Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEFETNIDGLASIKVIGVGGGGNNAVNRMIENEVQGVEYIAVNTDAQALNLSKAEVKMQIGAKLTRGLGAGANPEVGKKAAEESKEQIEEALKGADMVFVTAGMGGGTGTGAAPVIAQIAKDLGALTVGVVTRPFTFEGRKRQLQAAGGISAMKEAVDTLIVIPNDRILEIVDKNTPMLEAFREADNVLRQGVQGISDLIATPGLINLDFADVKTIMSNKGSALMGIGIATGENRAAEAAKKAISSPLLEAAIDGAQGVLMNITGGTNLSLYEVQEAADIVASASDQDVNMIFGSVINENLKDEIVVTVIATGFIEQEKDVTKPQRPSLNQSIKTHNQSVPKREPKREEPQQQNTVSRHTSQPADDTLDIPTFLRNRNKRG 4U39 Chain:B ((3-304)) ------------SIKVIGVGGGGNNAVNRMIENEVQGVEYIAVNTDAQALNLSKAEVKMQIGAKLTRGLGAGANPEVGKKAAEESKEQIEEALKGADMVFVTAGMGGGTGTGAAPVIAQIAKDLGALTVGVVTRPFTFEGRKRQLQAAGGISAMKEAVDTLIVIPNDRILEIVDKNTPMLEAFREADNVLRQGVQGISDLIAT-------FADVKTIMS--GSALMGIGIAT----AAEAAKKAISSPLLEAAIDGAQGVLMNITGGTNLSLYEVQEAADIVASASDQDVNMIFGSVINENLKDEIVVTVIATG--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U39.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 : 1945 -214413 -110.24 -741.91 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.92 3D Compatibility (PKB) : -110.24 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_4U39.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U39-query.scw PDB file : Tito_Scwrl_4U39.pdb: