Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNILRAMVILLIICGTYVLFIQYGSVPEKKSNDSEPQVSNEEAQSGKRIHMPTSGLLSFMGKHADEVTKKLG-EPERIDPSAYDYDWWVYNQGKDQYIQIGVLNNKVVTLFASG-NDIN-AKPFKIGESTGEVF-KT-----TQVAPFVNVEYK-----GNSY-RFEFSEEDINTRPTVKVGKMYVQLYMDKFEGKLSSIRAFDAQTFVKQRPYEVVYRGELIKPKAVSD-EKWKKIQTTSEKQILDLTNV-IRVKHGLAKLE-WDQPTAEVAFGHSEDM---KENNYFSHVSKKYGSLKDRLE-E---GHVDFQQAG-ENIAYNYVDGPAAVEGWLNSEGHRKALLNSDYTHLGVGVDRKYYTQNFIKRW 4U4E Chain:A ((3-383)) --TLSGKTAIVGVAESD-----QIGKVPDKPAIALHAEAALNALEEAGLTLRDVDGLLTA-GISPLELGEYLGIEPSYTDGTAVGSSFVIHLAHAAAAIVTGRCSVALITHGESGRSRVGMPPPVGAYALACSRHMAEYGTTKEQLAEIAVATRKWAMLNPKAYMRDPITIEDVLNSRPIVWPFNLLDCCLVTDAGGACVVTSIERARDLRQHPVAILGVGESHDHSIISQMPS---LTSFAARRSGQAAFKMAGVTHDDIDLAMIYDSFTYTVLLSLEDLGFCAKGEGGAFVSGQRTAPGGDFPMNTNGGGLSYTHPGMYGM-FAIIEAVRQLRHDYADQGIRQVPNCELAIVHGTGGVLSSAGTAILGRV

General information: TITO was launched using: RESULT: Template: 4U4E.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 : 2055 -78121 -38.01 -233.89 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -38.01 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_4U4E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U4E-query.scw PDB file : Tito_Scwrl_4U4E.pdb: