Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSRKVVIVGTGFVGTSIAYAMINQGISNELVLIDVNQEKAEGEALDLLDGMAWGDENVAVWSGGYEECKDADIVVITAGINQKPGQSRLDLVKTNASIMRQIVKEIMGSGFDGIIVVASNPVDILTYIAWNESGLPTSRVIGTGTTLDTTRFRKEIALKLKVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPVFEI-VEKDHRIAQDELDVIADKVRNAAYEIIDRKKATYYGIGMSTARIVKAILNNEQAVLPVSAYLTGEYD-EKDIFTGVPSIVDENGVREVVELSINEEEKAMFSKSTSALREVLNTVL 1I0Z Chain:B ((20-326)) ----NNKITVVGVGQVGMACAISILGKSLADELALVDVLEDKLKGEMMDLQHGSLFLQTPKIVADKDYSVTANSKIVVVTAGVRQQEGESRLNLVQRNVNVFKFIIPQIVKYSPDCIIIVVSNPVDILTYVTWKLSGLPKHRVIGSGCNLDSARFRYLMAEKLGIHPSSCHGWILGEHGDSSVAVWSGVNVAGVSLQELNPEMGTDNDSENWKEVHKMVVESAYEVIKLKGYTNWAIGLSVADLIESMLKNLSRIHPVSTMVKGMYGIENEVFLSLPCILNARGLTSVINQKLKDDEVAQLKKSADTLWDI-----

General information: TITO was launched using: RESULT: Template: 1I0Z.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 : 1753 -130092 -74.21 -426.53 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -74.21 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_1I0Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1I0Z-query.scw PDB file : Tito_Scwrl_1I0Z.pdb: