Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILQLDNVSLKRNG-----KWILKDIHWKVEEKENWVLYGLNGAGKTALLNMLCSYYFPTSGEMQVLGHEFGKTE-LGEKLRRKIGLVSAALQQKLYPADSAFEIALSGAYASIGLYETPSKETREKAIGLLEDLGAIE-YADRRYETLSQGEKQRALIARALMADPELLILDEPVTGLDFIAREKLLDTITYIANKENAPSILYVTHHAEEILPVFDKALLLKQGEVFGSGEIKEMLTDQILSAFFDTPIHVLWNQDRPFLTRAEPITNA 4MKI Chain:B ((5-238)) MPIKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLF-EETVFKDIAFGPSNLG--L--SEEEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDK-YKMITILVSHNMEDIARIADKIIVMNRGKIELIGTPREVFRE-------------------------------

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 : 1154 -127886 -110.82 -563.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -110.82 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.533

(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: