Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKAADVQKGGGFLIEDVTYDQMYT-PEDFTDEH----KMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAG-SFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVD---------GDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVP----------STFLKKALKGELPLFEKAQSLQEE---LMMLMPEEPGSG-----VLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV 3B96 Chain:A ((8-554)) ------------GMFKGQLTTDQVFPYPSVLNEEQTQFLKELVEPVSRFFEEVNDPAKNDALEMVEETTWQGLK---ELGAFGLQVPSELGGVGLCNTQYARLVEIVGMHDLGVGITLGAHQSIGFKGILLFGTKAQKEKYLPKLASGETVAAFCLTEPSSGSDAASIRTSAVPSPCGKYYTLNGSKLWISNGGLADIFTVFAKTPVTDPATGAVKEKITAFVVERGFGGITHGPPEKKMGIKASNTAEVFFDGVRVPSENVLGEVGSGFKVAMHILNNGRFGMAAALAGTMRGIIAKAVDHATNRTQFGEKIHNFGLIQEKLARMVMLQYVTESMAY----MVSANMDQ--------------GATDFQIEAAISKIFGSEAAWKVTDECIQIMGGMGFMKEPGVERVLRDLRIFRIFEGTNDILRLFVALQGCMDKGKELS----------------------LSLSGLVHPELSRSGELAVRALEQFATVV-EAKLI----------KHKKGIVNEQFLLQRLADGAIDLYAMVVVLSRASRSL-SEGHPTAQHEKMLCDTWCIEA----AARIREGMAALQ------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B96.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 : 2630 67162 25.54 139.63 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 25.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3B96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B96-query.scw PDB file : Tito_Scwrl_3B96.pdb: