Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTENHLMIERQGKLGVITLDRVTHLNALSLDMIEGIGAQLELWRNDAAVQAILIKSNSPKAFCAGGDIRYLYD------SYKNGTADYKGYFSAEYKMLNTLREYEKPIIVVLDGYVLGGGFGLAQACHIVVSSEKSRFAMPETAIGFFPDVGATHFLSRLDDIGVYMAI----TGEQISSSDALYLDLIDYHVPSEQLQA----LQDALVEAPSLSKEGIEHIITRFITRPAESELKQLAEGI---RKHFGFQHLDEIEQSLENEQDESLKTWASKMLSILQQRSFIAKQTSLKLQHLGRGLSLQQCMQLERDLQDIWFEHGDFIEGVRALIVDKDKQPRWQERNPELEQILEKLS 2PBP Chain:A ((11-231)) ----------QEGAVGIIELARPDVLNALSRQMVAEIVAAVEAFDRNEKVRVIVLTGRG-RAFAAGADIQEMAKDDPIRLEWLNQFADW-----------DRLSIVKTPMIAAVNGLALGGGFELALSCDLIVASSAAEFGFPEVNLGVMPGAGGTQRLTKL--IGPKRALEWLWTGARMSAKEAEQLGIVNRVVSPELLMEETMRLAGRLAEQPPLALRLIKEAVQKAVDYP-------LYEGMQFERKNF----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PBP.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 : 1051 -86516 -82.32 -424.10 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -82.32 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_2PBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PBP-query.scw PDB file : Tito_Scwrl_2PBP.pdb: