3RYM

structure of oxidized m98k mutant of amicyanin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -2.6975
• 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	-25.9427	-43.2094	-87.302	-156.4541	58	13	5	4898	2	23	11
A-C	-4.3085	36.0435	-84.2813	-52.5463	54	3	0	3653	6	33	31
A-D	0.0	0.0	-0.9584	-0.9584	8	0	0	167	0	6	5
B-C	-8.2201	24.8963	-12.7572	3.919	16	1	0	400	0	2	9
B-D	-7.38	41.2802	-73.6335	-39.7333	49	3	0	3432	6	34	32
C-D	-14.7863	-26.8767	-94.0831	-135.7461	59	10	5	4796	0	24	11

Interface residues

• A-B: ALA12B, ALA13B, ALA14B, ALA17B, ALA20B, ALA26A, ALA59A, ALA77B, ARG99A, ASP18B, ASP41B, ASP89A, CYS92A, GLU15B, GLY100A, GLY19B, GLY40B, GLY60A, HIS36B, HIS56A, HIS91A, HIS95A, ILE21B, ILE46B, ILE5B, LEU35B, LEU80B, LYS101A, LYS27A, LYS29A, LYS38B, LYS98A, MET28A, MET51A, PHE11B, PHE82B, PHE97A, PRO33A, PRO6B, PRO94A, PRO96A, SER79B, SER7B, THR42B, THR44B, THR4B, THR81B, THR83B, THR87A, THR93A, TYR30A, VAL16B, VAL22B, VAL37B, VAL39B, VAL43B, VAL58A, VAL61A
• A-C: ALA20A, ALA20C, ALA26A, ALA26C, ARG48A, ARG48C, ARG99A, ASP24A, ASP24C, GLU105A, GLU105C, GLU31A, GLU31C, GLU34A, GLU34C, GLU75A, GLY19A, GLY19C, HIS36A, HIS36C, ILE21A, ILE21C, ILE25A, ILE25C, ILE46A, ILE46C, LEU35A, LEU35C, LYS101A, LYS101C, LYS27C, LYS29A, LYS29C, LYS38A, LYS38C, LYS74A, MET28A, MET28C, PRO33A, PRO33C, THR32A, THR32C, THR44C, TYR30A, TYR30C, VAL103A, VAL103C, VAL16C, VAL22A, VAL22C, VAL23A, VAL23C, VAL37A, VAL37C
• A-D: ARG99A, ARG99D, GLU34A, GLU34D, LYS101A, LYS101D, PRO33A, PRO33D
• B-C: ALA17B, ALA17C, ALA20B, ALA20C, ARG48B, ARG48C, ASP18B, ASP18C, GLY19B, GLY19C, ILE21C, ILE46B, VAL16B, VAL16C, VAL22B, VAL22C
• B-D: ALA20B, ALA20D, ALA26B, ALA26D, ARG48B, ARG48D, ASP18B, ASP24B, ASP24D, GLU105B, GLU105D, GLU31B, GLU31D, GLU34B, GLU34D, GLY19B, GLY19D, HIS36B, HIS36D, ILE21B, ILE21D, ILE25B, ILE25D, ILE46B, ILE46D, LEU35B, LEU35D, LYS101D, LYS27B, LYS29B, LYS29D, LYS38B, LYS38D, MET28B, MET28D, PRO33B, PRO33D, THR32B, THR32D, TYR30B, TYR30D, VAL103B, VAL103D, VAL22B, VAL22D, VAL23B, VAL23D, VAL37B, VAL37D
• C-D: ALA12C, ALA13C, ALA14C, ALA17C, ALA20C, ALA26D, ALA59D, ALA77C, ARG99D, ASP18C, ASP41C, ASP89D, CYS92D, GLU15C, GLU31D, GLY100D, GLY19C, GLY40C, GLY60D, HIS36C, HIS56D, HIS91D, HIS95D, ILE21C, ILE46C, ILE5C, LEU35C, LEU80C, LYS101D, LYS27D, LYS29D, LYS38C, LYS98D, MET28D, MET51D, PHE11C, PHE82C, PHE97D, PRO33D, PRO6C, PRO94D, PRO96D, SER79C, SER7C, THR42C, THR44C, THR4C, THR81C, THR83C, THR87D, THR93D, TYR30D, VAL16C, VAL22C, VAL37C, VAL39C, VAL43C, VAL58D, VAL61D