2K1E

nmr studies of a channel protein without membranes: structure and dynamics of water-solubilized kcsa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 92
  • Norm. En. per Res.: -3.2398
• 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	-37.762	-58.5698	-201.727	-298.0588	92	2	7	8558	4	34	33
A-C	0.0	0.0	-0.2692	-0.2692	17	0	1	102	0	0	0
A-D	-17.1339	-87.9499	-184.794	-289.8778	96	7	9	8561	9	30	34
B-C	-24.3103	-23.0132	-168.562	-215.8855	91	10	8	7418	3	30	38
B-D	0.0	0.0	-0.7597	-0.7597	13	0	0	118	0	0	0
C-D	-14.5145	-67.1385	-198.938	-280.591	90	5	8	8221	5	34	41

Interface residues

• A-B: ALA2B, ALA44A, ALA52A, ALA71B, ALA83B, ALA87B, ALA88A, ALA88B, ALA8A, ALA90A, ALA90B, ARG100A, ARG60A, ARG60B, ARG68B, ARG95A, ARG95B, ARG96A, ASP3B, ASP43A, ASP59A, ASP59B, ASP92A, ASP92B, GLN16A, GLN73B, GLN9A, GLU12A, GLU50A, GLU50B, GLU5B, GLU65B, GLU66B, GLU72B, GLU7B, GLU80B, GLU97A, GLU97B, GLU98B, GLU99A, GLY56A, GLY56B, GLY58A, GLY58B, GLY67B, HIS4B, ILE45A, ILE79A, ILE79B, LEU15A, LEU19A, LEU84B, LEU89A, LEU89B, LYS69B, LYS76B, MET75B, PHE82A, PHE82B, PHE93A, PHE93B, PRO42A, PRO62B, SER48A, THR51A, THR51B, THR53A, THR53B, THR54A, THR54B, THR64B, THR86A, THR86B, THR91A, THR91B, TRP46A, TRP47A, TRP47B, TYR57A, TYR57B, TYR61B, VAL49A, VAL55A, VAL55B, VAL63B, VAL70B, VAL81A, VAL81B, VAL85A, VAL85B, VAL94A, VAL94B
• A-C: ALA90A, ALA90C, ARG68A, GLY56A, GLY56C, GLY58C, LEU89A, LEU89C, PHE93A, PHE93C, THR86A, THR86C, TYR57A, TYR57C, TYR61C, VAL55A, VAL55C
• A-D: ALA2A, ALA44D, ALA52A, ALA52D, ALA71A, ALA83A, ALA83D, ALA87A, ALA88A, ALA88D, ALA90A, ALA90D, ARG100D, ARG60A, ARG60D, ARG68A, ARG6A, ARG95A, ARG95D, ARG96D, ASP3A, ASP43D, ASP59A, ASP59D, ASP92A, ASP92D, GLN16D, GLN73A, GLN9D, GLU12D, GLU50A, GLU50D, GLU65A, GLU66A, GLU72A, GLU7A, GLU80A, GLU97A, GLU97D, GLU98A, GLU99D, GLY56A, GLY56D, GLY58A, GLY58D, GLY67A, HIS4A, ILE45D, ILE79A, LEU15D, LEU19D, LEU38A, LEU84A, LEU89A, LEU89D, LYS69A, LYS76A, MET75A, PHE82A, PHE82D, PHE93A, PHE93D, PRO42D, PRO62A, SER48A, SER48D, THR51A, THR51D, THR53A, THR53D, THR54A, THR54D, THR64A, THR86A, THR86D, THR91A, THR91D, TRP46D, TRP47A, TRP47D, TYR57A, TYR57D, TYR61A, VAL49A, VAL49D, VAL55A, VAL55D, VAL63A, VAL70A, VAL74A, VAL81A, VAL81D, VAL85A, VAL85D, VAL94A, VAL94D
• B-C: ALA22C, ALA52B, ALA52C, ALA71C, ALA83C, ALA87C, ALA88B, ALA88C, ALA90B, ALA90C, ARG100B, ARG60B, ARG60C, ARG68C, ARG95B, ARG96B, ASP3C, ASP43B, ASP59B, ASP59C, ASP92B, ASP92C, GLN16B, GLN9B, GLU12B, GLU50B, GLU50C, GLU65C, GLU66C, GLU72C, GLU7C, GLU80C, GLU98C, GLU99B, GLY56B, GLY56C, GLY58B, GLY58C, GLY67C, HIS103C, HIS4C, ILE45B, ILE79B, ILE79C, LEU15B, LEU19B, LEU38C, LEU84C, LEU89B, LEU89C, LYS69C, LYS76C, MET75C, PHE82B, PHE82C, PHE93B, PHE93C, PRO42B, PRO62C, SER48B, SER48C, THR51B, THR51C, THR53B, THR53C, THR54B, THR54C, THR64C, THR86B, THR86C, THR91B, THR91C, TRP46B, TRP47B, TRP47C, TYR57B, TYR57C, TYR61C, VAL49B, VAL49C, VAL55B, VAL55C, VAL63C, VAL70C, VAL74C, VAL81B, VAL81C, VAL85B, VAL85C, VAL94B, VAL94C
• B-D: ALA90B, ALA90D, ARG68B, PHE93B, PHE93D, THR54B, THR86B, THR86D, TYR57D, VAL55B, VAL55D, VAL94B, VAL94D
• C-D: ALA2D, ALA44C, ALA52C, ALA52D, ALA71D, ALA83D, ALA87D, ALA88C, ALA88D, ALA90C, ALA90D, ARG100C, ARG60C, ARG60D, ARG68D, ARG95C, ARG95D, ARG96C, ASP3D, ASP43C, ASP59C, ASP59D, ASP92C, ASP92D, GLN16C, GLN73D, GLN9C, GLU12C, GLU50C, GLU50D, GLU65D, GLU66D, GLU72D, GLU7D, GLU80D, GLU97C, GLU97D, GLU98D, GLU99C, GLY56C, GLY56D, GLY58C, GLY58D, GLY67D, HIS4D, ILE45C, ILE79D, LEU15C, LEU19C, LEU38D, LEU84D, LEU89C, LEU89D, LYS69D, LYS76D, MET75D, PHE82C, PHE82D, PHE93C, PHE93D, PRO42C, PRO62D, SER48C, THR51C, THR51D, THR53C, THR53D, THR54C, THR54D, THR64D, THR86C, THR86D, THR91C, THR91D, TRP46C, TRP47C, TRP47D, TYR57C, TYR57D, TYR61D, VAL49C, VAL55C, VAL55D, VAL63D, VAL70D, VAL81C, VAL85C, VAL85D, VAL94C, VAL94D