIIDLYDREVNE-LSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHD-VLMIDYVSDRLMVFEGEPGKYGRALPPMGMREGMN-------------------RFLASIGITFRRDPDTGRPRANKEGSVKDREQKEKGEYYYIA

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 : 2426 -120290 -49.58 -264.96 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -49.58 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.263

(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: