Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKERFQMKKYQWGIVGLGTIAHEFAESFNQE--TSELTAVASRTSEKAENFAHRYNIPKAYGSYQEMLDDAEIDIVYIAVPNRQHIDHILAALEAGKHVLCEKAITMNKKELADAMRLAEEK-NLILAEAMTIFNMPLYQQLRSIMDTGKLGALKMIQAPFGSYKE-PDP-KNRFFNPELAGGALLDIGTYAVSFARFFLSSQPEVV-ASTM-VP----FETGVDEQSVTILRNKENELAAVSLTFQA--KMPKVGIVAFENGYVTIADYPRADRAEILFTDGTKEF-IESG--NTSEAMNYEIKNMVHMIEGDLPN-RSLFLTKDVIEILDQMQVLWKNM 3CEA Chain:D ((7-337)) -------KPLRAAIIGLGRLGERHARHLVNKIQGVKLVAACALDSNQLEWAKNELGVETTYTNYKDMIDTENIDAIFIVAPTPFHPEMTIYAMNAGLNVFCEKPLGLDFNEVDEMAKVIKSHPNQIFQSGFMRRYDDSYRYAKKIVDNGDIGKIIYMRGYGIDPISGMESFTKFA-TEADSGGIFVDMNIHDIDLIRWFTGQDPVQAYGLTSNIAAPQLADIGEFETGVAQLKMSDGVIATLIGGRHAAHGNQVELEVMGSNGWVRIGEHPDLNRVTVFNDQGVVRPSLQSFGERFDTAFTDEVQDFVNNVIVGKQPEVTVDDGIKALKIAKACQQSAN--

General information: TITO was launched using: RESULT: Template: 3CEA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1638 -27693 -16.91 -88.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.70 3D Compatibility (PKB) : -16.91 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3CEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CEA-query.scw PDB file : Tito_Scwrl_3CEA.pdb: