3D82

crystal structure of a cupin-2 domain containing protein (sfri_3543) from shewanella frigidimarina ncimb 400 at 2.05 a resolution

• Total interactions analyzed: 10
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 99
  • Norm. En. per Res.: -3.1166
• Hub Node: A(1)

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	-10.8869	-4.5959	-178.158	-193.6407	69	10	2	6007	3	39	38
B-C	-47.2353	20.8988	-223.914	-250.2505	92	7	10	8867	0	15	20
C-D	-18.8035	-6.038	-161.246	-186.0875	65	7	2	5643	2	39	39
D-E	-64.892	18.457	-262.106	-308.541	99	11	9	10043	0	16	21

Interface residues

• A-B: ALA47A, ALA47B, ARG101A, ARG101B, ARG22A, ARG22B, ARG65A, ARG65B, ASN16A, ASN16B, ASN28A, ASP29A, ASP29B, ASP48A, ASP48B, GLN17A, GLN17B, GLN31A, GLN31B, GLU26A, GLU38A, GLU38B, GLU40A, GLU40B, GLU45A, GLU45B, GLU84A, GLU84B, GLY39A, GLY39B, GLY82A, GLY82B, HIS18A, HIS18B, HIS44A, HIS44B, HIS46A, HIS46B, HIS85A, HIS85B, LYS33B, LYS86A, PHE15A, PHE15B, PHE41A, PHE41B, PRO100A, PRO100B, PRO21A, PRO21B, PRO87A, PRO87B, SER20A, SER20B, TRP19A, TRP19B, TRP43A, TRP43B, TYR30A, VAL23A, VAL23B, VAL35A, VAL35B, VAL37A, VAL37B, VAL42A, VAL42B, VAL83A, VAL83B
• B-C: ALA25B, ALA25C, ALA73B, ALA73C, ASN28B, ASN28C, ASN68B, ASN68C, ASN7B, ASN7C, ASN9B, ASN9C, ASP10B, ASP10C, ASP29B, ASP29C, ASP48B, ASP48C, ASP50B, ASP50C, GLN2B, GLN2C, GLN31C, GLN67B, GLN67C, GLN72B, GLN72C, GLU26B, GLU26C, GLU51B, GLU51C, GLU75B, GLU75C, GLU99B, GLU99C, GLY74B, GLY74C, ILE24B, ILE24C, ILE54B, ILE54C, ILE62B, ILE62C, ILE69B, ILE69C, ILE6B, ILE6C, ILE79B, ILE79C, ILE97B, ILE97C, ILE98B, ILE98C, LEU71B, LEU71C, LYS11B, LYS11C, LYS4B, LYS4C, LYS81B, LYS81C, PHE32B, PHE32C, PHE53B, PHE53C, PHE64B, PHE64C, PHE8B, PHE8C, PRO100B, PRO100C, PRO80B, PRO80C, THR3B, THR3C, THR49B, THR49C, THR70B, THR70C, TYR30B, TYR30C, TYR77B, TYR77C, VAL52B, VAL52C, VAL55B, VAL55C, VAL5B, VAL5C, VAL78B, VAL78C, VAL83C
• C-D: ALA47C, ALA47D, ARG101C, ARG101D, ARG22C, ARG22D, ARG65C, ARG65D, ASN16D, ASP29C, ASP29D, ASP48C, ASP48D, GLN17C, GLN17D, GLN31C, GLN31D, GLU38C, GLU38D, GLU40C, GLU40D, GLU45C, GLU45D, GLU84C, GLU84D, GLY39C, GLY39D, GLY82C, GLY82D, HIS18C, HIS18D, HIS44C, HIS44D, HIS46C, HIS46D, HIS85C, HIS85D, LYS86C, LYS86D, PHE15C, PHE15D, PHE41C, PHE41D, PRO100C, PRO100D, PRO21C, PRO21D, PRO87C, PRO87D, SER20C, SER20D, TRP19C, TRP19D, TRP43C, TRP43D, VAL23C, VAL23D, VAL35C, VAL35D, VAL37C, VAL37D, VAL42C, VAL42D, VAL83C, VAL83D
• D-E: ALA25D, ALA25E, ALA73D, ALA73E, ASN28D, ASN28E, ASN68D, ASN68E, ASN7D, ASN7E, ASN9D, ASN9E, ASP10D, ASP10E, ASP29D, ASP29E, ASP48D, ASP48E, ASP50D, ASP50E, ASP66D, GLN2D, GLN2E, GLN31D, GLN31E, GLN61D, GLN61E, GLN67D, GLN67E, GLN72D, GLN72E, GLU26D, GLU26E, GLU51D, GLU51E, GLU75D, GLU75E, GLU99D, GLU99E, GLY0D, GLY0E, GLY74D, GLY74E, ILE24D, ILE24E, ILE54D, ILE54E, ILE62D, ILE62E, ILE69D, ILE69E, ILE6D, ILE6E, ILE79D, ILE79E, ILE97D, ILE97E, ILE98D, ILE98E, LEU60D, LEU71D, LEU71E, LYS11D, LYS11E, LYS4D, LYS4E, LYS81D, LYS81E, PHE32D, PHE32E, PHE53D, PHE53E, PHE64D, PHE64E, PHE8D, PHE8E, PRO100D, PRO100E, PRO80D, PRO80E, THR3D, THR3E, THR49D, THR49E, THR70D, THR70E, TYR30D, TYR30E, TYR77D, TYR77E, VAL52D, VAL52E, VAL55D, VAL55E, VAL5D, VAL5E, VAL78D, VAL78E, VAL83E