Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVIN--DLLNNPVQEQRFRGEPRALILAPTRELALQIESDAKSLTK-FSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC 1VEC Chain:B ((5-202)) ----FEDYCLKRELLMGIFEMGWEKPSPIQEESIPIALSGRDILARAKNGTGKSGAYLIPLLERLDLKKDNIQ---------AMVIVPTRELALQVSQICIQVSKHMGGAKVMATTGGTNLRDDIMRLD-DTVHVVIATPGRILDLIKKGVAKVDHVQMIVLDEADKLLSQDFVQIMEDIILTLPK--NRQILLYSATFPLSVQKFMNSHLEKP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VEC.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 : 1020 -43392 -42.54 -222.52 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -42.54 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_1VEC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VEC-query.scw PDB file : Tito_Scwrl_1VEC.pdb: