Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIPPRSPILDEQPSTPLEHQETSQSVDCKICGDRASGFHYGVHACEGCKGFFRRTIRMRLQYEHCDRNCKIQKKNRNKCQYCRFNKCLSLGMSHNAIRFGRMPESEKRKLVQAPVSDSAAPDSPVSDLDVLSQLIHSSYMNTFTMTKKRARDILTGRNSISPFVIHDMDTLWQAEQGTVWEQLPTQNLTGTEIGVHVFYRCQCTSVETVRALTDFAKRIPGFGTLYLNDQVTLLKYGVHEAIFCMLASLMNKDGLLVAGGRGFVTREFLRSLRQPFCHIMEPKFHFASKFNALELNDSDLALFVASIILCGDRPGLINPSQVEDIQEGILGALRRHLKASHTDAPFLFPKLLHKMADLRQLVTEHAELVQSIKRTESSAALHPLLQEIYRDMY 5U3Q Chain:B ((77-271)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 5U3Q.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 : 708 -143316 -202.42 -734.95 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -202.42 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.296

(partial model without unconserved sides chains): PDB file : Tito_5U3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u3q-query.scw PDB file : Tito_Scwrl_5U3Q.pdb: