Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNREGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDLLIEVEKLAK-----DGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQ---LDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQM----PKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDR--LTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 4IXN Chain:A ((1-309)) MNPIAVTLLTGFLGAGKTTLLRHILNEQHGYKIAVIANEFGEVSVDDQLIGDRATQIKT------LTNGCIAASRSNELEDALLDLLDNLDKGNIQFDRLVIECTGMADPGPIIQTF--FSHEV------LCQRYLLDGVIALVDA----------------VHADEQMNQFTIAQ---SQVGYADRILLTKTDVAGEA--EKLHERLARINARAPVYTVTHGDIDLGLLFNTNGFMLEE--------NVVSTKPRFHFIADKQNDISSIVVELDYPVDISEVSRVMENLLLESADKLLRYKGMLWIDGEPNRLLF----------QGVQRLYSA------------------DWDRPWGDEKPHSTMVFIGIQLPEEEI-------------------------------

General information: TITO was launched using: RESULT: Template: 4IXN.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 : 1561 -187396 -120.05 -635.24 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -120.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_4IXN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IXN-query.scw PDB file : Tito_Scwrl_4IXN.pdb: