Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLQLKEKLVLITGSTSGIGKAAAKSFLQEGAAVIVNGRKQETVD---RTIEELSGYGTVHGAAADLSKTDEAAAFIEKV-NEIGDIDILVNNLGFFEVKDFADVTDEEWNQYFEVNVMSAVRTSRHFLPKMLAKNSGRILNIASEAGVKPLPTMIPYSMTKTALISLSRGMAEMTKGTNVTVNSVLPG----PTWTEGVASYMEGAAQAAGQDTDTFIKDYFK-VNEPTSLIQRYATAEEVANTIVFLASDAASAINGTAQRVEGGIIRSL 3AI2 Chain:G ((1-263)) MDMGISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLE-VAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELHVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIK--------TAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLKTL

General information: TITO was launched using: RESULT: Template: 3AI2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1349 -44380 -32.90 -174.72 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain G : 0.79 3D Compatibility (PKB) : -32.90 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3AI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AI2-query.scw PDB file : Tito_Scwrl_3AI2.pdb: