Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILKAENLYKTYG-DKTLFDHISFHIEENERIGLIGPNGTGKSTLLKVIAGLESIEE--GEITKSGSVQV--EFLHQDPE-LPAGQTVLEHIYSGESAVMKTLREYEKALYELGKDPENEQRQKHLLAAQAKMDANNAWDANTLAKTVLSKLGVN-DVTKPVNELSGGQKKRVAIAKNLIQPADLLILDEPTNHLDNETIEWLEGYLSQY---PGAVMLVTHDRYFLNRVTNRIYELERGSLYTYKGNYEVFLEKRAEREAQAEQKETKRQNLLRRELAWLRRGAKARSTKQKARIDRVETLKEQTGPQSSGSLDFAIGSHRLGKQVIEAENVMIAYDGRMLVDRFNELVIPGERIGIIGPNGIGKTTLLNALAGRHTPDGGDITIGQTVRIGYYTQDHSEMNGELKVIDYIKETAEVVKTADGDMITAEQMLERFLFPRSMQQTYIRKLSGGEKRRLYLLQVLMQEPNVLFLDEPTNDLDTETLSVLEDYIDQF----PGVVITVSHDRYFLDRVVDRLIVFEGNGVISRFQGSYSDYMEESKAKKAAPKPAAEEKTAEAEPKKKRKKLSYKDQLEWDGIEDKIAQLEEKHEQLEADIAAAGSDFGKIQELMAEQAKTAEELEAAMDRWTELSLMIEELES 1YQT Chain:A ((25-479)) ------EDCVHRYGVNAFVLYRLP-VVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVD----------LIPKA-----------VKGKVIE---LLKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDIIHVVYGEP-----GVYGIFSQPKGTRN---------------GINEFLRGYLKDEN----V---RFRPYEIKFTK-T--GERV----EIERETLVTYPRLVKDYGS-FRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDL--TVAYKPQYIKA-DYEGTVYELLSKIDASK---LNSNFYKTELLKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFE-GEP------------------------------------------------------------------------------------------------------------------

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 : 2386 -208098 -87.22 -471.88 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -87.22 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.387

(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: