Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAHVPSGPDELTPEWLSRALGAEVTSVSWERVGSGQIGACYRLTLKGEEKVPARLVAKMASEDPTTRAFLASAYRTEVLFYRDVVPTVAVRTPRCHYQAIADDNSAFVLLLEDMAPAEQGDQLAGCTPQQAAAAVTNLAGLHGPRWCDKTLTE-IPWLSVVTEDDAAVLTEVFAPAVDAFVQRFTGRLSDEDIDTLRRVADRIA--------A----WAVARPERFGLVHGDYRLDNLLFAPPPQQTVTAVDWQTLSIGHPVRDLSFFLGTAMDPAER---------------SAHERALVETYHTALTGYGVDDYDLQSCWEDYRFGALQGPLITVLGCAVGTPTERGDRMFLAMTRRSCAAIRELGSLELI 3MES Chain:B ((74-350)) ----------------------------EVKQIFSGLTNQLFVVSIVNE-LKHPRILFRIYGKHV------FYDSKVELDVFRYLSNI-NIA-PNIIADFP------EGRIEEFIDGEPLTTK-QLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIY-LWREEAKIQVSKNN-QIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ---NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTL----------------------------------------------------------------

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 : 826 -34038 -41.21 -146.08 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -41.21 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.164

(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: