1OVV

crystal structure of four-helix bundle model di-co(ii)-df1-l13a (form ii)

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 85
  • Norm. En. per Res.: -2.8249
• Hub Node: C(3)

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	-10.5343	61.2027	-195.378	-144.7096	87	28	12	11454	6	47	45
B-E	-18.3954	1.7004	-98.4501	-115.1451	54	6	0	5082	3	43	46
C-D	-57.8054	27.1153	-209.423	-240.1131	85	22	10	11257	7	44	42
C-E	0.0	0.0	-0.0077	-0.0077	2	0	0	8	0	2	1
C-F	0.0	0.0	-1.7412	-1.7412	10	0	0	156	0	6	7
D-F	-25.6398	-32.5035	-17.7461	-75.8894	33	10	0	1923	4	24	23
E-F	-39.4553	77.7034	-256.942	-218.6939	91	16	11	11680	4	45	47

Interface residues

• A-B: ALA13A, ALA13B, ALA20A, ALA20B, ALA30A, ALA30B, ARG18A, ARG18B, ARG4B, ASP1B, ASP35A, ASP35B, GLN12A, GLN12B, GLN16A, GLN16B, GLU10A, GLU10B, GLU19A, GLU19B, GLU34A, GLU34B, GLU36A, GLU36B, GLU37A, GLU37B, GLU41A, GLU41B, GLU44B, GLU5A, GLU5B, HIS39A, HIS39B, ILE14A, ILE14B, ILE32A, ILE32B, ILE40A, ILE40B, ILE46A, ILE46B, LEU11A, LEU11B, LEU21A, LEU21B, LEU26A, LEU26B, LEU29A, LEU29B, LEU33A, LEU33B, LEU3A, LEU3B, LEU43A, LEU43B, LEU6A, LEU6B, LEU7A, LEU7B, LEU9A, LEU9B, LYS15A, LYS15B, LYS25A, LYS25B, LYS31A, LYS31B, LYS38A, LYS38B, LYS8A, LYS8B, PRO27A, PRO27B, THR45A, THR45B, TRP42A, TRP42B, TYR17A, TYR17B, TYR23A, TYR23B, TYR2A, TYR2B, VAL24A, VAL24B, VAL28A, VAL28B
• B-E: ALA13B, ARG18B, ARG18E, ARG4B, ASP1B, GLN12B, GLN12E, GLN16B, GLN16E, GLU10E, GLU19E, GLU22E, GLU34E, GLU36B, GLU36E, GLU37B, GLU37E, GLU41B, GLU41E, GLU44B, GLU44E, GLU5B, GLY48B, GLY48E, HIS39B, HIS39E, ILE14B, ILE14E, ILE40B, ILE40E, ILE46B, LEU11B, LEU11E, LEU21E, LEU33E, LEU3B, LEU43B, LEU43E, LEU47B, LEU7B, LEU7E, LEU9B, LYS15B, LYS15E, LYS25E, LYS38B, LYS38E, LYS8B, LYS8E, THR45B, THR45E, TRP42B, TRP42E, TYR17E
• C-D: ALA13C, ALA13D, ALA20C, ALA20D, ALA30C, ALA30D, ARG18C, ARG18D, ASP1C, ASP35C, ASP35D, GLN12C, GLN12D, GLN16C, GLN16D, GLU10C, GLU10D, GLU19C, GLU19D, GLU22D, GLU34C, GLU34D, GLU36C, GLU36D, GLU37C, GLU37D, GLU41C, GLU41D, GLU44C, GLU5C, GLU5D, HIS39C, HIS39D, ILE14C, ILE14D, ILE32C, ILE32D, ILE40C, ILE40D, ILE46C, ILE46D, LEU11C, LEU11D, LEU21C, LEU21D, LEU26C, LEU26D, LEU29C, LEU29D, LEU33C, LEU33D, LEU3C, LEU3D, LEU43C, LEU43D, LEU6C, LEU6D, LEU7C, LEU7D, LEU9C, LEU9D, LYS15C, LYS15D, LYS31C, LYS31D, LYS38C, LYS38D, LYS8C, LYS8D, PRO27C, PRO27D, THR45C, THR45D, TRP42C, TRP42D, TYR17C, TYR17D, TYR23C, TYR23D, TYR2C, TYR2D, VAL24C, VAL24D, VAL28C, VAL28D
• C-E: LYS31E, LYS8C
• C-F: ASP1C, GLU34F, GLU5C, LEU6C, LEU9C, LYS31F, LYS38F, LYS8C, TRP42F, TYR2C
• D-F: ALA20D, ALA30F, ARG18D, ARG18F, ASP35F, GLN12D, GLN16D, GLU19D, GLU22D, GLU34F, GLU36F, GLU37F, GLU41F, GLU44F, ILE14F, ILE32F, ILE40F, LEU11D, LEU21D, LEU21F, LEU29F, LEU33F, LYS15D, LYS25F, LYS31F, LYS38F, LYS8D, PRO27F, THR45F, TRP42F, TYR17D, TYR23D, VAL24D
• E-F: ALA13E, ALA13F, ALA20E, ALA20F, ALA30E, ALA30F, ARG18E, ARG18F, ARG4E, ARG4F, ASP1E, ASP1F, ASP35E, ASP35F, GLN12E, GLN12F, GLN16E, GLN16F, GLU10E, GLU10F, GLU19E, GLU19F, GLU22E, GLU34E, GLU34F, GLU36E, GLU36F, GLU37E, GLU37F, GLU41E, GLU41F, GLU44E, GLU5E, GLU5F, HIS39E, HIS39F, ILE14E, ILE14F, ILE32E, ILE32F, ILE40E, ILE40F, ILE46E, ILE46F, LEU11E, LEU11F, LEU21E, LEU21F, LEU26E, LEU26F, LEU29E, LEU29F, LEU33E, LEU33F, LEU3E, LEU3F, LEU43E, LEU43F, LEU47E, LEU47F, LEU6E, LEU6F, LEU7E, LEU7F, LEU9E, LEU9F, LYS15E, LYS15F, LYS25F, LYS31E, LYS31F, LYS38E, LYS38F, LYS8E, LYS8F, PRO27E, PRO27F, THR45E, THR45F, TRP42E, TRP42F, TYR17E, TYR17F, TYR23E, TYR23F, TYR2E, TYR2F, VAL24E, VAL24F, VAL28E, VAL28F