Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIPPRSPILDEQPSTPLEHQETSQSVDCKICGDRASGFHYGVHACEGCKGFFRRTIRMRLQYEHCDRNCKIQKKNRNKCQYCRFNKCLSLGMSHNAIRFGRMPESEKRKLVQAPVSDSAAPDSPVSDLDVLSQLIHSSYMNTFTMTKKRARDILTGRNSISP-FVIHDMDTLWQAEQGTVWEQLPTQNLTGTEIGVHVFYRCQCTSVETVRALTDFAKRIPGFGTLYLNDQVTLLKYGVHEAIFCMLASLMNKDGLLVAGGRGFVTREFLRSLRQPFCHIMEPKFHFASKFNALELNDSDLALFVASIILCGDRPGLINPSQVEDIQEGILGALRRHLKASHTDAPFLFPKLLHKMADLRQLVTEHAELVQSIKRTESSAALHPLLQEIYRDMY 3ET1 Chain:A ((24-291)) --------------------------------------------------------------------------------------------------------------------------------ADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEK-TLVA-------QNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY

General information: TITO was launched using: RESULT: Template: 3ET1.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 : 1118 -94100 -84.17 -361.92 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -84.17 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_3ET1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3et1-query.scw PDB file : Tito_Scwrl_3ET1.pdb: