Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNR--EGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLRED----LLIEVEKLAKDGRFDYIVIESTGISEPIP-VAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 3E70 Chain:C ((128-283)) --KPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEH--------AK--RIGVKVIKHSYGADPAAVAYDAIQHA-KARGIDVVLIDTAGRSETNRNLMDEMK--------KIARVTKPNLVIFVGDALAGNAIVE-------------------QARQFN-EAVKIDGIILTKLDADAR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3E70.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 : 748 -94764 -126.69 -636.00 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -126.69 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_3E70.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E70-query.scw PDB file : Tito_Scwrl_3E70.pdb: