Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHVETKLAQIGNRSDEVTGTVSAPIYLSTAY--------RHRGIGESTGFDYVRTKNPTRQLVEDAIANLENGARGLAFSSGMAAIQ-TIMALFKSGDELIVSSDLYGGTYRLFENEWKKYGLTFHYDDFSDEDCLRSKITPNTKAVFVETPTNPLMQEADIEHIAR-ITKEHGLLLIVDNTFYTPVLQRPLELGADIVIHSATKYLGGHNDLLAGLVVVKDERLGE-EMFQHQNAIGAVLPPFDSWLLMRGMKTLSLRMRQHQANAQELAAFLEEQEEISDVLYPG----------------KGGMLSFRLQKE-EWVNPFLKALKTICFAESLGGVESFITYPATQTHMDIPEEIRIANGVCNRLLRFSVGIEHAEDLKEDLKQALCQVKEGAVSFE 1E5E Chain:B ((23-392)) --------------------GAAIPPIYQTSTFVFDNCQQGGNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVVVHSATKYINGHTDVVAGLICGKADLLQQIRMVGIKDITGSVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYLKSHPAVEKVYYPGFEDHEGHDIAKKQMRMYGSMITFILKSGFEGAKKLLDNLKLITLAVSLGGCESLIQHPASMTHAVVPKEEREAAGITDGMIRLSVGIEDADELIADFKQGL-----------

General information: TITO was launched using: RESULT: Template: 1E5E.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 : 2023 -238535 -117.91 -697.47 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -117.91 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_1E5E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E5E-query.scw PDB file : Tito_Scwrl_1E5E.pdb: