Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLQLKEKLVLITGSTSGIGKAAAKSFLQEGAAVIVNGRKQETVDRTIEELSGYGT--VHGAA--ADLSKTDEAAAFIEKVNEIGDIDILVNNLGFFEVKDFADVTDEEWNQYFEVNVMSAVRTSRHFLPKMLAKNSGRILNIASEAGVKPLPTMIPYSMTKTALISLSRGMAEMTKGTNVTVNSVLPGPTWTEGVASYMEGAAQAAGQDTDTFIKDYFKVNEPTSLIQRYATAEEVANTIVFLASDAASAINGTAQRVEGGIIRSL 2Q2V Chain:B ((2-253)) ----LKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPA--PALAEIARHGVKAVHHPADLSDVAQIEALFALAER--EFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTPLVQKQIDDRA-A--GDPLQAQHDLLAEKQPS---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 B - contact count / total energy / energy per contact / energy per residue : 1363 -59045 -43.32 -240.02 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -43.32 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.526

(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: