Table 1. Summary of interaction restraints used in protein-protein docking.
Residues | |
Ambiguous interaction restraints | |
Hb | |
Active residues | αLys127, αAla130, αThr134, αLys139, αArg141, βThr12, βAla13, βGly16, βLys17, βAsn19, βGlu22, βTrp37, βAla135, βAsn139, βHis143, βLys144, βTyr145, βHis146 |
Passive residues | αVal1, αSer3, αHis89, αArg92, αSer138, βLys8, βSer9, βPro36, βArg40, βSer72, βThr87, βGlu90, βLys95, βLeu96, βHis97, βGlu101, βArg104 |
Hp | |
Active residues | βLys9, βPhe129, βLys130, βPhe131, βHis134, βAsp144, βAsp146, βArg150, βThr156, βVal157, βPro158, βGlu159, βLys160, βLys161, βThr162, βLeu203, βGlu204, βGlu205, βAsp206, βLys218, βVal222 |
Passive residues | αAsn36, αLys76, αAsn77, βLeu6, βAla8, βAsn23, βThr61, βGlu99, βLys109, βVal114, βAsn126, βAla127, βHis151, βPro163, βSer183 |
Hpβ * | |
Active residues | βLys9, βLys130, βPhe131, βAsp144, βAsp146, βArg150, βThr156, βVal157, βGlu159, βLys160, βLys161, βThr162, βLeu203, βGlu204, βGlu205, βAsp206, βVal222, βAla223 |
Passive residues | βHis5, βLeu6, βAla8, βVal64, βGlu99, βVal114, βPro163, βLys164, βLeu173, βSer183, βSer184, βGln186, βGlu187 |
Unambiguous interaction restraints | |
Hb | HemeFe-Nε αHis87 |
HemeFe-Nε βHis92 |
Haptoglobin without α chain.