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

General information: TITO was launched using: RESULT: Template: 5IGS.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 : 913 -44021 -48.22 -199.19 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -48.22 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_5IGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igs-query.scw PDB file : Tito_Scwrl_5IGS.pdb: