Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIVEDAGSLDVFRWPSSSPPSPENLEHAARLCQGALGSTSV----AVVATPYNHAGWSAQDCIKVSFPSEN---RSFIAKVPRLVDENSATACKNEAQRASWASQHQIGPAVIAIDDLSGAFAMEFLSGQTLSAQMMLQDHLKTCTIGLLRRIHDAPSQHY-----MQ----IYNAPAAVKRMLQAADKE--RLLDGDDGLLLESLITWTFQK------------VG-CQPTFQTLVPCHNDFHSQNIMLDQQGTLWAIDFEDCDLGDPMWDLGYLTANMGLE------------------PL--D-LAGIY-GCNME-----------Q-KKRLEVFYYLAIGHCAVWSAIHGPL--WTQHYRDCMLRLRRGWLRL 3MES Chain:B ((50-404)) -------------------------DTEIIIGICRKNIPGWKEINESYIEVKQIF-SGLT-NQLFVVSIV-NELKHPRILFRIYGKHV--FY-DSKVELDVFRYLSNINIAPNIIADFP--EGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA----SVEFDFTEYANTRFTHYLQ--

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 : 1021 -33970 -33.27 -124.89 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -33.27 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.235

(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: