Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLRTLCVLMILSGVIFFGLKIDAKDIDIPFLNSLKKVVSDSDTDSAANSKKELKGSAKPLDVILYNQMDAPRLYNGCEVTSLAMVLNYAGYDVT-----KNTLANQVATVPLTYSSGLKGDPNDGFVGDMANGPGLGVYHRPIYQLAKTYAGDKVSDL--TGKSI----SAVYQQLE-KGNPVWVITTANFTPVDNMQTWKTPNGTIEITYSEHSVAVTGYDD--KYVYLNDPYGY--KNRKTDRTSFEKAWKQMGSQAVVIQK 2BU3 Chain:A ((78-233)) ---------------------------------------------------------------------------QAYCGVASIIMVLNSLGINA-YRVFTQDNFFS---TKA--------VIA-PEVV------ARQGMTLDELGRLIASYGV-KVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRKE---------------IGQERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMN-----------

General information: TITO was launched using: RESULT: Template: 2BU3.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 : 492 -21647 -44.00 -167.81 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -44.00 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_2BU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BU3-query.scw PDB file : Tito_Scwrl_2BU3.pdb: