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

General information: TITO was launched using: RESULT: Template: 3FFU.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 : 541 -33930 -62.72 -280.41 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -62.72 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3FFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FFU-query.scw PDB file : Tito_Scwrl_3FFU.pdb: