Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVVKVEKLSKKIKDKEILRNISFEINDGECVALIGPNGAGKTTLLDCLLGDKLVTSGQVSIQGLPVTSSKLDYTRAYLPQENIIVQKLKVKEL-IAFFQRIYPNP----LSNQEID----QLLQFVKQQKEQLAEK----LSGGQKRLFSFILTLIGRPKIVFLDEPTASMDTSTRQRFWEIVQEL--KAQGVTILYSSHYIEEVEHTADRILLLNKG--ELIRDTTPLAMRSEEIEKHFILPIAYKEVVEQSNLVENWTLKQDSLQVVTREADAFWELLAQAGCRMQEIEVNNRSLLNTIFEETQKGDN 4MKI Chain:B ((27-244)) ------------------LKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSL-KDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISKE-LADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILV-SHNMEDIARIADKIIVMNRGKIELIGTPREVFREAERLEK------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MKI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 931 -13144 -14.12 -65.39 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -14.12 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_4MKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MKI-query.scw PDB file : Tito_Scwrl_4MKI.pdb: