Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFSGSSMSEQIFIQGPVGKIELFVDRPEGEIKGFAVVCHPHPLQGGTPQHKVPALLTQIFNEYGCIVYRPSFRGLGGSEGVHDEG--HGETEDILAVIEHVRKLHAGLPFYAGGFSFG--SHVLAKCHAQ-----LSPELQPVQLILCGLPTATVVGLRH-----------YKTPEIQGD--------------------ILLIHGEQDDITLLSDAIEWAKPQKH-PITILSGANHFFTGYLKQLRQIITRFIIMK 2WTN Chain:A ((12-246)) -------------------KLNAYLDMPKNNPEKCPLCIIIHGFTGHSEERHIVAV-QETLNEIGVATLRADMYGHGKSDGKFEDHTLFKWLTNILAVVDYAKKLDFVTDIYMAGHSQGGLSVMLAAAMERDIIKALIP-LSPAAMIPEIARTGELLGLKFDPENIPDELDAWDGRKLKGNYVRVAQTIRVEDFVDKYTKPVLIVHGDQDEAVPYEASVAFSKQYKNCKLVTIPGDTHCYDHHLELVTEAVKEFML--

General information: TITO was launched using: RESULT: Template: 2WTN.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 : 1035 -34425 -33.26 -177.45 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -33.26 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_2WTN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WTN-query.scw PDB file : Tito_Scwrl_2WTN.pdb: