Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIPPRSPILDEQPSTPLEHQETSQSVDCKICGDRASGFHYGVHACEGCKGFFRRTIRMRLQYEHCDRNCKIQKKNRNKCQYCRFNKCLSLGMSHNAIRFGRMPESEKRKLVQAPVSDSAAPDSPVSDLDVLSQLIHSSYMNTFTMTKKRARDILTGRNSISPFVIHDMDTLWQAEQGTVWEQLPTQNLTGTEIGVHVFYRCQCTSVETVRALTDFAKRIPGFGTLYLNDQVTLLKYGVHEAIFCMLASLMNKDGLLVAGGRGFVTREFLRSLRQPFCHIMEPKFHFASKFNALELNDSDLALFVASIILCGDRPGLINPSQVEDIQEGILGALRRHLKASHTDAPFLFPKLLHKMADLRQLVTEHAELVQSIKRTESSAALHPLLQEIYRDMY 5U3W Chain:B ((5-272)) ---------------------------------------------------------------------------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILT-----APFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY

General information: TITO was launched using: RESULT: Template: 5U3W.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 : 1146 -190662 -166.37 -727.72 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -166.37 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_5U3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3w-query.scw PDB file : Tito_Scwrl_5U3W.pdb: