Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRIGSHVSMSGKHMLLA-----ASQEAVSYGANTFMIYTGAPQNTRRKKIEDLNIEAG---RAHMQENGID--EIIVHAPYIINIGNTTNPSTFELGVDFLRSEIERTAAIGAKQIVLHPGAHVGAGAEAGIKKIIEGLNEVIDPNQNVQIALETMAGKGSECGRSFEELAQIIEGVTHNEQLSVCFDTCHTHDAGYNIV--EDFDGVLNEFDKIIGIDRIKVLHINDSKNVKGARKDRHENIGFGEIGFDALQYVVHHEQLKDIPKILETPYVGEDKKNKKPPYRFEIEMLKEKQFDDTLLEKILQQ 4HNO Chain:A ((4-265)) -------MIKIGAHMPISKGFDRVPQDTVNIGGNSFQIF---PHNARSWSAKLPSDEAATKFKREMKKHGIDWENAFCHSGYLINLASPKD-DIWQKSVELLKKEVEICRKLGIRYLNIHPGSHLGTGEEEGIDRIVRGLNEVLNNTEGVVILLENVSQKGGNIGYKLEQLKKIRDLVDQRDRVAITYDTCHGFDSGYDITKKEGVEALLNEIESLFGLERLKMIHLNDSKYPLGAAKDRHERIGSGFIGEEGFAVFFSFKEIQEVPWILETP------------------------------------

General information: TITO was launched using: RESULT: Template: 4HNO.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 : 1312 57369 43.73 229.48 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 43.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_4HNO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HNO-query.scw PDB file : Tito_Scwrl_4HNO.pdb: