Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILKAENLYKTYG-DKTLFDHISFHIEENERIGLIGPNGTGKSTLLKVIAGLESIEEGEITKSG----------SVQVEFLHQDPELPAGQTVLEHIYSGESAVMKTLREYEKALYELGKDPENEQRQKHLLAAQAKMDANNAWDANTLAKTVLSKLGVN-DVTKPVNELSGGQKKRVAIAKNLIQPADLLILDEPTNHLDNETIEWLEGYLSQY--PGAVMLVTHDRYFLNRVTNRIYELERGSLYTYKGNYEVFLEKRAEREAQAEQKETKRQNLLRRELAWLRRGAKARSTKQKARIDRVETLKEQTGPQSSGSLDFAIGSHRLGKQVIEAENVMIAYDGRMLVDRFNELVIPGERIGIIGPNGIGKTTLLNALAGRHTPDGGDITIGQTVRIGYYTQDHSEMNGELKVIDYIKETAEVVKTADGDMITAEQMLERFLFPRSMQQTYIRKLSGGEKRRLYLLQVLMQEPNVLFLDEPTNDLDTETLSVLEDYIDQF----PGVVITVSHDRYFLDRVVDRLIVFEGNGVISRFQGSYSDYMEESKAKKAAPKPAAEEKTAEAEPKKKRKKLSYKDQLEWDGIEDKIAQLEEKHEQLEADIAAAGSDFGKIQELMAEQAKTAEELEAAMDRWTELSLMIEELES 3OZX Chain:A ((4-464)) -------EVIHRYKVNGFKLFGLPT-PKNNTILGVLGKNGVGKTTVLKILAGEIIPNFGDPNSKVGKDEVLKRFRGKEIYNYFKELYS-NELKIVHKIQYVEYA---------SKFL--------------KGTVNEI---LTKIDERGKKDEVKELLNMTNLWNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLIHIIYG-ESSVY-GRVSKSYAARVGIN-----------NF---LKGYLPA--ENMKIRPDEIKFMLK-----------------------LKTKMKWTKIIKKLGD-FQLVVDNGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPEK-QILSYKPQRIF-PNYDGTVQQYLENASKDAL--STSSWFFEEVTKRLNLHR-LLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRIIVFK-GEPE-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OZX.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 : 2369 -213275 -90.03 -492.55 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -90.03 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_3OZX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OZX-query.scw PDB file : Tito_Scwrl_3OZX.pdb: