Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIPPRSPILDEQPSTPLEHQETSQSVDCKICGDRASGFHYGVHACEGCKGFFRRTIRMRLQYEHCDRNCKIQKKNRNKCQYCRFNKCLSLGMSHNAIRFGRMPESEKRKLVQAPVSDSAAPDSPVSDLDVLSQLIHSSYMNTFTMTKKRARDILTGRNSISPFVIHDMDTLWQAEQGTVWEQLPTQNLTGTEIGVHVFYRCQCTSVETVRALTDFAKRIPGFGTLYLNDQVTLLKYGVHEAIFCMLASLMNKDGLLVAGGRGFVTREFLRSLRQPFCHIMEPKFHFASKFNALELNDSDLALFVASIILCGDRPGLINPSQVEDIQEGILGALRRHLKASHTDAPFLFPKLLHKMADLRQLVTEHAELVQSIKRTESSAALHPLLQEIYRDMY 5U3Y Chain:B ((4-270)) --------------------------------------------------------------------------------------------------------------------------------ADLKAFSKHIYNAYLKNFNMTKKKARSILT-----APFVIHDIETLWQAEKGLVW------LPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKD--

General information: TITO was launched using: RESULT: Template: 5U3Y.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 : 1132 -198600 -175.44 -778.82 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -175.44 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_5U3Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3y-query.scw PDB file : Tito_Scwrl_5U3Y.pdb: