Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSASLQAIDIDDSIQLEQDGSILYLWLNRPESRNAMNLNMVNAIQQVFTAIRDDLSIRAVIIRGEGGTFCAGGDIKDMAALRVEATNVGSLQPYTDFNRRFGAMLEQVEAAPQTVVVILEGAVLGGGFGLACVSDVAISRDNAQFGLPETGLGVIPAQIAPFVVKRIGLTQARRLALLGMRFEGHTALSVGVVHQIAHNEIELEQALHETIQHIKRAAPQASRVTKALLHRTLNEPLNELLDDAAQQFAQAVGGAEGQEGTMAFIQKRLPNWADES 4K3W Chain:C ((7-271)) ------------CETLILEKQGPTLVITINRPDVRNAMSLQMVAELSTIFSEIENDISIRAAVLRGAGGHFCAGGDIKDMAGARSQKAGEGRDDPFYKLNRAFGQMIQQVNESSKVVIAITEGAVMGGGFGLACVSDLAIAGPTAKFGMPETTLGVIPAQIAPFVVERIGLTQARRLALLGLRIDATEACKLGIVHQVAESEEQLSDMLNQALERVRLCAPDATAETKALLHRVGHEAMAGLLDDAAEKFAAAIRGPEGAEGTMAFMQKREPKWAEL-

General information: TITO was launched using: RESULT: Template: 4K3W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1264 -143870 -113.82 -542.91 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.87 3D Compatibility (PKB) : -113.82 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4K3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K3W-query.scw PDB file : Tito_Scwrl_4K3W.pdb: