Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNR--EGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLRE----DLL---IEVEKLAKDGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 3P32 Chain:A ((78-233)) --NAHRVGITGVPGVGKSTAIEALGMHLIERGHRVAVLAVD--------------------MARLAVHPNAYIRPSP--GTLGGVTRATRETVVLLEAAGFDVILIETVGVGQSEV--A--------------VANMVDTFVLLTLARTGDQ-L---------------------QGIKKGVLELADIVVVNKADGEHHK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3P32.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 : 596 -88252 -148.07 -684.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -148.07 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3P32.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P32-query.scw PDB file : Tito_Scwrl_3P32.pdb: