4OTC

4-oxalocrotonate tautomerase observed as an octodecamer, trigonal crystal form

• Total interactions analyzed: 36
• Total true interactions: 5
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 86
  • Norm. En. per Res.: -4.5608
• Hub Node: B(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
B-C	-75.3802	-50.982	-219.964	-346.3262	84	13	15	10753	2	16	20
B-F	-40.5047	-11.5073	-37.2059	-89.218	22	6	0	1274	2	24	21
D-E	-74.8046	-60.0787	-229.673	-364.5563	84	12	15	11171	2	16	20
F-G	-80.5391	-67.1396	-227.753	-375.4316	86	20	16	11599	2	16	20
H-I	-87.4156	-65.1735	-239.636	-392.2251	86	19	16	11636	2	16	20

Interface residues

• B-C: ALA26B, ALA26C, ALA33B, ALA33C, ALA3B, ALA3C, ARG11B, ARG11C, ARG21B, ARG21C, ARG29B, ARG29C, ARG39B, ARG39C, ASP32B, ASP32C, GLN15B, GLN15C, GLN4B, GLN4C, GLU14B, GLU14C, GLU17B, GLU17C, GLU22B, GLU22C, GLU25B, GLU25C, GLY51B, GLY51C, HIS6B, HIS6C, ILE20B, ILE20C, ILE27B, ILE27C, ILE2B, ILE2C, ILE41B, ILE41C, ILE42B, ILE42C, ILE52B, ILE52C, ILE5B, ILE5C, ILE7B, ILE7C, LEU19B, LEU19C, LEU31B, LEU31C, LEU8B, LEU8C, LYS16B, LYS16C, MET45B, MET45C, PHE50B, PHE50C, PRO1B, PRO1C, PRO34B, PRO34C, SER12B, SER12C, SER24B, SER24C, SER28B, SER28C, SER30B, SER30C, SER37B, SER37C, THR18B, THR18C, THR43B, THR43C, VAL23B, VAL23C, VAL38B, VAL38C, VAL40B, VAL40C
• B-F: ARG11B, ARG11F, ASP13B, ASP13F, GLN15B, GLN15F, GLU14B, GLU14F, GLU17B, GLU17F, GLU9B, GLU9F, GLY10B, GLY10F, LEU8B, LEU8F, LYS16B, LYS16F, LYS47B, LYS47F, SER12B, SER12F
• D-E: ALA26D, ALA26E, ALA33D, ALA33E, ALA3D, ALA3E, ARG11D, ARG11E, ARG21D, ARG21E, ARG29D, ARG29E, ARG39D, ARG39E, ASP32D, ASP32E, GLN15D, GLN15E, GLN4D, GLN4E, GLU14D, GLU14E, GLU17D, GLU17E, GLU22D, GLU22E, GLU25D, GLU25E, GLY51D, GLY51E, HIS6D, HIS6E, ILE20D, ILE20E, ILE27D, ILE27E, ILE2D, ILE2E, ILE41D, ILE41E, ILE42D, ILE42E, ILE52D, ILE52E, ILE5D, ILE5E, ILE7D, ILE7E, LEU19D, LEU19E, LEU31D, LEU31E, LEU8D, LEU8E, LYS16D, LYS16E, MET45D, MET45E, PHE50D, PHE50E, PRO1D, PRO1E, PRO34D, PRO34E, SER12D, SER12E, SER24D, SER24E, SER28D, SER28E, SER30D, SER30E, SER37D, SER37E, THR18D, THR18E, THR43D, THR43E, VAL23D, VAL23E, VAL38D, VAL38E, VAL40D, VAL40E
• F-G: ALA26F, ALA26G, ALA33F, ALA33G, ALA3F, ALA3G, ARG11F, ARG11G, ARG21F, ARG21G, ARG29F, ARG29G, ARG39F, ARG39G, ASP32F, ASP32G, GLN15F, GLN15G, GLN4F, GLN4G, GLU14F, GLU14G, GLU17F, GLU17G, GLU22F, GLU22G, GLU25F, GLU25G, GLY10F, GLY10G, GLY51F, GLY51G, HIS6F, HIS6G, ILE20F, ILE20G, ILE27F, ILE27G, ILE2F, ILE2G, ILE41F, ILE41G, ILE42F, ILE42G, ILE52F, ILE52G, ILE5F, ILE5G, ILE7F, ILE7G, LEU19F, LEU19G, LEU31F, LEU31G, LEU8F, LEU8G, LYS16F, LYS16G, MET45F, MET45G, PHE50F, PHE50G, PRO1F, PRO1G, PRO34F, PRO34G, SER12F, SER12G, SER24F, SER24G, SER28F, SER28G, SER30F, SER30G, SER37F, SER37G, THR18F, THR18G, THR43F, THR43G, VAL23F, VAL23G, VAL38F, VAL38G, VAL40F, VAL40G
• H-I: ALA26H, ALA26I, ALA33H, ALA33I, ALA3H, ALA3I, ARG11H, ARG11I, ARG21H, ARG21I, ARG29H, ARG29I, ARG39H, ARG39I, ASP32H, ASP32I, GLN15H, GLN15I, GLN4H, GLN4I, GLU14H, GLU14I, GLU17H, GLU17I, GLU22H, GLU22I, GLU25H, GLU25I, GLY10H, GLY10I, GLY51H, GLY51I, HIS6H, HIS6I, ILE20H, ILE20I, ILE27H, ILE27I, ILE2H, ILE2I, ILE41H, ILE41I, ILE42H, ILE42I, ILE52H, ILE52I, ILE5H, ILE5I, ILE7H, ILE7I, LEU19H, LEU19I, LEU31H, LEU31I, LEU8H, LEU8I, LYS16H, LYS16I, MET45H, MET45I, PHE50H, PHE50I, PRO1H, PRO1I, PRO34H, PRO34I, SER12H, SER12I, SER24H, SER24I, SER28H, SER28I, SER30H, SER30I, SER37H, SER37I, THR18H, THR18I, THR43H, THR43I, VAL23H, VAL23I, VAL38H, VAL38I, VAL40H, VAL40I