Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIPPRSPILDEQPSTPLEHQETSQSVDCKICGDRASGFHYGVHACEGCKGFFRRTIRMRLQYEHCDRNCKIQKKNRNKCQYCRFNKCLSLGMSHNAIRFGRMPESEKRKLVQAPVSDSAAPDSPVSDLDVLSQLIHSSYMNTFTMTKKRARDILTGRNSISPFVIHDMDTLWQAEQGTVWEQLPTQNLTGTEIGVHVFYRCQCTSVETVRALTDFAKRIPGFGTLYLNDQVTLLKYGVHEAIFCMLASLMNKDGLLVAGGRGFVTREFLRSLRQPFCHIMEPKFHFASKFNALELNDSDLALFVASIILCGDRPGLINPSQVEDIQEGILGALRRHLKASHTDAPFLFPKLLHKMADLRQLVTEHAELVQSIKRTESSAALHPLLQEIYRDMY 2XYW Chain:B ((21-287)) ---------------------------------------------------------------------------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILTGKA---PFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDM-

General information: TITO was launched using: RESULT: Template: 2XYW.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 : 1166 -193135 -165.64 -734.35 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -165.64 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_2XYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2xyw-query.scw PDB file : Tito_Scwrl_2XYW.pdb: