Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSIISKHKAYFAAGHTRPLESRLNILRKLKQAVRTHEADLIAALYQDLHKSEQEAYSTEIGIVLEEISFVMKRLRKWSKPKRVKTPLTHLGSKSIIIPEPYGTVLVIAPWNYPLQLALSPLIGAIAAGNTVVLKPSEYTPAVSAILSKLISSV-FPTDYVAMAEG-GPDVSTALLQQ-PFDYIFFTGSVAVGKIVMEAAAK-QLIPVTLELGGKSPCIVHKDADIQLAAKRIVFGKFTNAGQTCIAPDYLFVHEDIKTKLTEE-MKRAIREFYG----PQPERNPQYGKIVSERHYQRLLSFLNDG------IPLTGGQSDPNHHKIAPTILEQVRDDSPVMQEEIFGPILPLFTYRNIGEVIEKVQSRPKPLALYLFTTNKEIERAVLGNLSFGGGCVNDTLMHVATPYLPFGGVGESGIGSYHGFDSFNTFTHKKSVVKQTNRFDFAFRYPSSKNGLRMIRKILK 5AC2 Chain:A ((158-492)) ------------------------------------------------------------------------------------------------------EPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQ----IDKEQYDKILDLIESGKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKRANNTFYGLSAGVFT--KDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGEYGFHEYTEVKTV----------------------------

General information: TITO was launched using: RESULT: Template: 5AC2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1776 -21276 -11.98 -66.49 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -11.98 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_5AC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AC2-query.scw PDB file : Tito_Scwrl_5AC2.pdb: