Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLQLKEKLVLITGSTSGIGKAAAKSFLQEGAAVIVNGRKQETVDRTIEELSGYGT--VHGAA--ADLSKTDEAAAFIEKVNEIGDIDILVNNLGFFEVKDFADVTDEEWNQYFEVNVMSAVRTSRHFLPKMLAKNSGRILNIASEAGVKPLPTMIPYSMTKTALISLSRGMAEMTKGTNVTVNSVLPGPTWTEGVASYMEGAAQAAGQDTDTFIKDYFKVNEPTSLIQRYATAEEVANTIVFLASDAASAINGTAQRVEGGIIRSL 2Q2V Chain:C ((2-253)) ----LKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPA--PALAEIARHGVKAVHHPADLSDVAQIEALFALAER--EFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTPLVQKQIDDR--------LQAQHDLLAEKQPS---LAFVTPEHLGELVLFLCSEAGSQVRGAAWNVDGGWL---

General information: TITO was launched using: RESULT: Template: 2Q2V.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 : 1348 -64060 -47.52 -265.81 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -47.52 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_2Q2V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q2V-query.scw PDB file : Tito_Scwrl_2Q2V.pdb: