Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLEIKNLHVSIEEKEILKGVNLTMKTGEIHAIMGPNGTGKSTLSAAIMGNPNYEVTEGEILFDGKNVLDLEVDERARLGLFLAMQYPSEIPGITNAEFMRAAINAKRDENDKISVMAFLKKLDEKMALLNMPEEMAERYLNE----GFSGGEKKRNEILQLLMLEPTFAILDEIDSGLDIDALKVVAKGVNEMRGDNFGALIITHYQRLLNYITPDVVHIMMEGRVVMTGNAD--LAKRLEAEGYAGISKELGIDYKEEEA 5X5Y Chain:B ((2-236)) -ATLKAQHLAKSYKGRQVVRDVSMSIDSGQIVGLLGPNGAGKTTCFYMIVG--LVQADQGVVRIDEQNVTHLPMHGRARAGIGYLPQEASIFRKLSVSDNIMAILETRSD----------LDRNGRKEALEGLLQEFHIHHIRDNLGMSLSGGERRRVEIARALASAPKFILLDEPFAGVDPISVGDIKQIIHHLKAKGIGILITDHNVRETLDIC-ETAYIVNDGQLIAEGDAESILANDLVKEVYLG--------------

General information: TITO was launched using: RESULT: Template: 5X5Y.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 : 1156 -55174 -47.73 -240.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -47.73 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_5X5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X5Y-query.scw PDB file : Tito_Scwrl_5X5Y.pdb: