Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRG---LEPGDRV-------------RAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRR--EYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELI---AASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG 5IGR Chain:A ((42-283)) ------------------------------TVDDGRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVP---DWRVANA-ELVAYPMLEDSTAMVIQPGSSTPDWVVPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREF--VVNDKRLHRWQRWLDDDSSWPDFSVV----VHGDLYVGHVLID-NTERVSGMIDWSEARVDDPAIDMAAHLMVFGEEGLAKLLLTYEAAGGRVWPRLAHHIAERLAFGAVTYALFALD-----------------

General information: TITO was launched using: RESULT: Template: 5IGR.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 : 906 -45664 -50.40 -206.62 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -50.40 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_5IGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igr-query.scw PDB file : Tito_Scwrl_5IGR.pdb: