Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTGDPTDAEVREIGILAGNQRATCDDRAYFQAAAERLAMLPDASEPDVPVLLLEQHYGQQ----G---ALTAL-SSEVERTFDARLADG---RAFILKTSSRPQALESFQFQSAALAGLRGADGVMAPKVIDTLSGGLMFEHEGGCGYLQTRMDGIPLHMVP-RTPEILREVGAALARLNLAMKDTDPPAA---RRPVLWN-IACWP-WLVELERYL--SKGRTAKLVRSAMAEYIRDIS--------------PHIADLDWQVTHNDPSPFNMIDTGKGIGFIDFGDGGWNPRVQDLAIAAGHFVIDPR--------------TPLGGAEHVIAGYASLAPLSELEASLLLGLMRARQSALVLINNWRSHLFPAAAPYIMKNVKRAEQGLAVLALLDVSSGEAAIRAAAGLDPP 3MES Chain:B ((50-352)) -----------------------------------------------DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-FYDSKVELDVFRYLSNI-NIA-PNIIADFP----------EGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQE-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MES.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 874 -11848 -13.56 -49.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -13.56 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: