3IMB

alternative binding mode of restriction endonuclease bcni to cognate dna

• Total interactions analyzed: 66
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 39
  • Norm. En. per Res.: -2.5592
• 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	-57.8647	42.3189	-84.2634	-99.8092	39	4	1	3188	0	22	22
A-C	0.0	0.0	-1.4916	-1.4916	14	0	0	206	0	2	0
A-D	-10.1654	-34.2327	-20.7195	-65.1176	29	1	2	883	2	3	9
B-D	0.0	0.0	-0.0479	-0.0479	3	0	0	26	0	0	5

Interface residues

• A-B: ARG232A, ARG232B, ARG236A, ARG236B, ASN186A, ASN186B, ASN233A, ASN233B, ASP228A, ASP228B, GLU184A, GLU184B, GLU235A, GLU235B, HIS14A, HIS14B, ILE234A, ILE234B, LEU230B, LEU237A, LEU237B, LEU238A, LEU238B, LYS178A, LYS178B, LYS229A, LYS229B, LYS6A, LYS6B, MET181A, MET181B, THR183A, THR183B, TYR180A, TYR180B, TYR231A, TYR231B, VAL10A, VAL10B
• A-C: ASN50A, ASN50C, GLY212A, ILE51A, ILE51C, LEU53A, LEU53C, LYS211A, LYS211C, MET1A, MET1C, SER210A, SER210C, THR52A
• A-D: ALA69A, ARG118A, ASN102D, ASN120A, ASN121A, ASN121D, ASP194A, GLU104D, GLY116A, GLY117A, GLY195A, GLY94D, LEU119A, LEU122D, LYS115A, LYS226A, LYS68A, LYS70A, LYS97D, MET106D, PHE93D, PRO103D, PRO223A, PRO98D, SER208D, SER225A, TYR95D, VAL105D, VAL96D
• B-D: ARG118B, ARG118D, LYS115B