Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELRQLSKAIDG-----NQVLKDVSLTIEKGEIFGLLGRNGSGKTTMLRLIQQIIFADSGTILFDGVEIKKH------PKVKQNIIYMPVQNP-FYDKYTYKQLVDILRRIYPKF---DVTYANELMNRYEIP---ETKKYRELSTGLKKQLSLVLSFAARPALILLDEPTDGIDAVTRHDVLQLMVDEVAERDTSILITSHRLEDIERMCNRIGFLEDNSLTNVMDLDELKEEYIKIQMAFDTDVNLAIREQNIPMLDQAGVFYTVLIPKSDEEKKSFLRELKPKVWNELPVNLEEVFIAKFGGKRRW 4HUQ Chain:A ((2-236)) AIAFEHVTYTYQAGTPMAHTALTDVSLTVPDRGYLAIIGHTGSGKSTLIQQLNALLKPTSGTIKIDEFTITPETTNAALKPLRQHVGMVFQFPENQLFEETVRQDIAFGPKNFGMADADALALADEMLTTVGLDQSYAERSPFELSGGQMRRVAIAGVLAMQPKVLVLDEPTAGLDPQGRQEMMRLFARLHQEQGLTIVLVTHQMEDVAQYAEQVAVMHEGRLMKFGTPADVFSN---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HUQ.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 : 1074 -1894 -1.76 -8.73 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -1.76 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.628

(partial model without unconserved sides chains): PDB file : Tito_4HUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HUQ-query.scw PDB file : Tito_Scwrl_4HUQ.pdb: