3I7U

crystal structure of ap4a hydrolase (aq_158) from aquifex aeolicus vf5

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 61
  • Norm. En. per Res.: -3.0519
• 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	-11.8645	-22.6151	-147.745	-182.2246	63	6	0	5468	2	26	29
A-C	-19.0938	17.6667	-93.4346	-94.8616	49	4	0	3989	2	28	29
B-C	-6.8754	-25.1902	-164.356	-196.4216	81	1	3	7187	2	26	42
B-D	-25.8577	15.6578	-110.823	-121.023	50	3	0	4608	2	27	31
C-D	-11.7	-20.191	-154.273	-186.164	61	9	0	5683	1	29	34

Interface residues

• A-B: ALA101B, ALA44A, ALA7A, ARG46A, ARG93B, ASN25B, ASN33A, ASP100B, ASP60A, GLU35A, GLU38A, GLU41A, GLU42A, GLU47A, GLU4A, GLU50B, GLU51B, GLU57A, GLU64A, GLU91B, GLU97B, GLY32A, GLY37A, GLY53B, GLY63A, GLY8A, HIS66A, ILE34A, ILE58A, ILE62A, ILE65A, LEU128A, LEU59A, LEU84A, LYS102B, LYS124A, LYS131A, LYS21B, LYS39A, LYS3A, LYS81A, LYS99B, PHE132A, PHE5A, PHE77A, PRO23B, PRO40A, PRO92B, PRO94B, SER6A, SER95B, THR22B, THR43A, THR52B, THR79A, TRP27B, TRP49B, TRP96B, TYR61A, TYR82A, TYR83A, VAL80A, VAL98B
• A-C: ARG75A, ASN33A, ASN33C, GLU35A, GLU35C, GLU38A, GLU38C, GLU42C, GLU4A, GLU4C, GLU64C, GLU74A, GLY37A, GLY37C, HIS66A, HIS66C, ILE34A, ILE34C, ILE65C, ILE76A, LYS2A, LYS2C, LYS39A, LYS39C, LYS3A, LYS3C, LYS78A, LYS78C, LYS81C, MET1A, MET1C, PHE5A, PHE5C, PHE77A, PHE77C, PRO36A, PRO36C, PRO40A, PRO40C, SER6C, THR43A, THR79A, THR79C, TRP68A, TRP68C, TYR61C, TYR67A, TYR83C, VAL80C
• B-C: ARG75B, ARG75C, ASN25B, ASN25C, ASN33B, ASN33C, ASP118B, ASP118C, GLU35B, GLU35C, GLU4B, GLU4C, GLU74B, GLU74C, GLU97B, GLU97C, GLY117B, GLY117C, GLY37B, GLY37C, GLY73B, GLY73C, ILE20B, ILE34B, ILE65B, ILE65C, ILE76B, ILE76C, LEU71B, LEU71C, LYS114B, LYS114C, LYS116B, LYS116C, LYS2B, LYS2C, LYS31B, LYS31C, LYS3B, LYS3C, LYS72B, LYS72C, LYS78B, LYS78C, LYS99B, LYS99C, MET1B, MET1C, PHE29B, PHE29C, PRO23B, PRO23C, PRO36B, PRO36C, SER24B, SER24C, SER28B, SER28C, SER95B, SER95C, THR22B, THR22C, THR70B, THR70C, TRP68B, TRP68C, TRP96B, TRP96C, TYR115B, TYR115C, TYR67B, TYR67C, TYR69B, TYR69C, TYR82B, TYR82C, VAL26B, VAL26C, VAL80B, VAL80C, VAL98C
• B-D: ALA7B, ARG75D, ASN33B, ASN33D, GLU35B, GLU35D, GLU38B, GLU38D, GLU41B, GLU42B, GLU4B, GLU4D, GLU64B, GLU74D, GLY37B, GLY37D, HIS66B, HIS66D, ILE34B, ILE34D, ILE76B, ILE76D, LYS2B, LYS2D, LYS39B, LYS39D, LYS3B, LYS3D, LYS78B, LYS78D, LYS81B, MET1B, MET1D, PHE5B, PHE5D, PHE77B, PHE77D, PRO36B, PRO36D, PRO40B, PRO40D, SER6B, THR79B, THR79D, TRP68B, TRP68D, TYR61B, TYR67D, TYR83B, VAL80B
• C-D: ALA101C, ALA44D, ALA7D, ARG46D, ARG93C, ASN25C, ASN33D, ASP100C, ASP60D, GLU35D, GLU38D, GLU41D, GLU42D, GLU47D, GLU4D, GLU50C, GLU51C, GLU57D, GLU64D, GLU91C, GLU97C, GLY32D, GLY37D, GLY53C, GLY63D, GLY8D, HIS66D, ILE34D, ILE58D, ILE62D, LEU128D, LEU59D, LEU84D, LYS102C, LYS124D, LYS131D, LYS21C, LYS39D, LYS3D, LYS81D, LYS99C, PHE132D, PHE5D, PHE77D, PRO23C, PRO40D, PRO92C, PRO94C, SER6D, SER95C, THR43D, THR52C, THR79D, TRP27C, TRP49C, TRP96C, TYR61D, TYR82D, TYR83D, VAL80D, VAL98C