Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNTIFLQRVADLYDTFKQHDSQQSDRLQRYRNIEVESAQLISQLIRMQQAKSILEIGTSTGYSTLWLAEAAQATGGQVITVEIDAKRSAEAKRHVAELELSEIVQFWVGDAADYLK----------------AAQEKFDFILLDAERDAYENYWPDLKRLMKPKGGVLVVDNVISHA------------AEVNRFIALIKKDPDYMSSILPVGAGLCLVVTK 2HNK Chain:C ((40-230)) -----------------------------ANMQISPEEGQFLNILTKISGAKRIIEIGTFTGYSSLCFASALPE-DGKILCCDVSEEWTNVARKYWKENGLENKIFLKLGSALETLQVLIDSKSAPSWASDFAFGPSSIDLFFLDADKENYPNYYPLILKLLKPG-GLLIADNVLWDGSVADLSHQEPSTVGIRKFNELVYNDSLVDVSLVPIADGVSLVRK-

General information: TITO was launched using: RESULT: Template: 2HNK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 791 -65923 -83.34 -404.43 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -83.34 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_2HNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HNK-query.scw PDB file : Tito_Scwrl_2HNK.pdb: