2ZD0

crytal structures and thermostability of mutant trap3 a5 (engineered trap)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 86
  • Norm. En. per Res.: -5.3104
• 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	-97.441	-52.8307	-237.386	-387.6578	82	10	7	9620	1	26	30
A-C	0.0	0.0	-0.1193	-0.1193	3	0	0	25	0	0	1
B-C	-98.3534	-80.4553	-277.883	-456.6917	86	8	9	10917	6	28	31

Interface residues

• A-B: ALA14B, ALA28A, ALA46A, ALA46B, ALA54A, ALA61A, ARG26A, ARG31A, ARG31B, ARG58A, ARG66A, ARG66B, ASP29A, ASP39B, ASP8A, ASP8B, GLN47A, GLN47B, GLN64A, GLN64B, GLU36B, GLU42B, GLU50B, GLY23A, GLY23B, GLY27A, GLY41B, GLY59A, GLY68A, GLY68B, HIS33B, HIS34B, HIS51B, HIS67A, HIS67B, ILE12A, ILE12B, ILE22A, ILE45B, ILE55A, ILE55B, ILE63A, ILE63B, LEU24A, LEU38B, LEU44B, LYS13B, LYS37B, LYS40B, LYS56A, LYS60A, PHE32A, PHE48A, PHE48B, PHE9A, PHE9B, SER35B, SER53A, SER7A, SER7B, THR25A, THR25B, THR30A, THR49A, THR49B, THR52A, THR52B, THR65A, THR65B, TYR62A, TYR62B, VAL10A, VAL10B, VAL11A, VAL11B, VAL19B, VAL21A, VAL21B, VAL43B, VAL57A, VAL69A, VAL69B
• A-C: ARG66A, HIS67A, PHE9C
• B-C: ALA14C, ALA28B, ALA46B, ALA46C, ALA54B, ALA61B, ARG26B, ARG31B, ARG58B, ARG66B, ARG66C, ASN20B, ASP29B, ASP39C, ASP8B, ASP8C, GLN47B, GLN47C, GLN64B, GLN64C, GLU36C, GLU42C, GLU50C, GLU71B, GLY23B, GLY23C, GLY27B, GLY41C, GLY59B, GLY68B, GLY68C, HIS33C, HIS34C, HIS51C, HIS67B, HIS67C, ILE12B, ILE12C, ILE22B, ILE45C, ILE55B, ILE55C, ILE63B, ILE63C, ILE70B, LEU15C, LEU24B, LEU38C, LEU44C, LYS13C, LYS37C, LYS40C, LYS56B, LYS60B, PHE32B, PHE48B, PHE48C, PHE9B, PHE9C, SER35C, SER53B, SER72B, SER7B, SER7C, THR25B, THR25C, THR30B, THR49B, THR49C, THR52B, THR52C, THR65B, THR65C, TYR62B, TYR62C, VAL10B, VAL10C, VAL11B, VAL11C, VAL19C, VAL21B, VAL21C, VAL43C, VAL57B, VAL69B, VAL69C