Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSASLQAIDIDDSIQLEQDGSILYLWLNRPESRNAMNLNMVNAIQQVFTAIRDDLSIRAVIIRGEGGTFCAGGDIKDMAALRVEATNVGSLQPYTDFNRRFGAMLEQVEAAPQTVVVILEGAVLGGGFGLACVSDVAISRDNAQFGLPETGLGVIP-AQIAPFVVKRIGLTQARRLALLGMRFEGHTALSVGVVHQIAHNEIELEQALHETIQHIKRAAPQASRVTKALLHRTLNEPLNELLDDAAQQFAQAVGGAEGQEGTMAFIQKRLPNWADES 2QQ3 Chain:A ((6-255)) --------------SIAARQEGAVGIIELARPDVLNALSRQMVAEIVAAVEAFDRNEKVRVIVLTGRGRAFAAGADIQEMA--KDDPIRLEWLNQFADWDR--------LSIVKTPMIAAVNGLALGGGFELALSCDLIVASSAAEFGFPEVNLGVMPGAGGTQRLTKLIGPKRALEWLWTGARMSAKEAEQLGIVNRVVSPELLMEETMR-LAGRLAEQPPLALRLIKEAVQKAVDYPLYEGMQFERKNFYLLFASEDQKEGMAAFLEKRKPRF----

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 A - contact count / total energy / energy per contact / energy per residue : 1215 -114176 -93.97 -458.54 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -93.97 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.371

(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: