Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEELKDRIEDKYGSLRSLDSDSVGMAHDIFFLEFQDGKEMVLKVGG---EDLGFRFEREPYVLDWLADANLSVPEVVEFEINRGEEELSYLLMDKIEGQNINSYSEGRKFKFLSERAKEKLVNESAKQLNSIH--NSTSYPNFGAFRAKMEKQYESNRWSETLLQILRKNELGGIEKGEFSHLHSKAESFLKENLSQLNTDSRPVMVHQDFSFKNMIVQGGEIRAVIDWERAISGHRELDLFKFERSISSKFRTKSIGEKYGELLIQKYQSEHSLESGWEERRNIYMLISLLQTMWTYDDWSKNIPQKIRKKIKENMEKEFENRVSKRQTDIFQHME 2BKK Chain:A ((6-245)) ISPELKKLIE-KYRSVK----DTEGMSPAKVYKLVGENENLYLKMTDSRYKGTTYDVEREKDMMLWL-EGKLPVPKVLHFERHDG---WSNLLMSEADGVLCSE-------EYEDEQSPEKIIELYAECIRLFHSIDISDCPYTNSLDSRLAE-----------LDYLLNN---------------KDPRELYDFLKTEKPEEELVFSHGDLGDSNIFVKDGKVSGFIDLGRSGRADKWYDIAFCVRSIREDIGEEQYVELFFDLL------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BKK.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 : 938 20981 22.37 95.80 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 22.37 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_2BKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2bkk-query.scw PDB file : Tito_Scwrl_2BKK.pdb: