3HNI

crystal structure of the zn-induced tetramer of the engineered cyt cb562 variant ridc-1

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 28
  • Norm. En. per Res.: -5.6217
• 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	0.0	-11.0959	-66.2541	-77.35	70	3	2	3462	5	38	34
A-C	-8.1529	-66.0267	-64.6228	-138.8024	28	1	0	1940	7	16	18
A-D	-6.854	67.4552	-157.451	-96.8498	80	7	2	6436	0	29	28
B-C	0.0	68.2412	-142.137	-73.8958	77	12	2	6298	0	28	28
B-D	-9.6991	-72.2643	-72.0317	-153.9951	28	1	0	2009	8	16	18
B-G	-4.6913	-93.4092	-32.2839	-130.3844	33	3	0	1354	6	28	19
C-D	0.0	-12.37	-61.5272	-73.8972	74	4	2	3653	4	39	34
C-F	-5.6062	-0.7208	-45.7388	-52.0658	34	5	0	1671	0	23	15
C-G	-6.5555	-19.1377	-21.9752	-47.6684	31	0	0	1185	1	17	19
E-F	0.0	65.1413	-169.733	-104.5917	80	15	2	7060	0	29	28
E-G	-7.6568	-64.3295	-59.7805	-131.7668	27	2	0	1953	8	15	17
E-H	0.0	-11.4982	-47.5215	-59.0197	64	2	2	2888	4	38	33
F-G	0.0	-20.4657	-66.2118	-86.6775	70	2	2	3623	5	40	34
F-H	-17.3863	-70.5971	-69.4233	-157.4067	28	2	0	2036	8	16	18
G-H	-6.0108	65.4402	-163.069	-103.6396	74	7	2	6606	0	28	28

Interface residues

• A-B: ALA100A, ALA100B, ALA75A, ALA75B, ALA89A, ALA89B, ALA90A, ALA90B, ASN99A, ASN99B, ASP60A, ASP60B, ASP74A, ASP74B, CYS101A, CYS101B, CYS98A, CYS98B, GLN103B, GLN71A, GLN71B, GLN93A, GLN93B, GLU57A, GLU57B, GLU81A, GLU81B, GLU86A, GLU86B, GLU92A, GLU92B, GLY64A, GLY64B, GLY70A, GLY70B, HIS59A, HIS59B, HIS63A, HIS63B, HIS73A, HIS77A, HIS77B, ILE67A, ILE67B, LEU78A, LEU78B, LEU94A, LEU94B, LYS104A, LYS104B, LYS83A, LYS83B, LYS85A, LYS85B, LYS95A, LYS95B, MET58B, PHE61A, PHE61B, PRO56A, PRO56B, SER55B, THR96A, THR96B, THR97A, THR97B, TRP66A, TRP66B, TYR105A, TYR105B
• A-C: ALA75A, ALA75C, ALA79A, ALA79C, ASN80A, ASN80C, ASP74A, ASP74C, GLN71C, GLU81A, GLU81C, GLU86A, GLY70A, GLY70C, GLY82A, GLY82C, HIS73A, HIS73C, HIS77A, HIS77C, LEU76A, LEU76C, LEU78A, LEU78C, LYS27A, LYS27C, LYS83A, LYS83C
• A-D: ALA1D, ALA24A, ALA29A, ALA29D, ALA34A, ALA34D, ALA35A, ALA35D, ALA36A, ALA36D, ALA37A, ALA37D, ALA38A, ALA38D, ALA40A, ALA40D, ALA75A, ALA75D, ARG62A, ARG62D, ASN80A, ASN80D, ASP28A, ASP28D, ASP39A, ASP39D, ASP54A, ASP54D, ASP60A, ASP60D, ASP74A, ASP74D, GLN71A, GLN71D, GLY70A, GLY70D, HIS59A, HIS59D, HIS63A, HIS63D, HIS73A, HIS73D, HIS77A, HIS77D, ILE67A, ILE67D, ILE69A, ILE69D, ILE72A, ILE72D, LEU30A, LEU30D, LEU68A, LEU68D, LEU76A, LEU76D, LYS27A, LYS27D, LYS32A, LYS32D, MET33A, MET33D, MET58A, MET58D, PHE65A, PHE65D, PRO53A, PRO53D, PRO56A, PRO56D, SER42A, SER42D, SER55A, SER55D, THR31A, THR31D, TRP41A, TRP41D, TRP66A, TRP66D
• B-C: ALA24C, ALA29C, ALA34B, ALA34C, ALA35B, ALA35C, ALA36B, ALA36C, ALA37B, ALA37C, ALA38B, ALA38C, ALA40B, ALA40C, ALA75B, ARG62B, ARG62C, ASN80B, ASN80C, ASP28B, ASP28C, ASP39B, ASP39C, ASP54B, ASP54C, ASP60B, ASP60C, ASP74B, ASP74C, GLN71B, GLN71C, GLY70B, GLY70C, HIS59B, HIS59C, HIS63B, HIS63C, HIS73B, HIS73C, HIS77B, HIS77C, ILE67B, ILE67C, ILE69B, ILE69C, ILE72B, ILE72C, LEU30B, LEU30C, LEU68B, LEU68C, LEU76B, LEU76C, LYS27B, LYS27C, LYS32B, LYS32C, MET33B, MET33C, MET58B, MET58C, PHE65B, PHE65C, PRO53B, PRO53C, PRO56B, PRO56C, SER42B, SER42C, SER55B, SER55C, THR31B, THR31C, TRP41B, TRP41C, TRP66B, TRP66C
• B-D: ALA75B, ALA75D, ALA79B, ALA79D, ASN80B, ASN80D, ASP74B, ASP74D, GLN71D, GLU81B, GLU81D, GLU86B, GLY70B, GLY70D, GLY82B, GLY82D, HIS73B, HIS73D, HIS77B, HIS77D, LEU76B, LEU76D, LEU78B, LEU78D, LYS27B, LYS27D, LYS83B, LYS83D
• B-G: ALA1B, ALA43B, ARG106G, ASN11G, ASN13B, ASN6B, ASN99G, ASP28B, ASP2B, ASP39B, ASP5B, CYS98G, GLN103G, GLU49B, GLU4B, GLU8B, GLU8G, HIS102G, LEU14G, LEU3B, LYS15G, LYS19G, LYS32B, LYS47G, LYS95G, MET7B, MET7G, PRO46B, PRO46G, SER42B, THR44B, THR9B, TYR105G
• C-D: ALA100C, ALA100D, ALA75C, ALA75D, ALA87C, ALA87D, ALA89C, ALA89D, ALA90C, ALA90D, ASN99C, ASN99D, ASP60C, ASP60D, ASP74C, ASP74D, CYS101C, CYS101D, CYS98C, CYS98D, GLN103C, GLN103D, GLN71C, GLN71D, GLN88C, GLN88D, GLN93C, GLN93D, GLU57C, GLU57D, GLU81C, GLU81D, GLU86C, GLU86D, GLU92C, GLU92D, GLY64C, GLY64D, GLY70C, GLY70D, HIS59C, HIS59D, HIS63C, HIS63D, HIS77C, HIS77D, ILE67C, ILE67D, LEU78C, LEU78D, LEU94C, LEU94D, LYS104C, LYS104D, LYS83C, LYS83D, LYS85C, LYS85D, LYS95C, LYS95D, PHE61C, PRO56C, PRO56D, SER55C, SER55D, THR96C, THR96D, THR97C, THR97D, TRP66C, TRP66D, TYR105C, TYR105D, VAL84C
• C-F: ALA100F, ALA1C, ALA43C, ARG106C, ARG106F, ASN11F, ASN6C, ASN99F, ASP12C, ASP2C, ASP5C, CYS101F, CYS98F, GLN103F, GLN93F, GLU49C, GLU4C, GLU8C, GLU92F, HIS102F, LEU14F, LEU3C, LEU94F, LYS104F, LYS15F, LYS47C, LYS95F, MET7C, PRO45C, PRO46C, THR44C, THR96F, THR97F, THR9C
• C-G: ALA1C, ALA20G, ALA43C, ALA89G, ASN99G, ASP21G, ASP2C, ASP39C, ASP50C, ASP54C, GLN103G, GLN88G, GLN93G, GLU18G, GLU49C, GLU86G, GLU92G, ILE17G, LEU3C, LEU48C, LYS15G, LYS19G, LYS51C, LYS85G, LYS95G, PRO46C, PRO53C, SER42C, SER52C, THR44C, THR96G
• E-F: ALA1E, ALA1F, ALA24E, ALA29E, ALA34E, ALA34F, ALA35E, ALA35F, ALA36E, ALA36F, ALA37E, ALA37F, ALA38E, ALA38F, ALA40E, ALA40F, ALA75E, ALA75F, ARG62E, ARG62F, ASN80E, ASN80F, ASP28E, ASP28F, ASP39E, ASP39F, ASP54E, ASP54F, ASP60E, ASP60F, ASP74E, ASP74F, GLN71E, GLN71F, GLY70E, GLY70F, HIS59E, HIS59F, HIS63E, HIS63F, HIS73E, HIS73F, HIS77E, HIS77F, ILE67E, ILE67F, ILE69E, ILE69F, ILE72E, ILE72F, LEU30E, LEU30F, LEU68E, LEU68F, LEU76E, LEU76F, LYS27E, LYS27F, LYS32E, LYS32F, MET33E, MET33F, MET58E, MET58F, PHE65E, PHE65F, PRO53E, PRO53F, PRO56E, PRO56F, SER42E, SER42F, SER55E, SER55F, THR31E, THR31F, TRP41E, TRP41F, TRP66E, TRP66F
• E-G: ALA75E, ALA75G, ALA79E, ALA79G, ASN80E, ASN80G, ASP74E, ASP74G, GLU81E, GLU81G, GLU86E, GLY70E, GLY70G, GLY82E, GLY82G, HIS73E, HIS73G, HIS77E, HIS77G, LEU76E, LEU76G, LEU78E, LEU78G, LYS27E, LYS27G, LYS83E, LYS83G
• E-H: ALA100E, ALA100H, ALA75E, ALA75H, ALA87H, ALA89E, ALA89H, ALA90E, ALA90H, ASN99E, ASN99H, ASP60E, ASP60H, ASP74E, ASP74H, CYS101E, CYS101H, CYS98H, GLN103E, GLN71E, GLN71H, GLN93E, GLN93H, GLU57E, GLU57H, GLU81E, GLU81H, GLU86E, GLU86H, GLU92E, GLU92H, GLY64E, GLY64H, GLY70E, HIS59E, HIS59H, HIS63E, HIS63H, HIS77E, HIS77H, ILE67E, ILE67H, LEU78E, LEU78H, LEU94E, LEU94H, LYS104E, LYS104H, LYS83E, LYS83H, LYS85E, LYS85H, LYS95E, LYS95H, PRO56E, PRO56H, THR96E, THR96H, THR97E, THR97H, TRP66E, TRP66H, TYR105E, TYR105H
• F-G: ALA100F, ALA100G, ALA75F, ALA75G, ALA87F, ALA87G, ALA89F, ALA89G, ALA90F, ALA90G, ASN99F, ASN99G, ASP60F, ASP60G, ASP74F, ASP74G, CYS101F, CYS101G, CYS98F, CYS98G, GLN103F, GLN71F, GLN71G, GLN93F, GLN93G, GLU57F, GLU57G, GLU81F, GLU81G, GLU86F, GLU86G, GLU92F, GLU92G, GLY64F, GLY64G, GLY70F, GLY70G, HIS59F, HIS59G, HIS63F, HIS63G, HIS77F, HIS77G, ILE67F, ILE67G, LEU78F, LEU78G, LEU94F, LEU94G, LYS104F, LYS104G, LYS83F, LYS83G, LYS85F, LYS85G, LYS95F, LYS95G, PHE61G, PRO56F, PRO56G, SER55G, THR96F, THR96G, THR97F, THR97G, TRP66F, TRP66G, TYR105F, TYR105G, VAL84F
• F-H: ALA75F, ALA75H, ALA79F, ALA79H, ASN80F, ASN80H, ASP74F, ASP74H, GLN71F, GLU81F, GLU81H, GLU86H, GLY70F, GLY70H, GLY82F, GLY82H, HIS73F, HIS73H, HIS77F, HIS77H, LEU76F, LEU76H, LEU78F, LEU78H, LYS27F, LYS27H, LYS83F, LYS83H
• G-H: ALA1H, ALA29G, ALA34G, ALA34H, ALA35G, ALA35H, ALA36G, ALA36H, ALA37G, ALA37H, ALA38G, ALA38H, ALA40G, ALA40H, ALA75H, ARG62G, ARG62H, ASN80G, ASN80H, ASP28G, ASP28H, ASP39G, ASP39H, ASP54G, ASP54H, ASP60G, ASP60H, ASP74G, ASP74H, GLN71H, GLY70G, GLY70H, HIS59G, HIS59H, HIS63G, HIS63H, HIS73G, HIS73H, HIS77G, HIS77H, ILE67G, ILE67H, ILE69G, ILE69H, ILE72G, ILE72H, LEU30G, LEU30H, LEU68H, LEU76G, LEU76H, LYS27G, LYS27H, LYS32G, LYS32H, MET33G, MET33H, MET58G, MET58H, PHE65G, PHE65H, PRO53G, PRO53H, PRO56G, SER42G, SER42H, SER55G, SER55H, THR31G, THR31H, TRP41G, TRP41H, TRP66G, TRP66H