2OPE

crystal structure of the neisseria meningitidis minor type iv pilin, pilx, in space group p43

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 43
  • Norm. En. per Res.: -2.9992
• 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	0.0	-5.0188	-151.259	-156.2778	54	5	4	6317	0	21	20
A-C	0.0	11.9853	-17.924	-5.9387	33	0	0	1045	0	16	14
A-D	-29.4047	-6.7908	-92.7695	-128.965	43	7	2	4066	4	21	18
B-C	-29.8337	-11.1567	-87.1632	-128.1537	43	5	2	4080	4	19	19
B-D	0.0	10.013	-14.9076	-4.8946	32	0	0	955	0	15	13
C-D	0.0	0.0	-0.2724	-0.2724	10	0	0	93	0	0	3

Interface residues

• A-B: ALA97A, ALA97B, ARG96A, ARG96B, ASN117A, ASN117B, ASN44A, ASN44B, ASN45A, ASN54A, ASN54B, ASN59A, ASN59B, ASN91A, ASN91B, ASP57A, ASP57B, ASP58A, ASP58B, GLN49A, GLN49B, GLN60A, GLU93A, GLU93B, GLY120A, GLY120B, ILE51A, ILE51B, ILE62A, ILE62B, LEU52A, LEU52B, LEU56A, LEU56B, LYS48A, LYS48B, LYS53A, LYS53B, LYS94A, LYS94B, PHE50A, PHE50B, PRO55A, PRO55B, PRO95A, PRO95B, SER118A, SER118B, SER47A, SER47B, TYR98A, TYR98B, VAL119A, VAL119B
• A-C: ARG132C, ARG68A, ARG68C, ASN59A, ASN84C, ASP57A, ASP58A, GLN60A, GLN60C, GLU67A, GLU67C, GLU93A, GLY72C, HIS88A, HIS88C, LEU56A, LYS105C, LYS63A, LYS63C, LYS92A, PHE89C, SER64A, SER71C, SER86C, THR106C, THR61A, TYR73C, TYR83C, VAL101C, VAL103C, VAL70C, VAL85C, VAL87C
• A-D: ALA133A, ALA97A, ARG68D, ARG96D, ASN117A, ASN59D, ASN91A, ASP121A, ASP57D, ASP58D, GLN60D, GLU136A, GLU67D, GLU93A, GLY120A, GLY143A, HIS134A, ILE62D, LEU135A, LEU56D, LEU66D, LYS63D, LYS65D, LYS92A, LYS94A, PHE50D, PHE69D, PHE89A, PHE89D, PRO55D, PRO95D, SER118A, SER130A, SER64D, SER71D, SER99A, THR137A, THR61D, TRP115A, TYR123A, TYR98A, VAL119A, VAL90A
• B-C: ALA133B, ALA97B, ARG68C, ARG96B, ARG96C, ASN117B, ASN59C, ASN91B, ASP121B, ASP57C, ASP58C, GLN60C, GLU136B, GLU67C, GLU93B, GLY120B, HIS134B, ILE62C, LEU135B, LEU56C, LEU66C, LYS63C, LYS65C, LYS92B, LYS94B, MET116B, PHE50C, PHE69C, PHE89B, PHE89C, PRO55C, SER118B, SER130B, SER64C, SER71C, SER99B, THR137B, THR61C, TRP115B, TYR123B, TYR98B, VAL119B, VAL90B
• B-D: ALA129D, ALA80D, ARG132D, ARG68B, ARG68D, ASN59B, ASN84D, ASP58B, GLN60B, GLN60D, GLU67B, GLU67D, GLU93B, GLY72D, HIS88B, HIS88D, LEU56B, LYS105D, LYS63B, LYS63D, LYS92B, PHE89B, SER64B, SER71D, SER86D, THR106D, TYR83D, VAL101D, VAL103D, VAL70D, VAL85D, VAL87D
• C-D: ARG68C, ARG68D, GLY72C, GLY72D, LYS105C, LYS105D, LYS74C, LYS74D, PHE69D, TYR73D