Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSDINQMNMTTANTARLLITCEDKPGIVQAVSSFLYHQGANITALDQYATEAQGGRYFMRVEFELDHLQSRKDALIQTFAANVAERYGMQWRLAFVNDIKKVGILVSKVDHALLELLWRHARGSLPCEITHVISNHEDLREAV--ENFGILFTVIKVTKDNKAEAYAQIHEMMQGND--LLVLARYMQILSEDFVSKWEMKIINIHHSFLPAFVGANPYKQAYEKGVKLIGATAHYVTADLDQGPIIEQDVERVSHDYNVEQLRELGEDVERNVLARAVKWHLEDRIIVDGNKTVVF 3KCQ Chain:C ((10-200)) -------------------------------------------------------------------------------------------------------RVGVLISGRGSNLEALAKAFSTEESSVVISCVISNNAEARGLLIAQSYGIPTFVVK----RKPLDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDDGTV--

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 C - contact count / total energy / energy per contact / energy per residue : 926 -69758 -75.33 -373.04 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.67 3D Compatibility (PKB) : -75.33 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.475

(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: