3LAY

alpha-helical barrel formed by the decamer of the zinc resistance- associated protein (stm4172) from salmonella enterica subsp. enterica serovar typhimurium str. lt2

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 42
  • Norm. En. per Res.: -3.63
• Hub Node: A(4)

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	-9.3693	39.6257	-130.704	-100.4476	85	1	6	6177	0	28	26
A-C	0.0	0.0	-1.1212	-1.1212	12	0	0	212	0	0	0
A-I	0.0	0.0	-0.1568	-0.1568	8	0	0	44	0	0	0
A-J	0.0	4.4633	-126.409	-121.9457	42	10	4	4741	0	6	4
B-C	-3.1183	2.4255	-140.574	-141.2668	42	2	4	4910	0	6	4
B-D	0.0	0.0	-1.7856	-1.7856	8	0	0	200	0	0	0
B-J	0.0	0.0	-3.1756	-3.1756	15	0	1	473	0	0	1
C-D	-3.0082	32.1837	-111.593	-82.4175	80	6	6	5894	0	24	27
C-E	0.0	0.0	-2.0304	-2.0304	14	0	0	293	0	0	0
D-E	-5.9671	3.7193	-139.463	-141.7109	42	2	4	4842	0	6	4
D-F	0.0	0.0	-1.5785	-1.5785	9	0	0	201	0	0	1
E-F	0.0	40.8028	-119.117	-78.3142	80	2	6	5841	0	28	28
E-G	0.0	0.0	-1.0977	-1.0977	9	0	0	171	0	0	1
F-G	-11.8181	3.7582	-139.689	-147.749	42	1	4	4804	0	6	4
F-H	0.0	0.0	-5.582	-5.582	19	0	0	474	0	0	1
G-H	-5.4181	40.4207	-121.402	-86.3994	80	3	7	5917	0	26	26
G-I	0.0	0.0	-1.8301	-1.8301	11	0	0	232	0	0	1
H-I	-12.5381	3.2612	-143.185	-152.462	42	2	4	4780	0	6	4
H-J	0.0	0.0	-11.865	-11.865	21	1	0	987	0	1	4
I-J	-10.6082	30.7922	-126.583	-106.399	82	11	6	6197	1	29	29

Interface residues

• A-B: ALA115A, ALA115B, ALA117A, ALA117B, ALA119A, ALA119B, ALA83A, ALA83B, ALA89A, ALA89B, ALA93A, ALA93B, ALA95A, ALA95B, ARG109A, ARG109B, ARG112A, ARG112B, ARG74B, ASN78A, ASN78B, ASN92A, ASN92B, ASP106A, ASP106B, ASP113A, ASP113B, ASP87A, ASP87B, GLN103A, GLN103B, GLN108A, GLN108B, GLN118A, GLN118B, GLU107A, GLU107B, GLU99A, GLU99B, GLY102A, GLY102B, GLY120A, GLY120B, ILE121A, ILE121B, ILE91A, ILE91B, LEU105B, LEU70B, LEU80A, LEU80B, LEU81A, LEU81B, LYS104A, LYS104B, LYS111A, LYS111B, LYS96A, LYS96B, MET116A, MET116B, MET98A, MET98B, PRO122A, PRO122B, PRO86A, PRO86B, SER100A, SER100B, SER84A, SER84B, SER85A, SER85B, THR82A, THR82B, THR88A, THR88B, TYR77A, TYR77B, VAL110A, VAL110B, VAL114A, VAL114B, VAL94A, VAL94B
• A-C: ALA117A, ARG67C, ASP57C, GLN68C, GLY120A, ILE121A, ILE71C, LEU44A, PRO122A, SER64C, THR61C, TYR60C
• A-I: ASP57A, GLN68A, GLY120I, ILE121I, LEU44I, SER64A, THR61A, TYR60A
• A-J: ALA65A, ALA65J, ALA79A, ALA79J, ALA83A, ALA83J, ARG67A, ARG67J, ARG74A, ARG74J, ASN78A, ASN78J, GLN68A, GLN68J, GLN69A, GLN69J, GLU76A, GLU76J, ILE71A, ILE71J, LEU70A, LEU70J, LEU80A, LEU80J, LEU81A, LEU81J, LYS73A, LYS73J, PRO86A, PRO86J, SER72A, SER72J, SER84A, SER84J, SER85A, SER85J, THR82A, THR82J, TYR75A, TYR75J, TYR77A, TYR77J
• B-C: ALA65B, ALA65C, ALA79B, ALA79C, ALA83B, ALA83C, ARG67B, ARG67C, ARG74B, ARG74C, ASN78B, ASN78C, GLN68B, GLN68C, GLN69B, GLN69C, GLU76B, GLU76C, ILE71B, ILE71C, LEU70B, LEU70C, LEU80B, LEU80C, LEU81B, LEU81C, LYS73B, LYS73C, PRO86B, PRO86C, SER72B, SER72C, SER84B, SER84C, SER85B, SER85C, THR82B, THR82C, TYR75B, TYR75C, TYR77B, TYR77C
• B-D: ALA117D, ARG67B, GLN68B, GLY120D, ILE121D, ILE71B, PRO122D, SER64B
• B-J: ALA117B, ARG67J, ASP57J, GLN48B, GLN68J, GLY120B, ILE121B, ILE71J, LEU44B, PRO122B, SER64J, THR45B, THR61J, TYR60J, TYR75J
• C-D: ALA115C, ALA115D, ALA117C, ALA117D, ALA119C, ALA119D, ALA83C, ALA83D, ALA89C, ALA89D, ALA93C, ALA93D, ALA95C, ALA95D, ARG109C, ARG109D, ARG112C, ARG112D, ASN78C, ASN78D, ASN92C, ASN92D, ASP106C, ASP106D, ASP113C, ASP113D, ASP87C, ASP87D, GLN103C, GLN103D, GLN108D, GLN118C, GLN118D, GLU107C, GLU107D, GLU99C, GLU99D, GLY102C, GLY102D, GLY120C, GLY120D, ILE121C, ILE121D, ILE91C, ILE91D, LEU80C, LEU80D, LEU81C, LEU81D, LYS104C, LYS104D, LYS111C, LYS111D, LYS96C, LYS96D, MET116C, MET116D, MET98C, MET98D, PRO122C, PRO122D, PRO86C, PRO86D, SER100C, SER84C, SER84D, SER85C, SER85D, THR82C, THR82D, THR88C, THR88D, TYR77C, TYR77D, VAL110C, VAL110D, VAL114C, VAL114D, VAL94C, VAL94D
• C-E: ALA117C, ARG67E, ASP57E, GLN48C, GLN68E, GLY120C, ILE121C, ILE71E, LEU44C, PRO122C, SER64E, THR45C, THR61E, TYR60E
• D-E: ALA65D, ALA65E, ALA79D, ALA79E, ALA83D, ALA83E, ARG67D, ARG67E, ARG74D, ARG74E, ASN78D, ASN78E, GLN68D, GLN68E, GLN69D, GLN69E, GLU76D, GLU76E, ILE71D, ILE71E, LEU70D, LEU70E, LEU80D, LEU80E, LEU81D, LEU81E, LYS73D, LYS73E, PRO86D, PRO86E, SER72D, SER72E, SER84D, SER84E, SER85D, SER85E, THR82D, THR82E, TYR75D, TYR75E, TYR77D, TYR77E
• D-F: ALA117F, ARG67D, GLN48F, GLN68D, GLY120F, ILE121F, LEU44F, SER64D, TYR60D
• E-F: ALA115E, ALA115F, ALA117E, ALA117F, ALA119E, ALA119F, ALA83E, ALA83F, ALA89E, ALA89F, ALA93E, ALA93F, ALA95E, ALA95F, ARG109E, ARG109F, ARG112E, ARG112F, ASN78E, ASN78F, ASN92E, ASN92F, ASP106E, ASP106F, ASP113E, ASP113F, ASP87E, ASP87F, GLN103E, GLN103F, GLN118E, GLN118F, GLU107E, GLU107F, GLU99E, GLU99F, GLY102E, GLY102F, GLY120E, GLY120F, ILE121E, ILE121F, ILE91E, ILE91F, LEU101E, LEU80E, LEU80F, LEU81E, LEU81F, LYS104E, LYS104F, LYS111E, LYS111F, LYS96E, LYS96F, MET116E, MET116F, MET98E, MET98F, PRO122E, PRO86E, PRO86F, SER100E, SER100F, SER84E, SER84F, SER85E, SER85F, THR82E, THR82F, THR88E, THR88F, TYR77E, TYR77F, VAL110E, VAL110F, VAL114E, VAL114F, VAL94E, VAL94F
• E-G: ALA117E, ARG67G, GLN68G, GLY120E, ILE121E, ILE71G, PRO122E, SER64G, TYR75G
• F-G: ALA65F, ALA65G, ALA79F, ALA79G, ALA83F, ALA83G, ARG67F, ARG67G, ARG74F, ARG74G, ASN78F, ASN78G, GLN68F, GLN68G, GLN69F, GLN69G, GLU76F, GLU76G, ILE71F, ILE71G, LEU70F, LEU70G, LEU80F, LEU80G, LEU81F, LEU81G, LYS73F, LYS73G, PRO86F, PRO86G, SER72F, SER72G, SER84F, SER84G, SER85F, SER85G, THR82F, THR82G, TYR75F, TYR75G, TYR77F, TYR77G
• F-H: ALA117H, ALA65F, ARG67F, ASP57F, GLN48H, GLN53F, GLN68F, GLY120H, ILE121H, ILE71F, LEU44H, MET116H, PRO122H, PRO43H, SER64F, THR45H, THR61F, TYR56F, TYR60F
• G-H: ALA115G, ALA115H, ALA117G, ALA117H, ALA119G, ALA119H, ALA83G, ALA83H, ALA89G, ALA89H, ALA93G, ALA93H, ALA95G, ALA95H, ARG109G, ARG109H, ARG112G, ARG112H, ASN78G, ASN78H, ASN92G, ASN92H, ASP106G, ASP106H, ASP113G, ASP113H, ASP87G, ASP87H, GLN103G, GLN103H, GLN118G, GLN118H, GLU107G, GLU107H, GLU99G, GLU99H, GLY102G, GLY102H, GLY120G, GLY120H, ILE121G, ILE121H, ILE91G, ILE91H, LEU105G, LEU80G, LEU80H, LEU81G, LEU81H, LYS104G, LYS104H, LYS111G, LYS111H, LYS96G, LYS96H, MET116G, MET116H, MET98G, MET98H, PRO122G, PRO122H, PRO86G, PRO86H, SER100G, SER84G, SER84H, SER85G, SER85H, THR82G, THR82H, THR88G, THR88H, TYR77G, TYR77H, VAL110G, VAL110H, VAL114G, VAL114H, VAL94G, VAL94H
• G-I: ALA117G, ALA65I, ARG67I, GLN68I, GLY120G, ILE121G, ILE71I, PRO122G, SER64I, THR46G, THR61I
• H-I: ALA65H, ALA65I, ALA79H, ALA79I, ALA83H, ALA83I, ARG67H, ARG67I, ARG74H, ARG74I, ASN78H, ASN78I, GLN68H, GLN68I, GLN69H, GLN69I, GLU76H, GLU76I, ILE71H, ILE71I, LEU70H, LEU70I, LEU80H, LEU80I, LEU81H, LEU81I, LYS73H, LYS73I, PRO86H, PRO86I, SER72H, SER72I, SER84H, SER84I, SER85H, SER85I, THR82H, THR82I, TYR75H, TYR75I, TYR77H, TYR77I
• H-J: ALA117J, ALA65H, ARG123J, ARG67H, ASP57H, GLN48J, GLN68H, GLY120J, ILE121J, ILE71H, LEU44J, PRO122J, PRO43J, SER64H, SER72H, THR45J, THR61H, TYR56H, TYR59H, TYR60H, TYR75H
• I-J: ALA115I, ALA115J, ALA117I, ALA117J, ALA119I, ALA119J, ALA83I, ALA83J, ALA89I, ALA89J, ALA93I, ALA93J, ALA95I, ALA95J, ARG109I, ARG109J, ARG112I, ARG112J, ARG123J, ARG74I, ASN78I, ASN78J, ASN92I, ASN92J, ASP106I, ASP106J, ASP113I, ASP113J, ASP87I, ASP87J, GLN103I, GLN103J, GLN118I, GLN118J, GLU107I, GLU107J, GLU99I, GLU99J, GLY102I, GLY102J, GLY120I, GLY120J, ILE121I, ILE121J, ILE91I, ILE91J, LEU105I, LEU80I, LEU80J, LEU81I, LEU81J, LYS104I, LYS104J, LYS111I, LYS111J, LYS96I, LYS96J, MET116I, MET116J, MET98I, MET98J, PRO122J, PRO86I, PRO86J, SER100I, SER100J, SER84I, SER84J, SER85I, SER85J, THR82I, THR82J, THR88I, THR88J, TYR77I, TYR77J, VAL110I, VAL110J, VAL114I, VAL114J, VAL94I, VAL94J