3G50

crystal structure of nisod d3a mutant at 1.9 a

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 40
  • Norm. En. per Res.: -2.5607
• 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	-9.4598	-11.7224	-80.8604	-102.0425	42	6	1	3351	2	15	16
A-C	-9.7728	-7.3743	-84.9823	-102.1294	42	8	1	3498	2	15	18
B-C	-13.9075	-8.1678	-80.3511	-102.4264	40	6	1	3424	2	15	18

Interface residues

• A-B: ALA40A, ALA40B, ALA48A, ALA87A, ALA88A, ARG39A, ARG39B, ARG47B, ASP33B, ASP93A, GLN25A, GLN37A, GLN37B, GLN46A, GLN46B, GLU45A, GLU45B, GLU49A, GLY90A, HIS35A, HIS35B, ILE43A, ILE43B, LYS44A, LYS52A, LYS89A, LYS92A, MET28A, PHE36A, PHE36B, PRO34A, PRO34B, SER86A, SER91A, THR38A, THR38B, THR41A, THR41B, THR96A, VAL24A, VAL42A, VAL42B
• A-C: ALA40A, ALA40C, ALA48C, ALA87C, ALA88C, ARG39A, ARG39C, ARG47A, ASP33A, ASP93C, GLN25C, GLN37A, GLN37C, GLN46A, GLN46C, GLU45C, GLU49C, GLY90C, HIS35A, HIS35C, ILE43A, ILE43C, LEU85C, LYS44C, LYS52C, LYS89C, LYS92C, MET28C, PHE36A, PHE36C, PRO34A, PRO34C, SER86C, SER91C, THR38A, THR38C, THR41A, THR41C, THR96C, VAL24C, VAL42A, VAL42C
• B-C: ALA40B, ALA40C, ALA48B, ALA87B, ALA88B, ARG39B, ARG39C, ARG47C, ASP33C, ASP93B, GLN25B, GLN37B, GLN37C, GLN46B, GLN46C, GLU45B, GLU49B, GLY90B, HIS35C, ILE43B, ILE43C, LEU85B, LYS44B, LYS52B, LYS89B, LYS92B, MET28B, PHE36C, PRO34B, PRO34C, SER86B, SER91B, THR38B, THR38C, THR41B, THR41C, THR96B, VAL24B, VAL42B, VAL42C