3NMI

crystal structure of the phenanthroline-modified cytochrome cb562 variant, mbp-phen2

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 50
  • Norm. En. per Res.: -3.3262
• 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	19.4772	-133.58	-114.1028	67	4	2	5668	0	9	14
A-C	-19.1397	0.0	-33.0905	-52.2302	47	5	0	2000	0	8	11
A-F	0.0	0.0	-0.4464	-0.4464	6	0	0	84	0	1	5
B-C	0.0	0.0	-0.2366	-0.2366	7	0	0	53	0	0	5
B-F	-4.6741	0.0	-43.7444	-48.4184	49	1	0	2145	0	9	12
C-D	-35.5682	-45.7065	-77.2669	-158.5417	49	9	0	3188	8	32	40
C-E	-8.577	0.0	-8.5722	-17.1492	13	2	0	326	0	2	2
C-F	-5.655	20.6343	-128.762	-113.7828	68	1	2	5562	0	9	14
D-E	0.0	19.0651	-129.265	-110.1999	66	7	2	5616	0	7	14
D-F	0.0	0.0	-11.6513	-11.6513	16	1	0	373	0	1	2
E-F	-35.2751	-44.5703	-86.4635	-166.3089	50	7	0	3502	8	33	41

Interface residues

• A-B: ALA100A, ALA100B, ALA62A, ALA62B, ALA63A, ALA63B, ALA66A, ALA66B, ASN99A, ASN99B, ASP60A, ASP60B, ASP74A, ASP74B, CYS101A, CYS101B, CYS59A, CYS59B, CYS98A, CYS98B, GLN103A, GLN103B, GLN41A, GLN41B, GLN71A, GLN71B, GLN93B, GLU57A, GLU57B, GLY64A, GLY64B, GLY70A, GLY70B, HIS102A, HIS102B, ILE67A, ILE67B, LEU48A, LEU48B, LEU68A, LEU68B, LYS104A, LYS104B, LYS47A, LYS47B, LYS51A, LYS51B, LYS95A, LYS95B, MET58A, MET58B, PHE61A, PHE61B, PHE65A, PHE65B, PRO56A, PRO56B, SER55A, SER55B, THR96A, THR96B, THR97A, THR97B, TYR105A, TYR105B, VAL69A, VAL69B
• A-C: ALA37A, ALA40A, ALA43A, ALA62A, ALA62C, ALA63A, ALA63C, ALA66A, ALA66C, ARG34A, ARG34C, ASP39A, ASP39C, ASP54A, ASP54C, CYS59A, CYS59C, GLN41A, GLN41C, GLU49A, GLU49C, GLY64A, GLY64C, ILE67A, ILE67C, LEU38A, LEU38C, LYS42A, LYS42C, LYS51A, LYS51C, MET58A, MET58C, PHE61A, PHE61C, PHE65A, PHE65C, PRO53A, PRO53C, SER52A, SER52C, SER55A, SER55C, THR44A, THR44C, VAL69A, VAL69C
• A-F: ASP54A, ASP54F, CYS59A, CYS59F, PRO56A, PRO56F
• B-C: ASP54B, ASP54C, CYS59B, CYS59C, PRO56B, PRO56C, SER55C
• B-F: ALA37B, ALA37F, ALA40B, ALA40F, ALA43B, ALA43F, ALA62B, ALA62F, ALA63B, ALA63F, ALA66B, ALA66F, ARG34B, ARG34F, ASP39B, ASP39F, ASP50B, ASP54B, ASP54F, CYS59B, CYS59F, GLN41B, GLN41F, GLU49B, GLY64F, GLY70B, ILE67B, ILE67F, LEU38B, LEU38F, LYS42B, LYS42F, LYS51B, LYS51F, MET58B, MET58F, PHE61F, PHE65B, PHE65F, PRO53B, PRO53F, SER52B, SER52F, SER55B, SER55F, THR44B, THR44F, VAL69B, VAL69F
• C-D: ALA100C, ALA100D, ARG106C, ARG106D, ASN11C, ASN11D, ASN99C, ASN99D, ASP12C, ASP12D, ASP5C, ASP5D, CYS101C, CYS101D, CYS98C, CYS98D, GLN103C, GLN103D, GLN93D, GLU18C, GLU18D, GLU4C, GLU4D, GLU8C, GLU8D, GLU92C, GLU92D, HIS102C, HIS102D, LEU14C, LEU14D, LYS104C, LYS104D, LYS15C, LYS15D, LYS19C, LYS19D, LYS47C, LYS47D, LYS95C, LYS95D, MET7C, MET7D, PRO46C, PRO46D, THR96C, THR96D, TYR105C, TYR105D
• C-E: ALA100C, ALA100E, ASN99C, ASN99E, GLN103C, GLN103E, GLN93C, GLN93E, GLU92E, HIS102C, LYS104C, THR96C, THR96E
• C-F: ALA100C, ALA100F, ALA62C, ALA62F, ALA63C, ALA63F, ALA66C, ALA66F, ASN99C, ASN99F, ASP54F, ASP60C, ASP60F, ASP74C, ASP74F, CYS101C, CYS101F, CYS59C, CYS59F, CYS98C, CYS98F, GLN103C, GLN103F, GLN41C, GLN41F, GLN71C, GLN71F, GLN93F, GLU57C, GLU57F, GLY64C, GLY64F, GLY70C, GLY70F, HIS102C, HIS102F, ILE67C, ILE67F, LEU48C, LEU48F, LEU68C, LEU68F, LYS104C, LYS104F, LYS47C, LYS47F, LYS51C, LYS51F, LYS95C, LYS95F, MET58C, MET58F, PHE61C, PHE61F, PHE65C, PHE65F, PRO56C, PRO56F, SER55C, SER55F, THR96C, THR96F, THR97C, THR97F, TYR105C, TYR105F, VAL69C, VAL69F
• D-E: ALA100D, ALA100E, ALA62D, ALA62E, ALA63D, ALA63E, ALA66D, ALA66E, ASN99D, ASN99E, ASP60D, ASP60E, ASP74D, ASP74E, CYS101D, CYS101E, CYS59D, CYS59E, CYS98D, CYS98E, GLN103D, GLN103E, GLN41D, GLN41E, GLN71D, GLN71E, GLU57D, GLU57E, GLY64D, GLY64E, GLY70D, GLY70E, HIS102D, HIS102E, ILE67D, ILE67E, LEU48D, LEU48E, LEU68D, LEU68E, LYS104D, LYS104E, LYS47D, LYS47E, LYS51D, LYS51E, LYS95D, LYS95E, MET58D, MET58E, PHE61D, PHE61E, PHE65D, PHE65E, PRO56D, PRO56E, SER55D, SER55E, THR96D, THR96E, THR97D, THR97E, TYR105D, TYR105E, VAL69D, VAL69E
• D-F: ALA100D, ALA100F, ASN99D, ASN99F, GLN103D, GLN103F, GLN93D, GLN93F, GLU92D, GLU92F, HIS102D, HIS102F, LYS104D, LYS104F, THR96D, THR96F
• E-F: ALA100E, ALA100F, ARG106E, ARG106F, ASN11E, ASN11F, ASN99E, ASN99F, ASP12E, ASP12F, CYS101E, CYS101F, CYS98E, CYS98F, GLN103E, GLN103F, GLN93E, GLU18E, GLU18F, GLU49E, GLU4E, GLU4F, GLU8E, GLU8F, GLU92E, GLU92F, HIS102E, HIS102F, LEU10E, LEU10F, LEU14E, LEU14F, LYS104E, LYS104F, LYS15E, LYS15F, LYS19E, LYS19F, LYS47E, LYS47F, LYS95E, LYS95F, MET7E, MET7F, PRO46E, PRO46F, THR96E, THR96F, TYR105E, TYR105F