Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MIHKHETRELVAIEELVMSWI---EAFKSL-----SYFGIFLALSIEFIPAEVVLPLAGYWVSKGDMTLAGVVLAGSLGGVAGPLTLYW-----IGRYGGRPFLERFGKY---LFIKPEALDKSDNFFKKHGGFVAFSGRFLPGIRTLISIPCGIAKMNVWVFSLYTFIAMLPITFVYVYLGVKLGENWKAVGSILDQ-YMLPIGIAILALFLLYLLMKKRKKRTHSEQLSVFLKNKR----------------------------------------------------------------------- 4XZZ Chain:A ((24-339)) LNASDRLLEIMRLYQKQGLEMVGQKLDSYLADKSFWAEELQNKDTDFGYYQNKQFLFVANKSKPSLEFYEIENNMLKKINSSKA-LVGSKKGDKTLEGDLATPIGVYRITQKLERLDQYYGVLAFVTNYPNLYDTLKKRTGHGIWVHGMPLNGDRNELNTKGCIAIENPLLSSYDKVLKG-EKAFLITYEDKFFPSTKEELSMILSSLFQWKEAWARGDFERYMRFYNPNFTRYDGMKFNAFKEYKKRVFAKNEKKNIAFSSINVIPYPNSQNKRLFYVVFDQDYKAYQHNKLSYSSNSQKELYIEIENNQVSIIMEK

General information: TITO was launched using: RESULT: Template: 4XZZ.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 : 811 -90620 -111.74 -413.79 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -111.74 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_4XZZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XZZ-query.scw PDB file : Tito_Scwrl_4XZZ.pdb: