Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKMPKPIVDVAIAILIHRG-KILVGWRGEQQHQGGKHEFPGGKVEQGETPEEACRREIYEEVGIGLKDWHQFDYIHHEYDDIIVNLHLFH-SYVPDELLNLIHQPWTWYTREQLLHLNFPKANKDIIKRLYWPHFIKISHTLTSVANSDALLYWRIEDEFGPREVEQLTALVEGQRSNLIINVDIWQQLNSELKKQIKTVHLKQSQLMSLHKGDLEVGIRFIAACHDAVSLQHAQQIGCDAVFVSPVKVTATHPDVSALGWDRFADLIEKCQIPVFALGGMSPDDLATAQQRGAYGLAGIRNF 3A6V Chain:B ((4-126)) ---------LQIAVGIIRNENNEIFITRR--------KLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3A6V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 500 -3763 -7.53 -33.30 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -7.53 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.391

(partial model without unconserved sides chains): PDB file : Tito_3A6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A6V-query.scw PDB file : Tito_Scwrl_3A6V.pdb: