Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQERFPLVSDDEVMLTEMPVMNLYDESDLISNIKGEYRDKNYLEWAPIAEEKPVKPIEKQVEKPKKAPLGVKKEGKSYAEVAREEARADLKK--KRSANYLTQDFSLARRHS---QPSLVRQGNQPTTPFQ--------KENPGEFVK--------YSQKLTQSHYILAEEVHSIPTKNEEVSAPAPKKNNYDFLKKSQIYNKKSKQTEQERRVAQELNLTRMTE 2MHQ Chain:A ((1-103)) -------------------------------------------------------------------GAMGSCRPPMVKLVCPADNLRAEGLECTKTCQNYDLECMSMGCVSGCLCPPGMVRHENRCVALERCPCFHQGKEYAPGETVKIGCNTCVCRDRKWNCTDHVCD--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2MHQ.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 : 173 12086 69.86 147.38 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 69.86 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_2MHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MHQ-query.scw PDB file : Tito_Scwrl_2MHQ.pdb: