3A3T

the oxidoreductase nmdsba1 from n. meningitidis

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 23
  • Norm. En. per Res.: -2.3753
• 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	-5.1884	-20.2252	-29.2176	-54.6312	23	0	0	1226	3	20	16
A-C	0.0	29.2901	-87.2767	-57.9866	47	2	1	3724	2	19	20
B-D	0.0	0.0	-0.004	-0.004	2	0	0	2	0	0	1
B-E	-17.1848	-2.5097	-46.1063	-65.8008	35	3	3	1944	0	9	7
D-E	0.0	5.9651	-4.1377	1.8274	17	0	0	381	0	12	9
D-F	-7.1346	0.0	-38.4339	-45.5685	28	2	2	1461	0	4	6
E-F	0.0	30.0213	-86.1282	-56.1069	50	3	1	3758	2	18	21

Interface residues

• A-B: ALA104A, ALA105A, ALA150A, ALA151A, ASP107B, ASP144A, ASP76B, ASP77B, GLN42B, GLN43B, GLU153A, GLY145A, GLY45B, LEU149A, LYS134A, LYS146A, LYS147A, LYS46B, LYS75B, MET103A, MET78B, TYR79B, VAL148A
• A-C: ALA159A, ALA159C, ALA161A, ALA212C, ALA36C, ALA44C, ARG160A, ARG81C, ARG96A, ASN37A, ASN37C, ASP162A, ASP162C, GLN158A, GLN165A, GLN172C, GLN210C, GLN41C, GLN42C, GLN43C, GLU156A, GLU166A, GLU166C, GLU169A, GLU169C, GLY45C, ILE39C, LEU167A, LEU167C, LEU35C, LEU92A, LYS163A, LYS163C, LYS89A, MET103A, MET164A, PHE171A, PHE171C, PRO155A, PRO38C, PRO40A, PRO40C, SER154A, SER157A, THR168C, THR170A, THR170C
• B-D: ALA212B, LYS89D
• B-E: ALA104E, ALA105E, ALA112E, ALA142E, ALA36B, ASN37B, ASP107E, ASP144E, ASP174B, GLN140E, GLN172B, GLU139E, GLU166B, GLU169B, GLU28B, GLY138E, GLY145E, GLY175B, ILE173B, LEU137E, LEU35B, LYS146E, LYS147E, LYS186B, PHE143E, PHE171B, PRO38B, SER108E, THR141E, THR168B, THR170B, THR33B, VAL111E, VAL148E, VAL34B
• D-E: ALA150D, ALA151D, ALA44E, ASP144D, ASP76E, ASP77E, GLN42E, GLN43E, GLU153D, GLU156D, GLY45E, LEU149D, LYS146D, LYS147D, LYS46E, PRO155D, SER154D
• D-F: ALA142D, ALA36F, ASN37F, ASP144D, ASP174F, GLN140D, GLN172F, GLU139D, GLU169F, GLU28F, GLY138D, GLY145D, LEU137D, LEU35F, LYS146D, LYS147D, LYS186F, PHE143D, PHE171F, PRO38F, SER108D, THR141D, THR170F, THR33F, TRP136D, VAL111D, VAL148D, VAL34F
• E-F: ALA159E, ALA159F, ALA161F, ALA212E, ALA36E, ALA44E, ALA44F, ARG160F, ARG96F, ASN37E, ASN37F, ASP162E, ASP162F, GLN158F, GLN165F, GLN172E, GLN210E, GLN41E, GLN42E, GLN43E, GLU156F, GLU166E, GLU166F, GLU169E, GLU169F, GLU209E, GLY183E, GLY45E, ILE39E, LEU167E, LEU167F, LEU35E, LEU92F, LYS163E, LYS163F, LYS184E, LYS89F, MET103F, MET164F, PHE171E, PHE171F, PRO155F, PRO38E, PRO40E, PRO40F, SER154F, SER157F, THR168E, THR170E, THR170F