Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEELKDRIEDKYGSLRSLDSDSVGMAHDIFFLEFQDGKEMVLKVGGEDLGFRFEREPYVLDWLADANLSVPEVVEFEINRGEEELSYLLMDKIEGQNINSYSEGRKFKFLSERAKEKLVNESAKQLNSIHNS--TSYPNFGAFRAKMEKQYESNRWSETLLQILRKNELGGIEKGEFSHLHSKAESFLKENLSQ------LNTDSRPV---MVHQDFSFKNMIVQGGEIRAVIDWERAISGHRELDLFKFERSISSKFRTKSIGEKYGELLIQKYQSEHSLESGWEERRNIYMLISLLQTMWTYDDWSKNIPQKIRKKIKENMEKEFENRVSKRQTDIFQHME 3W0M Chain:A ((17-223)) ----------EKFGSVSDLMQLSEGEESRAFSFDV-GGRGYVLRVNSCADGFYKDR--YVYRHFASAALPIPEVLD--IGEFSESLTYCISRRAQGVTLQD---------LPETELPAVLQPVAEVMDAIAAADLSQTSGFGPFGPQGIGQYTTWR-----------DFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFG------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W0M.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 : 648 -34118 -52.65 -174.07 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -52.65 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.228

(partial model without unconserved sides chains): PDB file : Tito_3W0M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0m-query.scw PDB file : Tito_Scwrl_3W0M.pdb: