Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKIAVLVSGNGSNLQALIDANLSGQ----IVGVLSNKADAYALERAQNANIATAVISHKDFPSREDFD-EAMHQQLIAWQADVVILAGFMRILTANFVDKWQGKMLNIHPSLLPAYKGVNTHQRVLNTGDRLHGCTVHFVTSELDAGQAIAQSAIEVKEHDNVASLAERVHKLEHFIYPQVAEWLCNGQLTWKNGQAYFRNQILEHPIRFASW 3KCQ Chain:D ((9-182)) -LRVGVLISGRGSNLEALAKAFS---SSVVISCVISNNAEARGLLIAQSYGIPTFVVK------RKPLDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPK---------------------------------

General information: TITO was launched using: RESULT: Template: 3KCQ.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 : 806 -30264 -37.55 -182.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -37.55 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3KCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KCQ-query.scw PDB file : Tito_Scwrl_3KCQ.pdb: