Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGMSLIQLTNVKKTFNGKNGNIQAVNDVSLNVEKGDIYGIVGYSGAGKSTLVRLLNGLELPTSGEVIVNDQDITKLKNKELRTFRKKIGMIFQHFNLLWSRTVLENIQL-PLELAGVPKSKRKERAEELLRLVGLEGRGQAYPSQLSGGQKQRVGIARALANDPEILLCDEATSALDPQTTEEVLDLLLAINKKLNLTIVLITHEMNVIRKICNKVAVMELGKVVEEGDVLTVFRQPKKEVTKRFVQQDIEPEADSTELLAELIKEHPSGRLATFDL 4YMU Chain:A ((1-238)) -----MIFVNDVYKNF----GSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGK-VNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSK-----------------------------

General information: TITO was launched using: RESULT: Template: 4YMU.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 : 1251 -76961 -61.52 -324.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -61.52 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: