Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNREGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDLLIEVEKLAK-----DGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQ---LDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQM----PKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDR--LTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 1NIJ Chain:A ((2-309)) -NPIAVTLLTGFLGAGKTTLLRHILNEQHGYKIAVIENEFGEVSVDDQLIGDRATQIKT------LTNGCICCSRSNELEDALLDLLDNLDKGNIQFDRLVIECTGMADPGPIIQTF--FSHEV------LCQRYLLDGVIALVDA----------------VHADEQMNQFTIAQ---SQVGYADRILLTKTDVAGEA--EKLHERLARINARAPVYTVTHGDIDLGLLFNTNGFMLEE--------NVVSTKPRFHFIADKQNDISSIVVELDYPVDISEVSRVMENLLLESADKLLRYKGMLWIDGEPNRLLF----------QGVQRLYSA------------------DWDRPWGDEKPHSTMVFIGIQLPEEEI-------------------------------

General information: TITO was launched using: RESULT: Template: 1NIJ.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 : 1602 -198006 -123.60 -673.49 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -123.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_1NIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NIJ-query.scw PDB file : Tito_Scwrl_1NIJ.pdb: