Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQP---RRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTR--NILTAEDPIEYQLEG----IGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDM------GIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA 3JVV Chain:C ((3-277)) --------------------------------------------------------------------------------------------------------------------ITELLAFSAKQGASDLHLSA---GLPPMIRVDGDVRRINLPPLEHKQVHALIYDIMNDKQRKDF-EEFLETDFSFEVPGVAR---FRVNAFNQNRGAGAVFRTIPSKV--LTMEELG-MGEVFKRVSDV---PRGLVLVTGPTGSGKSTTLAAMLDYLN-NTKYHHILTIEDPIEFVHESKKCLVNQREVHRDT-LGFSEALRSALREDPDIILVGEMRDLETIRLALTAAETGHLVFGTLHTTSAAKTIDRVVDVFPAEEKAMVRSMLSESLQSVISQTLIKKI---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3JVV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1190 -7508 -6.31 -29.44 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -6.31 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_3JVV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JVV-query.scw PDB file : Tito_Scwrl_3JVV.pdb: