Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHNPNIIWHPAAISKSDRQSLNGHKSCVLWFTGLSGSGKSVLANAVDEKLYRKGIQSYVLDGDNIRHGLNKDLGFQTGDRIENIRRIGEVAKLFVDSGQMILTAFISPFREDRDMVRALFPKGEFFEIYVKCPLHVCEQRDPKGLYKKARNGEIKHFTGIDSPYEAPLSPDFIIESDQTSISDGADLIINALQNRGII 3UIE Chain:C ((10-198)) -----------CSVEKVDRQRLLDQKGCVIWVTGLSGSGKSTLACALNQMLYQKGKLCYILDGDNVRHGLNRDLSFKAEDRAENIRRVGEVAKLFADAGIICIASLISPYRTDRDACRSLLPEGDFVEVFMDVPLSVCEARDPKGLYKLARAGKIKGFTGIDDPYEPPLNCEISLG---TSPIEMAEKVVGYLDNKGYL

General information: TITO was launched using: RESULT: Template: 3UIE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 931 -107099 -115.04 -578.91 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.87 3D Compatibility (PKB) : -115.04 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3UIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UIE-query.scw PDB file : Tito_Scwrl_3UIE.pdb: