Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKMPKPIVDVAIAILIHRGKILVGWRGEQQHQGGKHEFPGGKVEQGETPEEACRREIYEEVGIGLKDWHQFDYIHHEYDDIIVNLHLFHS--YVPDELLNLIHQPWTWYTREQLLHLNFPKANKDIIKRLYWPHFIKISHTLTSVANSDALLYWRIEDEFGPREVEQLTALVEGQRSNLIINVDIWQQLNSELKKQIKTVHLKQSQLMSLHKGDLEVGIRFIAACHDAVSLQHAQQIGCDAVFVSPVKVTATHPDVSALGWDRFADLIEKCQIPVFALGGMSPDDLATAQQRGAYGLAGIRNF 3EF5 Chain:B ((22-144)) ---------IPVVAGFLRKDGKILVGQRPE----AGQWEFPGGKIENGETPEEALARELNEELGIEAEVGELKLACTHSYGDVGI-LILFYEILYWKGEPRAKHHMMLEWIHPEELKHRNIPEANRKILHKIY----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3EF5.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 : 524 -39177 -74.77 -334.85 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -74.77 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3EF5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EF5-query.scw PDB file : Tito_Scwrl_3EF5.pdb: