Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFTTYTTFPEQTSNESLWILVDSEQLQSNLNTYQINNLESILTATQFKANFNETLPLFGQLSTQPHSQLLGLGKAAELQAAKLAKLAQTIIKSAQNKFKHIAIDIAALPVEYHYLFALSLTQAAYGYDEFKSTKNEFVLQQVDLISSQTSLDENQLALVHAVQSGQSYARDLGNRPGNICFPEYLAEQALALAAEFPDLLKVTVLNEQQMADLGMYAFLAVSKGSERPGRIVTLEYQAQLEQAPVVLVGKGVTFDTGGISLKPGLGMDEMKFDMCGAASVLGTIRALCEARLPIHVVGAIAAAENMPSGKATRPGDIVTTMSGQTVEILNTDAEGRLVLCDTLTYIKRFNPAVVIDIATLTGACVVALGKVLSGLFSPDDTLAAELQQAGEQSFDRVWRMPVIDDYQELLDSPFADIANIG-GPHGGAITAACFLERF-TRDYRWAHLDVAGTAWLS--GSAKGATGRPVPLLMQFLANRVSTNG 3IJ3 Chain:A ((26-482)) -----ADCYLTEKKKNFIPIQPMMPDELPDWLDTQDARTQQWVKASGFVGLAGTICSIPES-TGALQRVLLGVSDYEYS--WDFGGLSKVLPPG-----AFQLNRDDFEDDEYYERALLAFGLGSYQFNAYRKRSPY---------LAKLFLPQAHRKRVTDWLTTIYLIRDLINTPAEDMGPSELAQAVKHVAKEFE--AKVKIIESKDLETE-FPAIYAVGRAGSRPPLLIDLKW-GDIKAPKVTLVGKGVCFDSGGLDIKTPGGMLLMKKDMGGAAHALGLARMIMLQQLPVRLRLLIPAVENAIGSRSYRPGDVVQTRARKTIEITNTDAEGRVVLADALAEAVKEDPDLIIDFSTLTGAARIALGPNLPALFANQDSLAQALIDASLKTDDPLWRLPLFQPYRNYLKSEVADLTNSSQNRMAGAITAALFLQHFVSDQIPWAHFDIFAWNLEDLPGRPIGGEAMALRAVFHYLEQQYR---

General information: TITO was launched using: RESULT: Template: 3IJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2655 -267809 -100.87 -591.19 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -100.87 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3IJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IJ3-query.scw PDB file : Tito_Scwrl_3IJ3.pdb: