3M9H

crystal structure of the amino terminal coiled coil domain of the mycobacterium tuberculosis proteasomal atpase mpa

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 81
  • Norm. En. per Res.: -5.3212
• Hub Node: A(5)

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	0.0	-6.4136	-6.4136	33	0	0	1084	0	4	4
A-C	-66.7437	-124.4112	-239.865	-431.0199	81	18	10	10819	7	24	34
A-D	-24.6044	-34.2904	-205.833	-264.7278	84	17	19	10087	7	26	35
A-E	0.0	9.3551	-51.3426	-41.9875	30	3	0	2443	1	14	14
A-F	0.0	0.0	-1.8821	-1.8821	8	0	0	81	1	5	5
B-C	-21.328	-41.2507	-231.247	-293.8257	84	21	17	10122	9	26	35
B-D	-63.8888	-99.1628	-249.161	-412.2126	80	13	12	10905	5	24	35
B-F	0.0	0.0	-1.4053	-1.4053	7	0	0	157	0	0	4
C-D	0.0	0.0	-6.0867	-6.0867	32	0	0	1076	0	4	5
C-F	-3.6003	2.8305	-57.3242	-58.094	31	3	0	2505	1	14	13
D-E	0.0	-17.0633	-47.7777	-64.841	33	0	7	1937	0	14	10

Interface residues

• A-B: ALA80A, ALA80B, ARG69A, ARG69B, ARG88A, ARG88B, ASN70A, ASN70B, GLN83A, GLN83B, ILE56A, ILE56B, ILE63A, ILE63B, LEU59A, LEU59B, LEU66A, LEU66B, LEU73A, LEU73B, LEU77A, LEU77B, LEU84A, LEU84B, LEU87A, LEU87B, LEU94A, LEU94B, MET74B, THR76A, THR76B, VAL91A, VAL91B
• A-C: ALA53C, ALA61A, ALA61C, ALA68A, ALA68C, ALA80A, ALA80C, ALA86A, ALA86C, ARG54A, ARG54C, ARG62A, ARG62C, ARG69A, ARG69C, ARG81A, ARG81C, ARG88A, ARG88C, ARG93A, ARG93C, ASN70A, ASN70C, ASP55A, ASP55C, ASP64A, ASP64C, ASP92A, ASP92C, GLN58A, GLN58C, GLN82A, GLN82C, GLN83A, GLN83C, GLU60A, GLU60C, GLU75A, GLU75C, GLU79A, GLU79C, GLU89A, GLU89C, GLU90A, GLU90C, ILE56A, ILE56C, ILE63A, ILE63C, LEU59A, LEU59C, LEU66A, LEU66C, LEU73A, LEU73C, LEU77A, LEU77C, LEU84A, LEU84C, LEU85A, LEU85C, LEU87A, LEU87C, LEU94A, LEU94C, LYS72A, LYS72C, LYS78A, LYS78C, MET74A, MET74C, SER52A, SER52C, SER65A, SER65C, SER71A, SER71C, THR76A, THR76C, VAL91A, VAL91C
• A-D: ALA53A, ALA53D, ALA61A, ALA61D, ALA67A, ALA67D, ALA68A, ALA68D, ALA80A, ALA80D, ALA86A, ALA86D, ARG62A, ARG62D, ARG69A, ARG69D, ARG81A, ARG81D, ARG88A, ARG88D, ARG93A, ARG93D, ASN70A, ASN70D, ASP55A, ASP55D, ASP64A, ASP64D, ASP92A, ASP92D, GLN58A, GLN58D, GLN82A, GLN82D, GLN83A, GLN83D, GLU60A, GLU60D, GLU75A, GLU75D, GLU79A, GLU79D, GLU89A, GLU89D, GLU90A, GLU90D, HIS57A, HIS57D, ILE56A, ILE56D, ILE63A, ILE63D, LEU59A, LEU59D, LEU66A, LEU66D, LEU73A, LEU73D, LEU77A, LEU77D, LEU84A, LEU84D, LEU85A, LEU85D, LEU87A, LEU87D, LEU94A, LEU94D, LYS72A, LYS72D, LYS78A, LYS78D, MET74A, MET74D, SER52A, SER52D, SER65A, SER65D, SER71A, SER71D, THR76A, THR76D, VAL91A, VAL91D
• A-E: ALA67E, ALA68E, ALA86A, ARG69E, ARG81A, ARG81E, ARG88A, ARG93A, ASN70E, ASP64E, ASP92A, GLN82A, GLN82E, GLN83A, GLU75E, GLU79A, GLU79E, GLU89A, LEU73E, LEU77E, LEU84A, LEU85A, LYS72E, LYS78A, LYS78E, MET74A, MET74E, SER65E, SER71E, THR76E
• A-F: ALA86F, ARG88F, GLN83A, GLU79A, GLU89F, LEU85F, LYS72A, THR76A
• B-C: ALA53B, ALA53C, ALA61B, ALA61C, ALA67B, ALA67C, ALA68B, ALA68C, ALA80B, ALA80C, ALA86B, ALA86C, ARG62B, ARG62C, ARG69B, ARG69C, ARG81B, ARG81C, ARG88B, ARG88C, ARG93B, ARG93C, ASN70B, ASN70C, ASP55B, ASP55C, ASP64B, ASP64C, ASP92B, ASP92C, GLN58B, GLN58C, GLN82B, GLN82C, GLN83B, GLN83C, GLU60B, GLU60C, GLU75B, GLU75C, GLU79B, GLU79C, GLU89B, GLU89C, GLU90B, GLU90C, HIS57B, HIS57C, ILE56B, ILE56C, ILE63B, ILE63C, LEU59B, LEU59C, LEU66B, LEU66C, LEU73B, LEU73C, LEU77B, LEU77C, LEU84B, LEU84C, LEU85B, LEU85C, LEU87B, LEU87C, LEU94B, LEU94C, LYS72B, LYS72C, LYS78B, LYS78C, MET74B, MET74C, SER52B, SER52C, SER65B, SER65C, SER71B, SER71C, THR76B, THR76C, VAL91B, VAL91C
• B-D: ALA61B, ALA61D, ALA68B, ALA68D, ALA80B, ALA80D, ALA86B, ALA86D, ARG54B, ARG54D, ARG62B, ARG62D, ARG69B, ARG69D, ARG81B, ARG81D, ARG88B, ARG88D, ARG93B, ARG93D, ASN70B, ASN70D, ASP55B, ASP55D, ASP64B, ASP64D, ASP92B, ASP92D, GLN58B, GLN58D, GLN82B, GLN82D, GLN83B, GLN83D, GLU60B, GLU60D, GLU75B, GLU75D, GLU79B, GLU79D, GLU89B, GLU89D, GLU90B, GLU90D, ILE56B, ILE56D, ILE63B, ILE63D, LEU59B, LEU59D, LEU66B, LEU66D, LEU73B, LEU73D, LEU77B, LEU77D, LEU84B, LEU84D, LEU85B, LEU85D, LEU87B, LEU87D, LEU94B, LEU94D, LYS72B, LYS72D, LYS78B, LYS78D, MET74B, MET74D, SER52B, SER52D, SER65B, SER65D, SER71B, SER71D, THR76B, THR76D, VAL91B, VAL91D
• B-F: ARG81B, ARG81F, LEU77B, LYS78B, LYS78F, MET74B, MET74F
• C-D: ALA80C, ALA80D, ARG69C, ARG69D, ARG88C, ARG88D, ASN70C, ASN70D, GLN83C, ILE56C, ILE56D, ILE63C, ILE63D, LEU59C, LEU59D, LEU66C, LEU66D, LEU73C, LEU73D, LEU77C, LEU77D, LEU84C, LEU84D, LEU87C, LEU87D, LEU94C, LEU94D, MET74D, THR76C, THR76D, VAL91C, VAL91D
• C-F: ALA67C, ALA68C, ALA86F, ARG69C, ARG81C, ARG81F, ARG88F, ARG93F, ASN70C, ASP64C, ASP92F, GLN82C, GLN82F, GLN83F, GLU75C, GLU79C, GLU79F, GLU89F, LEU73C, LEU77C, LEU77F, LEU84F, LEU85F, LYS72C, LYS78C, LYS78F, MET74C, MET74F, SER65C, SER71C, THR76C
• D-E: ALA61D, ALA61E, ALA67D, ALA67E, ALA68D, ALA68E, ARG62D, ARG62E, ARG69D, ARG69E, ARG81E, ASN70D, ASN70E, ASP64D, ASP64E, GLU60D, GLU60E, GLU75D, GLU75E, ILE63D, ILE63E, LEU66D, LEU66E, LYS72D, LYS72E, LYS78D, LYS78E, MET74D, MET74E, SER65D, SER65E, SER71D, SER71E