Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MKKIPVTVLSGYLGAGKTTLLNSILQN-REGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDLLIEVEKLAKDGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSEQ--ELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 2WSM Chain:A ((11-213)) LAENKRLAEKNREALRESGTVAVNIMGAIGSGKTLLIERTIERIGNEVKIGAMLGDVVS-KADYERVRRFG------IKAEAISTGKECHLDAHMIYHRLKKFSD---CDLLLIENVG--------------------------------NLICPVDFDLGENYRVVMVSVTE--GDDVVEKHPEIFRV----ADLIVINKVALAEAVGADVEKMKADAKLINPRAKIIEM---DLKTGKGFEEWIDFLRGILN------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WSM.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 : 976 -88290 -90.46 -479.83 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -90.46 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_2WSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WSM-query.scw PDB file : Tito_Scwrl_2WSM.pdb: