Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------MAYTASCLCNGIQLRINAELEPIMVCHCKQCQKAQG---AAFAAITQVQKSDLEIVQGENLLQAYFA----SPNKKRVFCKICGSPVW---SERLDKPDVVRLRVGLINEEISTPVIS------HAFVNSQVKWYPICDTARQYPNGVENP---------------------------- 2MHK Chain:A ((1-250)) MGSSHHHHHHSSGLVPRGSHMGTHTPDQSTAYMQGTAQADSAFYLQQMQQSSDDTRINWQLLAIRALVKEGKTGQAVELFNQLPQELNDAQRREKTLLAVEIKLAQKDFAGAQNLLAKITPADLEQNQQARYWQAKIDASQGRPSIDLLRALIAQEPLLGAKEKQQNIDATWQALSSMTQEQANTLVINADENILQGWLDLQRVWFDNRNDPDMMKAGIADWQKRYPNNPGAKMLPTQLVNVKAFKPAST

General information: TITO was launched using: RESULT: Template: 2MHK.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 : 545 16246 29.81 120.34 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 29.81 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_2MHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MHK-query.scw PDB file : Tito_Scwrl_2MHK.pdb: