Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNATLNYQPHWVREDFVDFVLQKINATWAWKRVLAEVTAVQSLHTDMVLIKLKPNRNFNFDQVRAGESILLTLLIDG-----------------------------VYQQRSYSIIEVT-TQGEIALGIKV-----------QGLVSRAAQLLHVGECVEISQPQGDFTLHQGQQPAILIASGSGVTAIYSLLQQALKQQ-L-EQIHVIYFNRA---EIFHAELKALAEQYPQLQYHFFNTTEQ--------KQHLTESLLQKLVP---DFEQTATYVCGHHGMMQQANEIYTQKGAQ-SQLHQEYFQPLQVTGTHAAQPVIFRRAQQEFLAETNLLGSAEQAGLRPQHGCRMGVCNKCSCTKVSGVTQNLLTGEIEDQPNRPIKLCVSQALSPVTIDL 4U9U Chain:A ((4-281)) ------------------------------KKWECTVISNDNKATFIKELKLAIPDG-ESVPFRAGGYIQIEAPAHHVKYADFDVPEKYRGDWDKFNLFRYESKVDEPIIRAYSMANYPEEFGIIMLNVRIATPPPNNPNVPPGQMSSYIWSLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHIFDQLKRLKSKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCGPPMMNAAVINMLKNLGVEEENILLDDFGG------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U9U.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 : 1115 -5010 -4.49 -22.77 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -4.49 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_4U9U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U9U-query.scw PDB file : Tito_Scwrl_4U9U.pdb: