Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVINDLLNNPVQEQRFRG-EPRALILAPTRELALQIESDAKSLTKFSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC 3NBF Chain:D ((3-205)) ----FKDFPLKPEILEALHGRGLTTPTPIEAAALPLALEGKDLIGQA----GKTLAFALPIAERL--APSQE---RGRKPRALVLTPTRELALQVASELTAVA--PHLKVVAVYGGTGYGKQKEAL-LRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATP--PSRQTLLFSATLPSWAKRLAERYMKNPVLINV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NBF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1073 -61424 -57.25 -310.22 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.71 3D Compatibility (PKB) : -57.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_3NBF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NBF-query.scw PDB file : Tito_Scwrl_3NBF.pdb: