Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTENHLMIERQGKLGVITLDRVTHLNALSLDMIEGIGAQLELWRNDAAV-QAILIKSNSPKAFCAGGDIRYLYDSYKNGTADYKGYFSAEYKMLNTLREYEKPIIVVLDGYVLGGGFGLAQACHIVVSSEKSRFAMPETAIGFFPDVGATHFLSRLD--DIGVYMAITGEQISSSDALYLDLIDYHVPSEQLQALQDALVEAPSLSKEGIEHIITRFITRPAESELKQLAEGIRKHFGFQHLDEIEQSLENEQDESLKTWASKMLSILQQRSFIAKQTSLKLQHLGRGLSLQQCMQLERDLQDIWFEHGDFIEGVRALIVDKDKQPRWQERNPELEQILEKLS 2QQ3 Chain:K ((2-257)) -SEFVSIAARQEGAVGIIELARPDVLNALSRQMVAEIVAAVEAFDRN-EKVRVIVLTGRG-RAFAAGADIQEMAKDDPIR-----LEWLNQFADWDRLSIVKTPMIAAVNGLALGGGFELALSCDLIVASSAAEFGFPEVNLGVMPGAGGTQRLTKLIGPKRALEWLWTGARMSAKEAEQLGIVNRVVSPELL---ME--------------------------------------------------------------ETMRLAGRLAEQPPLALRLIKEAVQKAVDYPLYEGMQFERKNFYLLFASEDQKEGMAAFLEKR--KPRFQG-------------

General information: TITO was launched using: RESULT: Template: 2QQ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 1232 -47790 -38.79 -188.89 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain K : 0.70 3D Compatibility (PKB) : -38.79 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.419

(partial model without unconserved sides chains): PDB file : Tito_2QQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QQ3-query.scw PDB file : Tito_Scwrl_2QQ3.pdb: