Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSVKDLSHGFGD-RAIFNNVSFRLLKGEHVGLIGANGEGKSTFMNIITGKLEPDEG--KVEWSKNVR--VGYLDQHTV-LEKGKSIRDVLKDAFHYLFAMEEEMNEIYNKMGEADPDELEKLLEEVGVIQDALTNNDFYVIDSKVEEIARGLGLSDIGLERDVTDLSGGQRTKVLLAKLLLEKPEILLLDEPTNYLDEQHIEWLKRYLQEY---ENAFILISHDIPFLNSVINLIYHVENQELTRYVGDYHQFMEVYEVKKQQLEAAYKKQQQEVAELKDFVARNKAR-VSTRNMAMSRQKKLDKMDMIELAAEKPKPEFHFKPARTSGKLIFETKDLVIGYDSPLSRPLNLRMERGQKIALYGANGIGKTTLLKSLLGEIQPLEGSVERGEHIYTGYFEQEVKETNNNTCIEEVWSEFP-S-YTQYEIRAALAKCGLTTKHIESRVSVLSGGEKAKVRLCKLINSETNLLVLDEPTNHLDADAKEELKRALKEY----KGSILLISHEPDFYMDIATETWNCESWTTKVL 1YQT Chain:A ((25-478)) ------EDCVHRYGVNAFVLYRLP-VVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDL------IPKAV-----------------KGKVIEL---LKKADETGKLEEVVKALELEN-VLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDIIHVVYGEPG-VY-GIFSQPKGTRN---------------GI---NEFLRGYLKDENVRFRPYE---IKFTK--------------T-GERVEIERETLVTYPRLVKDYGSFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDL--TVAYKPQYIKADYEGTVYELLSKIDASKLNSNFYKTELLKPLGII-DLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGE-----

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 : 2355 -189649 -80.53 -432.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -80.53 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.319

(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: