3OL0

crystal structure of monofoil-4p homo-trimer: de novo designed monomer trefoil-fold sub-domain which forms homo-trimer assembly

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 58
  • Norm. En. per Res.: -5.5915
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-81.8725	-17.7499	-215.256	-314.8784	61	7	6	8917	0	16	14
A-C	-67.7122	-17.2917	-186.678	-271.6819	59	8	5	7943	1	15	13
B-C	-85.8593	-33.2216	-205.228	-324.3088	58	8	6	8299	2	15	14

Interface residues

• A-B: ARG24A, ARG24B, ARG35B, ARG37B, ASN26A, ASN26B, ASP28A, ASP32A, ASP32B, ASP39A, ASP39B, GLN21B, GLN43A, GLN43B, GLN45A, GLU18B, GLU49A, GLU49B, GLY20B, GLY29A, GLY33B, GLY50A, HIS-1A, HIS0A, HIS0B, HIS41A, ILE25A, ILE25B, ILE42A, ILE42B, ILE46A, ILE46B, LEU13A, LEU13B, LEU14A, LEU14B, LEU23A, LEU23B, LYS15B, PHE44A, PHE44B, PRO11A, PRO11B, PRO27A, PRO40A, PRO40B, PRO48A, SER16B, SER38B, SER47A, THR17A, THR17B, THR19B, THR30A, THR30B, THR34B, TYR22B, VAL12A, VAL12B, VAL31A, VAL31B
• A-C: ARG24A, ARG24C, ARG35A, ARG37A, ASN26A, ASN26C, ASP28C, ASP32A, ASP32C, ASP39A, ASP39C, GLN21A, GLN43A, GLN43C, GLN45C, GLU18A, GLU49A, GLU49C, GLY20A, GLY29C, GLY33A, GLY50C, HIS0A, HIS0C, HIS41C, ILE25A, ILE25C, ILE42A, ILE42C, ILE46A, ILE46C, LEU13A, LEU14A, LEU14C, LEU23A, LEU23C, LYS15A, PHE44A, PHE44C, PRO11A, PRO11C, PRO27C, PRO40A, PRO40C, PRO48C, SER16A, SER38A, SER47C, THR17A, THR17C, THR19A, THR30A, THR30C, THR34A, TYR22A, VAL12A, VAL12C, VAL31A, VAL31C
• B-C: ARG24B, ARG24C, ARG35C, ARG37C, ASN26B, ASP28B, ASP32B, ASP32C, ASP39B, ASP39C, GLN21C, GLN43B, GLN43C, GLN45B, GLU18C, GLU49B, GLU49C, GLY20C, GLY29B, GLY33C, GLY50B, HIS0B, HIS0C, HIS41B, ILE25B, ILE25C, ILE42B, ILE42C, ILE46B, ILE46C, LEU13C, LEU14B, LEU14C, LEU23B, LEU23C, LYS15C, PHE44B, PHE44C, PRO11B, PRO11C, PRO27B, PRO40B, PRO40C, PRO48B, SER16C, SER38C, SER47B, THR17B, THR17C, THR19C, THR30B, THR30C, THR34C, TYR22C, VAL12B, VAL12C, VAL31B, VAL31C