2Q30

crystal structure of a rmlc-like cupin protein (dde_2303) from desulfovibrio desulfuricans subsp. at 1.94 a resolution

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -5.4498
• Hub Node: A(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	-121.498	-53.1668	-424.816	-599.4808	110	19	16	16302	9	19	22
A-C	0.0	8.5797	-0.2126	8.367	4	0	0	31	0	2	3
A-D	0.0	4.8305	-0.0678	4.7627	3	0	0	12	0	0	1
B-D	0.0	2.7491	-3.9075	-1.1583	8	0	0	205	0	2	4
B-F	-40.392	6.5349	-125.865	-159.7221	63	6	0	4796	0	16	28
C-D	-104.0337	-62.0733	-414.977	-581.0841	111	15	16	16143	11	21	22
D-F	-13.5904	12.0328	-36.6091	-38.1667	20	1	0	1222	0	10	12
D-H	-31.4419	-1.8795	-140.724	-174.0454	68	4	0	5318	0	17	29
E-F	-91.1323	-74.4077	-392.44	-557.9799	110	19	16	15860	10	19	23
F-H	0.0	0.0	-0.0262	-0.0262	3	0	0	9	0	0	2
G-H	-93.6417	-61.1358	-397.573	-552.3505	111	19	15	15600	11	20	22

Interface residues

• A-B: ALA106A, ALA106B, ALA77A, ALA77B, ALA81A, ALA81B, ALA85A, ALA85B, ARG79A, ARG79B, ASN31A, ASN31B, ASN57A, ASN57B, ASN9A, ASN9B, GLU12A, GLU12B, GLU28A, GLU28B, GLU30A, GLU30B, GLU53A, GLU53B, GLU55A, GLU55B, GLU62A, GLU62B, GLY54A, GLY54B, GLY63A, GLY63B, GLY80A, GLY80B, HIS27A, HIS27B, HIS4A, HIS8A, HIS8B, ILE105A, ILE105B, ILE34A, ILE34B, ILE52B, ILE58A, ILE58B, ILE75A, ILE75B, ILE87A, ILE87B, LEU102A, LEU102B, LEU10A, LEU10B, LEU11A, LEU11B, LEU56A, LEU56B, LEU61A, LEU61B, LEU83A, LEU83B, LYS100A, LYS100B, LYS33A, LYS33B, LYS6A, LYS6B, PHE32A, PHE32B, PHE67A, PHE67B, PRO107A, PRO107B, PRO108A, PRO108B, PRO76A, PRO76B, PRO78A, PRO78B, PRO86A, PRO86B, PRO90B, SER29A, SER29B, SER36A, SER36B, SER7A, SER7B, THR104A, THR104B, THR89A, THR89B, VAL101A, VAL101B, VAL103A, VAL103B, VAL14B, VAL26A, VAL26B, VAL35A, VAL35B, VAL59A, VAL59B, VAL60A, VAL60B, VAL82A, VAL82B, VAL84A, VAL84B
• A-C: GLU30A, GLU64C, PRO78C, SER29A
• A-D: GLU12D, GLU30A, LEU11D
• B-D: ALA13D, ASN51B, GLU12D, GLU53B, ILE52B, LEU11D, PHE16D, VAL14D
• B-F: ALA106B, ARG20B, ARG20F, ASN31B, ASN51B, ASN51F, ASP70B, ASP70F, ASP72B, ASP72F, GLN19B, GLN19F, GLU28B, GLU30B, GLU30F, GLU44B, GLU44F, GLU53B, GLU53F, GLY69B, GLY69F, GLY71B, GLY71F, GLY92B, GLY92F, HIS48B, HIS48F, HIS50B, HIS50F, HIS91B, HIS91F, ILE105B, ILE109B, ILE109F, ILE52B, ILE52F, ILE87B, ILE87F, LEU45B, LEU45F, LYS33B, LYS33F, PHE21B, PHE21F, PHE32B, PHE37B, PHE37F, PRO107B, PRO108B, PRO108F, PRO46B, PRO46F, PRO90B, PRO90F, SER29B, SER49B, SER49F, SER88B, SER88F, VAL47B, VAL47F, VAL68B, VAL68F
• C-D: ALA106C, ALA106D, ALA77C, ALA77D, ALA81C, ALA81D, ALA85C, ALA85D, ARG79C, ARG79D, ASN31C, ASN31D, ASN57C, ASN57D, ASN9C, ASN9D, GLU12C, GLU12D, GLU28C, GLU28D, GLU30C, GLU30D, GLU53C, GLU53D, GLU55C, GLU55D, GLU62C, GLU62D, GLU64D, GLY54C, GLY54D, GLY63C, GLY63D, GLY80C, GLY80D, HIS27C, HIS27D, HIS4D, HIS8C, HIS8D, ILE105C, ILE105D, ILE34C, ILE34D, ILE52C, ILE52D, ILE58C, ILE58D, ILE75C, ILE75D, ILE87C, ILE87D, LEU102C, LEU102D, LEU10C, LEU10D, LEU11C, LEU11D, LEU56C, LEU56D, LEU61C, LEU61D, LEU83C, LEU83D, LYS100C, LYS100D, LYS33C, LYS33D, LYS6C, LYS6D, PHE32C, PHE32D, PHE67C, PHE67D, PRO107C, PRO107D, PRO108C, PRO108D, PRO76C, PRO76D, PRO78C, PRO78D, PRO86C, PRO86D, SER29C, SER29D, SER36C, SER36D, SER7C, SER7D, THR104C, THR104D, THR89C, THR89D, VAL101C, VAL101D, VAL103C, VAL103D, VAL14D, VAL26C, VAL26D, VAL35C, VAL35D, VAL59C, VAL59D, VAL60C, VAL60D, VAL82C, VAL82D, VAL84C, VAL84D
• D-F: ALA13D, ALA73F, ARG15D, ARG94F, ASP17D, ASP18D, ASP70F, ASP72F, ASP98D, GLN19D, GLN43D, GLU44F, GLY69F, GLY71F, LYS40D, PHE16D, VAL14D, VAL22D, VAL68F, VAL74F
• D-H: ALA106H, ARG20D, ARG20H, ARG94H, ASN31D, ASN31H, ASN51D, ASN51H, ASP70D, ASP70H, ASP72D, ASP72H, GLN19D, GLN19H, GLU28D, GLU28H, GLU30D, GLU30H, GLU44D, GLU44H, GLU53D, GLU53H, GLY69D, GLY69H, GLY71D, GLY71H, GLY92D, GLY92H, HIS48D, HIS48H, HIS50D, HIS50H, HIS91D, HIS91H, ILE109D, ILE109H, ILE52D, ILE52H, ILE87D, ILE87H, LEU45D, LEU45H, LYS33D, LYS33H, PHE21D, PHE21H, PHE32D, PHE32H, PHE37D, PHE37H, PRO107D, PRO107H, PRO108D, PRO108H, PRO46D, PRO46H, PRO90D, PRO90H, SER29D, SER29H, SER49D, SER49H, SER88D, SER88H, VAL47D, VAL47H, VAL68D, VAL68H
• E-F: ALA106E, ALA106F, ALA77E, ALA77F, ALA81E, ALA81F, ALA85E, ALA85F, ARG79E, ARG79F, ASN31E, ASN31F, ASN57E, ASN57F, ASN9E, ASN9F, GLU12E, GLU12F, GLU28E, GLU28F, GLU30E, GLU30F, GLU53E, GLU53F, GLU55E, GLU55F, GLU62E, GLU62F, GLY54E, GLY54F, GLY63E, GLY63F, GLY69F, GLY80E, GLY80F, HIS27E, HIS27F, HIS8E, HIS8F, ILE105E, ILE105F, ILE34E, ILE34F, ILE52F, ILE58E, ILE58F, ILE75E, ILE75F, ILE87E, ILE87F, LEU102E, LEU102F, LEU10E, LEU10F, LEU11E, LEU11F, LEU56E, LEU56F, LEU61E, LEU61F, LEU83E, LEU83F, LYS100E, LYS100F, LYS33E, LYS33F, LYS6E, LYS6F, PHE32E, PHE32F, PHE67E, PHE67F, PRO107E, PRO107F, PRO108E, PRO108F, PRO76E, PRO76F, PRO78E, PRO78F, PRO86E, PRO86F, SER29E, SER29F, SER36E, SER36F, SER7E, SER7F, THR104E, THR104F, THR89E, THR89F, VAL101E, VAL101F, VAL103E, VAL103F, VAL14E, VAL14F, VAL26E, VAL26F, VAL35E, VAL35F, VAL59E, VAL59F, VAL60E, VAL60F, VAL82E, VAL82F, VAL84E, VAL84F
• F-H: GLU30H, PRO76F, VAL74F
• G-H: ALA106G, ALA106H, ALA77G, ALA77H, ALA81G, ALA81H, ALA85G, ALA85H, ARG79G, ARG79H, ASN31G, ASN31H, ASN57G, ASN57H, ASN9G, ASN9H, GLU12G, GLU12H, GLU28G, GLU28H, GLU30G, GLU30H, GLU53G, GLU53H, GLU55G, GLU55H, GLU62G, GLU62H, GLY54G, GLY54H, GLY63G, GLY63H, GLY69H, GLY80G, GLY80H, HIS27G, HIS27H, HIS8G, HIS8H, ILE105G, ILE105H, ILE34G, ILE34H, ILE52G, ILE52H, ILE58G, ILE58H, ILE75G, ILE75H, ILE87G, ILE87H, LEU102G, LEU102H, LEU10G, LEU10H, LEU11G, LEU11H, LEU56G, LEU56H, LEU61G, LEU61H, LEU83G, LEU83H, LYS100G, LYS100H, LYS33G, LYS33H, LYS6G, LYS6H, PHE32G, PHE32H, PHE67G, PHE67H, PRO107G, PRO107H, PRO108G, PRO108H, PRO76G, PRO76H, PRO78G, PRO78H, PRO86G, PRO86H, SER29G, SER29H, SER36G, SER36H, SER7G, SER7H, THR104G, THR104H, THR89G, THR89H, VAL101G, VAL101H, VAL103G, VAL103H, VAL14G, VAL14H, VAL26G, VAL26H, VAL35G, VAL35H, VAL59G, VAL59H, VAL60G, VAL60H, VAL82G, VAL82H, VAL84G, VAL84H