Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLRNSDRTREEILTRYFPQYR-----LIAPQAP-SGLGGASCIIEQGE----QRLVLRQNHDPLASSSHFRRQFRALKR-LPADLVPKPRFYRQGWMAVEYLAGEIGNTLP-----ETAVLAAMLCHLHRQPRLGWR----VT----LLPLLEQYWQQASAD-----RR----TPFWLAQLKRLRK----------------TGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDD--------------------AA-RQRLITDYARVAHMN--------ADALRRQVRRWRPWVVMLMAGWFEMRFQQS-RDKQFIALADDAWRQLQTKG 3MES Chain:B ((50-400)) -----DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--FYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFT------

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 : 956 -37877 -39.62 -147.96 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -39.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.417

(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: