Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIPVTVLSGYLGAGKTTLLNSILQNR-EGLKIAVIVNDMSEVNIDAGLVKQEGGLSRTDEKLVEMSNGCICCTLREDLLIEVEKLAKDGRFDYIVIESTGISEPIPVAQTFSYIDEEMGIDLTKFCQLDTMVTVVDANRFWHDYQSGESLLDRKEALGEKDEREIADLLIDQIEFCDVLILNKCDLVSE--QELEQLENVLRKLQPRARFIRSVKGNVKPQEILHTGLFNFEEASGSAGWIQELTAGHAEHTPETEEYGISSFVYKRRLPFHSTRFYRWLDQMPKNVVRAKGIVWCASHNNLALLMSQAGPSVTIEPVSYWVAALPKLEQEQVKQQEPEILEEWDPEFGDRLTQLVFIGTDLDEETITKELDQCLLTEYEFDSDWSLFEDPFKWKLNQ 2HF9 Chain:A ((37-204)) --GVVAFDFMGAIGSGKTLLIEKLIDNLKDKYKIACIAGDVIA-KFDAERMEK------HGAKVVPLNTGKECHLDAHLVGHALEDLN-LDEIDLLFIENVGNLICPA---DF-------------DLGTHKRIVVISTTEGDDTI----------------------EKHPGIMKTADLIVINKIDLADAVGADIKKMENDAKRINPDAEVVLLS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HF9.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 : 910 -119190 -130.98 -722.36 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -130.98 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_2HF9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HF9-query.scw PDB file : Tito_Scwrl_2HF9.pdb: