Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNR--EGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDL----LIEVEKLAKDGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 2WWW Chain:A ((73-232)) --LAFRVGLSGPPGAGKSTFIEYFGKMLTERGHKLSVLAVDP--------------------TELSRDMNAYIRPS-----TRTTNEAILL-CEGAGYDIILIETVGV--SEF---AV-------------ADMVDMFVLLLPPA----------------------------------IEMADLVAVTKSDGDLI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WWW.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 : 508 -77413 -152.39 -703.75 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -152.39 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_2WWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WWW-query.scw PDB file : Tito_Scwrl_2WWW.pdb: