3ZQM

crystal structure of the small terminase oligomerization core domain from a spp1-like bacteriophage (crystal form 1)

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-J
  • Int. Res.: 106
  • Norm. En. per Res.: -4.4594
• 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	-70.6521	-33.9109	-247.82	-352.383	99	18	11	11132	4	48	48
A-C	0.0	0.0	-0.0035	-0.0035	2	0	0	6	0	2	2
A-J	-109.0163	-75.6521	-288.026	-472.6944	106	11	11	12243	6	50	52
B-C	-81.9897	-28.6413	-255.956	-366.587	99	10	11	11366	3	46	48
C-D	-84.8228	-33.2171	-250.335	-368.3749	96	14	11	11265	4	48	48
C-E	0.0	0.0	-0.0019	-0.0019	2	0	0	2	0	2	2
D-E	-81.3196	-53.4062	-259.03	-393.7558	101	14	11	11482	5	49	49
E-F	-74.9577	-51.6536	-252.208	-378.8193	99	15	11	10992	5	49	49
F-G	-79.5382	-24.2559	-253.486	-357.2801	101	10	12	11351	4	48	50
G-H	-79.9565	-40.8308	-249.965	-370.7523	96	12	11	10823	4	45	45
G-I	0.0	0.0	-0.0021	-0.0021	4	0	0	6	0	2	2
H-I	-69.826	-38.3402	-277.462	-385.6282	103	15	11	11899	4	49	53
H-J	0.0	0.0	-0.0025	-0.0025	2	0	0	2	0	2	2
I-J	-81.9529	-37.002	-250.136	-369.0909	98	11	11	10958	3	47	48

Interface residues

• A-B: ALA107A, ALA113A, ALA113B, ALA120A, ALA120B, ALA70A, ALA70B, ALA81A, ALA81B, ALA97A, ALA97B, ARG110A, ARG110B, ARG79A, ARG79B, ASN71A, ASN71B, ASP109A, ASP109B, GLN69B, GLN84A, GLN88A, GLN88B, GLU104A, GLU104B, GLU115A, GLU115B, GLU72A, GLU72B, GLU75A, GLU75B, GLU85A, GLU85B, GLU87A, GLU87B, GLU98A, GLU98B, GLY118A, GLY83A, GLY92A, GLY92B, GLY94A, GLY94B, GLY96A, GLY96B, HIS102A, HIS102B, HIS76A, HIS76B, ILE111A, ILE111B, ILE67B, ILE80A, ILE80B, ILE93A, ILE93B, LEU114A, LEU114B, LEU116A, LEU116B, LEU117A, LEU68B, LEU74A, LEU74B, LEU77A, LEU77B, LEU82A, LEU90A, LEU90B, LYS100A, LYS100B, LYS108A, LYS108B, LYS112A, LYS112B, LYS119A, LYS119B, LYS65B, LYS66B, LYS86A, LYS86B, LYS95A, LYS95B, SER106A, SER106B, THR101A, THR101B, THR78A, THR78B, THR99A, THR99B, VAL103A, VAL103B, VAL105A, VAL105B, VAL73A, VAL73B, VAL89A, VAL89B
• A-C: LEU82A, LYS65C
• A-J: ALA107J, ALA113A, ALA113J, ALA120A, ALA120J, ALA70A, ALA70J, ALA81A, ALA81J, ALA97A, ALA97J, ARG110A, ARG110J, ARG79A, ARG79J, ASN63A, ASN71A, ASN71J, ASP109A, ASP109J, GLN69A, GLN69J, GLN84A, GLN84J, GLN88A, GLN88J, GLU104A, GLU104J, GLU115A, GLU115J, GLU64A, GLU72A, GLU72J, GLU75A, GLU75J, GLU85A, GLU85J, GLU87A, GLU87J, GLU98A, GLU98J, GLY118J, GLY83J, GLY92A, GLY92J, GLY94A, GLY94J, GLY96A, GLY96J, HIS102A, HIS102J, HIS76A, HIS76J, ILE111A, ILE111J, ILE62A, ILE67A, ILE80A, ILE80J, ILE93A, ILE93J, LEU114A, LEU114J, LEU116A, LEU116J, LEU117J, LEU68A, LEU68J, LEU74A, LEU74J, LEU77A, LEU77J, LEU82J, LEU90A, LEU90J, LYS100A, LYS100J, LYS108A, LYS108J, LYS112A, LYS112J, LYS119A, LYS119J, LYS65A, LYS66A, LYS66J, LYS86A, LYS86J, LYS95A, LYS95J, SER106A, SER106J, THR101A, THR101J, THR78A, THR78J, THR99A, THR99J, VAL103A, VAL103J, VAL105A, VAL105J, VAL73A, VAL73J, VAL89A, VAL89J
• B-C: ALA107B, ALA113B, ALA113C, ALA120B, ALA120C, ALA70B, ALA70C, ALA81B, ALA81C, ALA97B, ALA97C, ARG110B, ARG110C, ARG79B, ARG79C, ASN71B, ASN71C, ASP109B, ASP109C, GLN69C, GLN84B, GLN88B, GLN88C, GLU104B, GLU104C, GLU115B, GLU115C, GLU72B, GLU72C, GLU75B, GLU75C, GLU85C, GLU87B, GLU87C, GLU98B, GLU98C, GLY118B, GLY83B, GLY92B, GLY92C, GLY94B, GLY94C, GLY96B, GLY96C, HIS102B, HIS102C, HIS76B, HIS76C, ILE111B, ILE111C, ILE67C, ILE80B, ILE80C, ILE93B, ILE93C, LEU114B, LEU114C, LEU116B, LEU116C, LEU117B, LEU68C, LEU74B, LEU74C, LEU77B, LEU77C, LEU82B, LEU90B, LEU90C, LYS100B, LYS100C, LYS108B, LYS108C, LYS112B, LYS112C, LYS119B, LYS119C, LYS65C, LYS66B, LYS66C, LYS86B, LYS86C, LYS95B, LYS95C, SER106B, SER106C, THR101B, THR101C, THR78B, THR78C, THR99B, THR99C, VAL103B, VAL103C, VAL105B, VAL105C, VAL73B, VAL73C, VAL89B, VAL89C
• C-D: ALA107C, ALA113C, ALA113D, ALA120C, ALA70C, ALA70D, ALA81C, ALA81D, ALA97C, ALA97D, ARG110C, ARG110D, ARG79C, ARG79D, ASN71C, ASN71D, ASP109C, ASP109D, GLN69D, GLN84C, GLN88D, GLU104C, GLU104D, GLU115C, GLU115D, GLU72C, GLU72D, GLU75C, GLU75D, GLU85D, GLU87C, GLU87D, GLU98C, GLU98D, GLY118C, GLY83C, GLY92C, GLY92D, GLY94C, GLY94D, GLY96C, GLY96D, HIS102C, HIS102D, HIS76C, HIS76D, ILE111C, ILE111D, ILE67D, ILE80C, ILE80D, ILE93C, ILE93D, LEU114C, LEU114D, LEU116C, LEU116D, LEU117C, LEU68D, LEU74C, LEU74D, LEU77C, LEU77D, LEU82C, LEU90C, LEU90D, LYS100C, LYS100D, LYS108C, LYS108D, LYS112C, LYS112D, LYS119C, LYS119D, LYS65D, LYS66D, LYS86C, LYS86D, LYS95C, LYS95D, SER106C, SER106D, THR101C, THR101D, THR78C, THR78D, THR99C, THR99D, VAL103C, VAL103D, VAL105C, VAL105D, VAL73C, VAL73D, VAL89C, VAL89D
• C-E: LYS95C, LYS95E
• D-E: ALA107D, ALA113D, ALA113E, ALA120D, ALA120E, ALA70D, ALA70E, ALA81D, ALA81E, ALA97D, ALA97E, ARG110D, ARG110E, ARG79D, ARG79E, ASN71D, ASN71E, ASP109D, ASP109E, GLN69D, GLN69E, GLN84D, GLN88E, GLU104D, GLU104E, GLU115D, GLU115E, GLU64E, GLU72D, GLU72E, GLU75D, GLU75E, GLU85E, GLU87D, GLU87E, GLU98D, GLU98E, GLY118D, GLY83D, GLY92D, GLY92E, GLY94D, GLY94E, GLY96D, GLY96E, HIS102D, HIS102E, HIS76D, HIS76E, ILE111D, ILE111E, ILE67E, ILE80D, ILE80E, ILE93D, ILE93E, LEU114D, LEU114E, LEU116D, LEU116E, LEU117D, LEU68D, LEU68E, LEU74D, LEU74E, LEU77D, LEU77E, LEU82D, LEU90D, LEU90E, LYS100D, LYS100E, LYS108D, LYS108E, LYS112D, LYS112E, LYS119D, LYS119E, LYS65E, LYS66D, LYS66E, LYS86D, LYS86E, LYS95D, LYS95E, SER106D, SER106E, THR101D, THR101E, THR78D, THR78E, THR99D, THR99E, VAL103D, VAL103E, VAL105D, VAL105E, VAL73D, VAL73E, VAL89D, VAL89E
• E-F: ALA107E, ALA113E, ALA113F, ALA120E, ALA120F, ALA70E, ALA70F, ALA81E, ALA81F, ALA97E, ALA97F, ARG110E, ARG110F, ARG79E, ARG79F, ASN71E, ASN71F, ASP109E, ASP109F, GLN69F, GLN84E, GLN84F, GLN88F, GLU104E, GLU104F, GLU115E, GLU115F, GLU72E, GLU72F, GLU75E, GLU75F, GLU85F, GLU87E, GLU87F, GLU98E, GLU98F, GLY118E, GLY83E, GLY92E, GLY92F, GLY94E, GLY94F, GLY96E, GLY96F, HIS102E, HIS102F, HIS76E, HIS76F, ILE111E, ILE111F, ILE67F, ILE80E, ILE80F, ILE93E, ILE93F, LEU114E, LEU114F, LEU116E, LEU116F, LEU117E, LEU68F, LEU74E, LEU74F, LEU77E, LEU77F, LEU82E, LEU90E, LEU90F, LYS100E, LYS100F, LYS108E, LYS108F, LYS112E, LYS112F, LYS119E, LYS119F, LYS65F, LYS66E, LYS66F, LYS86E, LYS86F, LYS95E, LYS95F, SER106E, SER106F, THR101E, THR101F, THR78E, THR78F, THR99E, THR99F, VAL103E, VAL103F, VAL105E, VAL105F, VAL73E, VAL73F, VAL89E, VAL89F
• F-G: ALA107F, ALA113F, ALA113G, ALA120F, ALA120G, ALA70F, ALA70G, ALA81F, ALA81G, ALA97F, ALA97G, ARG110F, ARG110G, ARG79F, ARG79G, ASN63G, ASN71F, ASN71G, ASP109F, ASP109G, GLN69G, GLN84F, GLN88F, GLN88G, GLU104F, GLU104G, GLU115F, GLU115G, GLU64G, GLU72F, GLU72G, GLU75F, GLU75G, GLU85G, GLU87F, GLU87G, GLU98F, GLU98G, GLY118F, GLY83F, GLY92F, GLY92G, GLY94F, GLY94G, GLY96F, GLY96G, HIS102F, HIS102G, HIS76F, HIS76G, ILE111F, ILE111G, ILE62G, ILE67G, ILE80F, ILE80G, ILE93F, ILE93G, LEU114F, LEU114G, LEU116F, LEU116G, LEU117F, LEU68G, LEU74F, LEU74G, LEU77F, LEU77G, LEU82F, LEU90F, LEU90G, LYS100F, LYS100G, LYS108F, LYS108G, LYS112F, LYS112G, LYS119F, LYS119G, LYS65G, LYS66G, LYS86F, LYS86G, LYS95F, LYS95G, SER106F, SER106G, THR101F, THR101G, THR78F, THR78G, THR99F, THR99G, VAL103F, VAL103G, VAL105F, VAL105G, VAL73F, VAL73G, VAL89F, VAL89G
• G-H: ALA107G, ALA113G, ALA113H, ALA120G, ALA70G, ALA70H, ALA81G, ALA81H, ALA97G, ALA97H, ARG110G, ARG110H, ARG79G, ARG79H, ASN71G, ASN71H, ASP109G, ASP109H, GLN69H, GLN84G, GLN88G, GLN88H, GLU104G, GLU104H, GLU115G, GLU115H, GLU72G, GLU72H, GLU75G, GLU75H, GLU85H, GLU87G, GLU87H, GLU98G, GLU98H, GLY118G, GLY83G, GLY92G, GLY92H, GLY94G, GLY94H, GLY96G, GLY96H, HIS102G, HIS102H, HIS76G, HIS76H, ILE111G, ILE111H, ILE67H, ILE80G, ILE80H, ILE93G, ILE93H, LEU114G, LEU114H, LEU116G, LEU116H, LEU117G, LEU68H, LEU74G, LEU74H, LEU77G, LEU77H, LEU82G, LEU90G, LEU90H, LYS100G, LYS100H, LYS108G, LYS108H, LYS112G, LYS112H, LYS119G, LYS119H, LYS66H, LYS86G, LYS86H, LYS95G, LYS95H, SER106G, SER106H, THR101G, THR101H, THR78G, THR78H, THR99G, THR99H, VAL103G, VAL103H, VAL105G, VAL105H, VAL73G, VAL73H, VAL89G, VAL89H
• G-I: LEU82G, LYS65I, LYS95G, LYS95I
• H-I: ALA107H, ALA113H, ALA113I, ALA120H, ALA120I, ALA70H, ALA70I, ALA81H, ALA81I, ALA97H, ALA97I, ARG110H, ARG110I, ARG79H, ARG79I, ASN63I, ASN71H, ASN71I, ASP109H, ASP109I, GLN69I, GLN84H, GLN88H, GLN88I, GLU104H, GLU104I, GLU115H, GLU115I, GLU64I, GLU72H, GLU72I, GLU75H, GLU75I, GLU85H, GLU85I, GLU87H, GLU87I, GLU98H, GLU98I, GLY118H, GLY83H, GLY92H, GLY92I, GLY94H, GLY94I, GLY96H, GLY96I, HIS102H, HIS102I, HIS76H, HIS76I, ILE111H, ILE111I, ILE67I, ILE80H, ILE80I, ILE93H, ILE93I, LEU114H, LEU114I, LEU116H, LEU116I, LEU117H, LEU117I, LEU68H, LEU68I, LEU74H, LEU74I, LEU77H, LEU77I, LEU82H, LEU90H, LEU90I, LYS100H, LYS100I, LYS108H, LYS108I, LYS112H, LYS112I, LYS119H, LYS119I, LYS65I, LYS66I, LYS86H, LYS86I, LYS95H, LYS95I, SER106H, SER106I, THR101H, THR101I, THR78H, THR78I, THR99H, THR99I, VAL103H, VAL103I, VAL105H, VAL105I, VAL73H, VAL73I, VAL89H, VAL89I
• H-J: LYS95H, LYS95J
• I-J: ALA107I, ALA113I, ALA113J, ALA120I, ALA70I, ALA70J, ALA81I, ALA81J, ALA97I, ALA97J, ARG110I, ARG110J, ARG79I, ARG79J, ASN71I, ASN71J, ASP109I, ASP109J, GLN69J, GLN84I, GLN88I, GLN88J, GLU104I, GLU104J, GLU115I, GLU115J, GLU72I, GLU72J, GLU75I, GLU75J, GLU85J, GLU87I, GLU87J, GLU98I, GLU98J, GLY118I, GLY83I, GLY92I, GLY92J, GLY94I, GLY94J, GLY96I, GLY96J, HIS102I, HIS102J, HIS76I, HIS76J, ILE111I, ILE111J, ILE67J, ILE80I, ILE80J, ILE93I, ILE93J, LEU114I, LEU114J, LEU116I, LEU116J, LEU117I, LEU68J, LEU74I, LEU74J, LEU77I, LEU77J, LEU82I, LEU90I, LEU90J, LYS100I, LYS100J, LYS108I, LYS108J, LYS112I, LYS112J, LYS119I, LYS119J, LYS65J, LYS66I, LYS66J, LYS86I, LYS86J, LYS95I, LYS95J, SER106I, SER106J, THR101I, THR101J, THR78I, THR78J, THR99I, THR99J, VAL103I, VAL103J, VAL105I, VAL105J, VAL73I, VAL73J, VAL89I, VAL89J