3AA9

crystal structure analysis of the mutant cuta1 (e61v) from e. coli

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 98
  • Norm. En. per Res.: -4.5518
• Hub Node: A(2)

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	-98.061	-30.7321	-283.334	-412.1272	98	14	19	12316	2	11	8
A-C	-88.8417	-27.6689	-310.331	-426.8416	100	14	18	12916	3	12	8
B-C	-109.6638	-39.5246	-296.885	-446.0734	98	17	19	12395	5	13	8

Interface residues

• A-B: ALA24B, ALA28B, ALA29B, ALA33B, ALA37B, ALA38B, ALA40B, ALA46A, ALA46B, ALA75A, ASP100B, ASP102B, ASP26B, CYS39B, GLN25B, GLN58A, GLN63A, GLN63B, GLN73A, GLN74A, GLN87A, GLU21B, GLU34B, GLU53A, GLU57A, GLU59A, GLU78A, GLU90A, GLY45A, GLY45B, GLY54A, GLY99B, HIS98B, ILE43A, ILE43B, ILE65A, ILE65B, LEU104B, LEU107B, LEU15A, LEU15B, LEU27B, LEU32B, LEU36B, LEU42B, LEU49A, LEU56A, LEU66B, LEU77A, LEU80A, LEU91A, LEU92A, LEU94A, LEU94B, LYS30B, LYS35B, LYS67B, LYS81A, MET64A, MET64B, PRO44A, PRO44B, PRO89A, PRO95A, PRO95B, SER105B, SER110B, SER11B, SER48A, THR101B, THR17A, THR41B, THR47A, THR68B, THR88A, THR97A, THR97B, TRP106B, TRP52A, TYR103B, TYR50A, TYR51A, TYR60A, TYR86A, VAL12A, VAL12B, VAL13A, VAL13B, VAL14A, VAL14B, VAL31B, VAL61A, VAL62A, VAL62B, VAL70A, VAL93A, VAL96A, VAL96B
• A-C: ALA22A, ALA24A, ALA28A, ALA29A, ALA33A, ALA37A, ALA38A, ALA40A, ALA46A, ALA46C, ALA75C, ASN108A, ASP100A, ASP102A, ASP26A, CYS16C, CYS39A, GLN25A, GLN58C, GLN63A, GLN63C, GLN73C, GLN74C, GLN87C, GLU21A, GLU34A, GLU53C, GLU57C, GLU59C, GLU78C, GLU90C, GLY45A, GLY45C, GLY54C, GLY99A, HIS84C, HIS98A, ILE43A, ILE43C, ILE65A, ILE65C, LEU104A, LEU107A, LEU15A, LEU15C, LEU27A, LEU32A, LEU42A, LEU49C, LEU56C, LEU66A, LEU77C, LEU80C, LEU91C, LEU92C, LEU94A, LEU94C, LYS30A, LYS35A, LYS67A, LYS81C, MET64A, MET64C, PRO44A, PRO44C, PRO89C, PRO95A, PRO95C, SER105A, SER110A, SER11A, SER48C, THR101A, THR17C, THR41A, THR47C, THR68A, THR88C, THR97A, THR97C, TRP106A, TRP52C, TYR103A, TYR50C, TYR51C, TYR60C, VAL12A, VAL12C, VAL13A, VAL13C, VAL14A, VAL14C, VAL31A, VAL61C, VAL62A, VAL62C, VAL70C, VAL93C, VAL96A, VAL96C
• B-C: ALA109C, ALA24C, ALA28C, ALA29C, ALA33C, ALA37C, ALA38C, ALA40C, ALA46B, ALA46C, ALA75B, ASP100C, ASP102C, ASP26C, CYS16B, CYS39C, GLN25C, GLN58B, GLN63B, GLN63C, GLN73B, GLN74B, GLN87B, GLU21C, GLU34C, GLU57B, GLU59B, GLU78B, GLU90B, GLY45B, GLY54B, GLY99C, HIS98C, ILE43B, ILE43C, ILE65B, ILE65C, LEU104C, LEU107C, LEU15B, LEU15C, LEU27C, LEU32C, LEU42C, LEU49B, LEU56B, LEU66C, LEU77B, LEU80B, LEU91B, LEU92B, LEU94B, LEU94C, LYS30C, LYS35C, LYS55B, LYS67C, LYS81B, MET64B, MET64C, PRO44B, PRO44C, PRO89B, PRO95B, PRO95C, SER105C, SER110C, SER11B, SER11C, SER48B, THR101C, THR17B, THR41C, THR47B, THR68C, THR88B, THR97B, THR97C, TRP106C, TRP52B, TYR103C, TYR50B, TYR51B, TYR60B, VAL12B, VAL12C, VAL13B, VAL13C, VAL14B, VAL14C, VAL31C, VAL61B, VAL62B, VAL62C, VAL70B, VAL93B, VAL96B, VAL96C