3A7O

the crystal structure of the coiled-coil domain of saccharomyces cerevisiae atg16

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 107
  • Norm. En. per Res.: -3.0222
• 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	-11.5793	11.5716	-296.253	-296.2606	110	13	23	14643	0	40	48
A-C	0.0	0.0	-0.1425	-0.1425	6	0	0	36	0	4	1
A-D	-16.5331	-16.9554	-52.2676	-85.7561	29	2	2	2634	1	9	8
B-C	-11.8522	-13.0954	-47.8324	-72.78	30	3	3	2526	1	8	6
B-D	0.0	20.3873	-16.9929	3.3944	24	0	0	782	0	14	5
C-D	-22.1317	-2.3011	-298.942	-323.3748	107	10	23	14291	4	38	48
C-E	0.0	0.0	-0.0234	-0.0234	5	0	0	9	0	3	0
C-F	0.0	-17.8694	-32.4448	-50.3141	27	5	2	2131	1	10	6
D-E	0.0	-9.8366	-34.4961	-44.3327	26	1	3	1825	0	11	6
D-F	-6.6746	8.859	-22.0058	-19.8213	16	0	0	945	0	12	11
E-F	-24.2148	19.5526	-313.359	-318.0211	115	10	26	14920	2	37	49

Interface residues

• A-B: ALA63A, ALA63B, ALA69A, ALA69B, ALA90A, ALA90B, ARG83A, ARG83B, ARG84A, ARG84B, ARG98A, ARG98B, ASN100A, ASN100B, ASN110A, ASN110B, ASN111A, ASN111B, ASN66A, ASN66B, ASN93A, ASN93B, ASN95A, ASN95B, ASP101A, ASP101B, ASP61A, ASP61B, ASP62A, ASP62B, GLN114A, GLN114B, GLN115A, GLN72A, GLN72B, GLN80A, GLN80B, GLU102A, GLU102B, GLU109A, GLU109B, GLU74A, GLU74B, GLU79A, GLU79B, GLU81A, GLU81B, GLU87A, GLU87B, GLU97A, GLU97B, GLY106A, GLY106B, HIS60A, ILE104A, ILE104B, ILE108B, ILE70A, ILE70B, ILE82A, ILE82B, ILE89A, ILE89B, LEU103A, LEU103B, LEU113A, LEU113B, LEU117A, LEU64A, LEU64B, LEU65A, LEU65B, LEU68A, LEU68B, LEU71A, LEU71B, LEU75A, LEU75B, LEU85A, LEU85B, LEU99A, LEU99B, LYS116A, LYS73A, LYS73B, LYS76A, LYS76B, LYS78A, LYS78B, LYS86A, LYS86B, LYS92A, LYS92B, LYS94A, LYS94B, SER105A, SER105B, SER118A, SER77A, SER77B, THR107A, THR107B, THR67A, THR67B, THR96A, THR96B, VAL112A, VAL112B, VAL88A, VAL88B
• A-C: ARG98A, ARG98C, ASN95A, GLU102A, LEU99A, LEU99C
• A-D: ALA90A, ARG83A, ARG84A, ARG98D, ASN100D, ASN111D, ASN93A, ASN95A, ASP101D, GLN80A, GLU102D, GLU109D, GLU87A, GLU97D, GLY106D, ILE104D, ILE108D, ILE89A, LEU103D, LEU85A, LEU91A, LEU99A, LYS86A, LYS92A, LYS94A, SER105D, THR107D, VAL112D, VAL88A
• B-C: ALA90C, ARG83C, ARG84C, ARG98C, ASN100B, ASN110B, ASN111B, ASN93C, ASN95C, ASP101B, GLN80C, GLU102B, GLU109B, GLU81C, GLU87C, GLU97B, GLY106B, ILE104B, ILE108B, ILE89C, LEU103B, LEU85C, LEU91C, LEU99C, LYS86C, LYS92C, SER105B, THR107B, VAL112B, VAL88C
• B-D: ALA90B, ALA90D, ARG98B, ARG98D, ASN100B, ASN100D, ASN93B, ASN93D, ASN95B, ASP101B, ASP101D, GLU97B, GLU97D, ILE104B, ILE104D, ILE108B, ILE89B, ILE89D, LYS92B, LYS92D, LYS94B, LYS94D, THR96B, THR96D
• C-D: ALA63C, ALA63D, ALA69C, ALA69D, ALA90C, ALA90D, ARG83C, ARG83D, ARG84C, ARG84D, ARG98C, ARG98D, ASN100C, ASN100D, ASN110C, ASN110D, ASN111C, ASN111D, ASN66C, ASN66D, ASN93C, ASN93D, ASN95C, ASN95D, ASP101C, ASP101D, ASP61C, ASP61D, ASP62C, ASP62D, GLN72C, GLN72D, GLN80C, GLN80D, GLU102C, GLU102D, GLU109C, GLU109D, GLU74C, GLU74D, GLU79C, GLU79D, GLU81C, GLU81D, GLU87C, GLU87D, GLU97C, GLU97D, GLY106C, GLY106D, HIS60C, HIS60D, ILE104C, ILE104D, ILE108C, ILE108D, ILE70C, ILE70D, ILE82C, ILE82D, ILE89C, ILE89D, LEU103C, LEU103D, LEU113D, LEU64C, LEU64D, LEU65C, LEU65D, LEU68C, LEU68D, LEU71C, LEU71D, LEU75C, LEU75D, LEU85C, LEU85D, LEU91C, LEU91D, LEU99C, LEU99D, LYS73C, LYS73D, LYS76C, LYS76D, LYS78C, LYS78D, LYS86C, LYS86D, LYS92C, LYS92D, LYS94C, LYS94D, SER105C, SER105D, SER77C, SER77D, THR107C, THR107D, THR67C, THR67D, THR96C, THR96D, VAL112C, VAL112D, VAL88C, VAL88D
• C-E: ASN93C, ASN93E, GLU97C, GLU97E, ILE89E
• C-F: ALA90F, ARG83F, ARG84F, ARG98C, ARG98F, ASN100C, ASN111C, ASN95F, ASP101C, GLN80F, GLU102C, GLU87F, GLU97C, ILE104C, ILE108C, ILE89F, LEU103C, LEU85F, LEU91F, LEU99C, LYS86F, LYS92F, LYS94F, SER105C, THR107C, THR96C, VAL88F
• D-E: ALA90D, ARG83D, ARG84D, ARG98D, ASN100E, ASN111E, ASN95D, ASP101E, GLN80D, GLU102E, GLU87D, GLU97E, ILE104E, ILE108E, ILE89D, LEU103E, LEU85D, LEU91D, LEU99E, LYS86D, LYS92D, LYS94D, SER105E, THR107E, THR96E, VAL88D
• D-F: ARG98D, ARG98F, ASN95D, ASN95F, GLU102D, GLU102F, LEU103D, LEU103F, LEU91D, LEU91F, LEU99D, LEU99F, LYS92F, LYS94D, LYS94F, THR96F
• E-F: ALA63E, ALA63F, ALA69E, ALA69F, ALA90E, ALA90F, ARG83E, ARG83F, ARG84E, ARG84F, ARG98E, ARG98F, ASN100E, ASN100F, ASN110E, ASN110F, ASN111E, ASN111F, ASN66E, ASN66F, ASN93E, ASN93F, ASN95E, ASN95F, ASP101E, ASP101F, ASP119E, ASP61E, ASP61F, ASP62E, ASP62F, GLN114E, GLN114F, GLN115E, GLN115F, GLN72E, GLN72F, GLN80E, GLN80F, GLU102E, GLU102F, GLU109E, GLU109F, GLU74E, GLU74F, GLU79E, GLU79F, GLU81E, GLU81F, GLU87E, GLU87F, GLU97E, GLU97F, GLY106E, GLY106F, HIS60E, ILE104E, ILE104F, ILE108F, ILE70E, ILE70F, ILE82E, ILE82F, ILE89E, ILE89F, LEU103E, LEU103F, LEU113E, LEU113F, LEU117E, LEU117F, LEU64E, LEU64F, LEU65E, LEU65F, LEU68E, LEU68F, LEU71E, LEU71F, LEU75E, LEU75F, LEU85E, LEU85F, LEU91E, LEU91F, LEU99E, LEU99F, LYS116E, LYS116F, LYS73E, LYS73F, LYS76E, LYS76F, LYS78E, LYS78F, LYS86E, LYS86F, LYS92E, LYS92F, LYS94E, SER105E, SER105F, SER118E, SER77E, SER77F, THR107E, THR107F, THR67E, THR67F, THR96E, THR96F, VAL112E, VAL112F, VAL88E, VAL88F