Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNR-EGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDLLIE---VEKLAK-DGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSE--QELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 4HI0 Chain:E ((1-178)) ---MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKE-DAEFMCK-NSVMPRERIIGVETGGCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNL----SA------------TFNPELADFTIFVIDVAEGDKIP----------------------RKGGPGITRSDLLVINKIDLAPYVGADLKVMERDSKKMRGEKPFIFTNI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HI0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 882 -81912 -92.87 -479.01 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain E : 0.62 3D Compatibility (PKB) : -92.87 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4HI0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HI0-query.scw PDB file : Tito_Scwrl_4HI0.pdb: