2Y1T

bacillus subtilis prophage dutpase in complex with dudp

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 113
  • Norm. En. per Res.: -4.4582
• Hub Node: B(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	-96.6697	-30.8228	-370.008	-497.5005	116	28	10	15848	4	37	37
A-C	-104.8247	-39.9444	-359.004	-503.7731	113	16	9	14809	4	34	36
B-C	-95.6237	-38.2417	-364.348	-498.2134	117	23	9	16216	5	38	42
B-D	0.0	0.0	-0.297	-0.297	9	0	0	49	0	6	6
B-F	-24.0834	-42.1491	-107.103	-173.3355	70	1	0	5580	4	48	54
C-F	0.0	0.0	-0.16	-0.16	7	0	0	52	0	11	5
D-E	-108.2845	-36.6403	-377.87	-522.7948	118	21	9	15666	4	39	42
D-F	-72.9821	-38.9131	-368.95	-480.8452	115	23	7	15159	5	40	42
E-F	-83.5694	-38.9284	-389.331	-511.8287	117	19	9	15773	5	37	38

Interface residues

• A-B: ALA119B, ALA47A, ALA56B, ALA94B, ALA96B, ARG112A, ARG112B, ARG127B, ARG14A, ARG61A, ARG98A, ASN16A, ASN74A, ASN74B, ASN87A, ASP121B, ASP126B, ASP22A, ASP37A, ASP37B, ASP80B, ASP86A, ASP88A, ASP9A, GLN110A, GLN20A, GLN2A, GLN72A, GLN72B, GLU10A, GLU124B, GLU19A, GLU38B, GLU49A, GLU55B, GLU81B, GLY21A, GLY53B, GLY69A, GLY77A, GLY77B, GLY85A, HIS57A, HIS57B, ILE113A, ILE113B, ILE123B, ILE15A, ILE24A, ILE3A, ILE5A, ILE71A, ILE71B, ILE79B, LEU122B, LEU128B, LEU26A, LEU41B, LEU50A, LEU97A, LEU97B, LYS115A, LYS115B, LYS116B, LYS17A, LYS36A, LYS36B, LYS40B, LYS4A, LYS66A, LYS6A, LYS84A, MET114A, MET114B, MET117B, MET18A, MET1A, MET48A, MET76A, MET76B, PHE111A, PHE39B, PHE89A, PHE91B, PHE92A, PRO118B, PRO51A, PRO60A, PRO60B, PRO93B, SER62A, SER63A, SER75A, SER75B, SER82B, THR64A, THR73A, THR73B, TRP23A, TRP23B, TRP90A, TYR54A, TYR54B, TYR65A, TYR7A, TYR83A, TYR95A, TYR95B, VAL120B, VAL125B, VAL46A, VAL58A, VAL59A, VAL59B, VAL70A, VAL78B
• A-C: ALA119A, ALA47C, ALA56A, ALA94A, ALA96A, ALA96C, ARG112A, ARG112C, ARG127A, ARG14C, ARG61C, ARG98C, ASN16C, ASN74A, ASN74C, ASN87C, ASP121A, ASP126A, ASP22C, ASP37A, ASP37C, ASP80A, ASP86C, ASP88C, ASP9C, GLN110C, GLN20C, GLN2C, GLN72A, GLN72C, GLU10C, GLU124A, GLU38A, GLU49C, GLU55A, GLU81A, GLY21C, GLY53A, GLY69C, GLY77A, GLY77C, GLY85C, HIS57A, HIS57C, ILE113A, ILE113C, ILE123A, ILE15C, ILE24C, ILE3C, ILE5C, ILE71A, ILE71C, ILE79A, LEU122A, LEU128A, LEU26C, LEU41A, LEU50C, LEU97A, LEU97C, LYS115A, LYS115C, LYS116A, LYS36A, LYS36C, LYS40A, LYS4C, LYS66C, LYS6C, LYS84C, MET114A, MET114C, MET117A, MET1C, MET48C, MET76A, MET76C, PHE111C, PHE39A, PHE89C, PHE91A, PHE92C, PRO118A, PRO51C, PRO60A, PRO60C, PRO93A, SER62C, SER63C, SER75A, SER75C, SER82A, THR64C, THR73A, THR73C, TRP23C, TRP90C, TYR54A, TYR54C, TYR65C, TYR7C, TYR83C, TYR95A, TYR95C, VAL120A, VAL125A, VAL46C, VAL58C, VAL59A, VAL59C, VAL70C, VAL78A
• B-C: ALA119C, ALA47B, ALA56C, ALA94C, ALA96C, ARG112B, ARG112C, ARG127C, ARG14B, ARG61B, ARG98B, ASN16B, ASN74B, ASN74C, ASN87B, ASP121C, ASP126C, ASP22B, ASP37B, ASP37C, ASP80C, ASP86B, ASP88B, ASP9B, GLN110B, GLN20B, GLN2B, GLN72B, GLN72C, GLU10B, GLU124C, GLU19B, GLU38C, GLU49B, GLU55C, GLU81C, GLY21B, GLY53C, GLY69B, GLY77B, GLY77C, GLY85B, HIS57B, HIS57C, ILE113B, ILE113C, ILE123C, ILE15B, ILE24B, ILE3B, ILE5B, ILE71B, ILE71C, ILE79C, LEU122C, LEU128C, LEU26B, LEU41C, LEU50B, LEU8B, LEU97B, LEU97C, LYS115B, LYS115C, LYS116C, LYS17B, LYS36B, LYS36C, LYS40C, LYS4B, LYS66B, LYS6B, LYS84B, MET114B, MET114C, MET117C, MET18B, MET1B, MET48B, MET76B, MET76C, PHE111B, PHE39C, PHE89B, PHE91C, PHE92B, PRO118C, PRO51B, PRO60B, PRO60C, PRO93C, SER62B, SER63B, SER75B, SER75C, SER82C, THR64B, THR73B, THR73C, TRP23B, TRP23C, TRP90B, TYR54B, TYR54C, TYR65B, TYR7B, TYR83B, TYR95B, TYR95C, VAL120C, VAL125C, VAL46B, VAL58B, VAL59B, VAL59C, VAL70B, VAL78C
• B-D: ARG98B, ASN87D, ASP88D, ASP99B, LEU41D, LYS101B, LYS35B, SER82D, TYR83D
• B-F: ALA28B, ALA28F, ALA29B, ALA29F, ARG107B, ARG107F, ARG14B, ARG14F, ARG27B, ARG27F, ARG61B, ARG61F, ARG98B, ARG98F, ASN16B, ASN16F, ASN67B, ASN67F, ASP106B, ASP106F, ASP22B, ASP25B, ASP25F, ASP31B, ASP31F, ASP99F, GLN12B, GLN12F, GLN20B, GLU10B, GLU10F, GLU30B, GLU30F, GLY105B, GLY105F, GLY69B, GLY69F, ILE102B, ILE102F, ILE108B, ILE15B, ILE15F, ILE24B, LYS101B, LYS101F, LYS103B, LYS103F, LYS104B, LYS104F, LYS17B, LYS66B, LYS66F, MET18B, PHE68B, PHE68F, SER62B, SER62F, SER63B, SER63F, THR100B, THR100F, THR11B, THR11F, THR13B, THR13F, THR64B, TRP23B, TYR65B, TYR65F, VAL32F
• C-F: ASN87C, ASP80C, ASP88C, ASP99F, LYS101F, SER82C, TYR83C
• D-E: ALA119E, ALA47D, ALA56E, ALA94E, ALA96D, ALA96E, ARG112D, ARG112E, ARG127E, ARG14D, ARG61D, ARG98D, ASN16D, ASN74D, ASN74E, ASN87D, ASP121E, ASP126E, ASP22D, ASP25D, ASP37D, ASP37E, ASP80E, ASP86D, ASP88D, ASP9D, GLN110D, GLN12D, GLN20D, GLN2D, GLN72D, GLN72E, GLU10D, GLU124E, GLU19D, GLU38E, GLU49D, GLU55E, GLU81E, GLY21D, GLY53E, GLY69D, GLY77D, GLY77E, GLY85D, HIS57D, HIS57E, ILE113D, ILE113E, ILE123E, ILE15D, ILE24D, ILE3D, ILE5D, ILE71D, ILE71E, ILE79E, LEU122E, LEU128E, LEU26D, LEU41E, LEU50D, LEU97D, LEU97E, LYS115D, LYS115E, LYS116E, LYS17D, LYS36D, LYS36E, LYS40E, LYS4D, LYS66D, LYS6D, LYS84D, MET114D, MET114E, MET117E, MET18D, MET1D, MET48D, MET76D, MET76E, PHE111D, PHE39E, PHE89D, PHE91E, PHE92D, PRO118E, PRO51D, PRO60D, PRO60E, PRO93E, SER62D, SER63D, SER75D, SER75E, SER82E, THR64D, THR73D, THR73E, TRP23D, TRP90D, TYR54D, TYR54E, TYR65D, TYR7D, TYR83D, TYR95D, TYR95E, VAL120E, VAL125E, VAL46D, VAL58D, VAL59D, VAL59E, VAL70D, VAL78E
• D-F: ALA119D, ALA47F, ALA56D, ALA94D, ALA96D, ARG112D, ARG112F, ARG127D, ARG14F, ARG61F, ARG98F, ASN16F, ASN74D, ASN74F, ASN87F, ASP121D, ASP126D, ASP22F, ASP37D, ASP37F, ASP80D, ASP86F, ASP88F, ASP9F, GLN110F, GLN12F, GLN20F, GLN2F, GLN72D, GLN72F, GLU10F, GLU124D, GLU19F, GLU38D, GLU49F, GLU55D, GLU81D, GLY21F, GLY53D, GLY69F, GLY77D, GLY77F, GLY85F, HIS57D, HIS57F, ILE113D, ILE113F, ILE123D, ILE15F, ILE24F, ILE3F, ILE5F, ILE71D, ILE71F, ILE79D, LEU122D, LEU128D, LEU26F, LEU41D, LEU50F, LEU97D, LEU97F, LYS115D, LYS115F, LYS116D, LYS17F, LYS36D, LYS36F, LYS40D, LYS4F, LYS66F, LYS6F, LYS84F, MET114D, MET114F, MET117D, MET1F, MET48F, MET76D, MET76F, PHE111F, PHE39D, PHE89F, PHE91D, PHE92F, PRO118D, PRO51F, PRO60D, PRO60F, PRO93D, SER62F, SER63F, SER75D, SER75F, SER82D, THR64F, THR73D, THR73F, TRP23F, TRP90F, TYR54D, TYR54F, TYR65F, TYR7F, TYR83F, TYR95D, TYR95F, VAL120D, VAL125D, VAL46F, VAL58F, VAL59D, VAL59F, VAL70F, VAL78D
• E-F: ALA119F, ALA47E, ALA56F, ALA94F, ALA96F, ARG112E, ARG112F, ARG127F, ARG14E, ARG61E, ARG98E, ASN16E, ASN74E, ASN74F, ASN87E, ASP121F, ASP126F, ASP22E, ASP25E, ASP37E, ASP37F, ASP80F, ASP86E, ASP88E, ASP9E, GLN110E, GLN12E, GLN20E, GLN2E, GLN72E, GLN72F, GLU10E, GLU124F, GLU38F, GLU49E, GLU52F, GLU55F, GLU81F, GLY21E, GLY53F, GLY69E, GLY77E, GLY77F, GLY85E, HIS57E, HIS57F, ILE113E, ILE113F, ILE123F, ILE15E, ILE24E, ILE3E, ILE5E, ILE71E, ILE71F, ILE79F, LEU122F, LEU128F, LEU26E, LEU41F, LEU50E, LEU97E, LEU97F, LYS115E, LYS115F, LYS116F, LYS17E, LYS36E, LYS36F, LYS40F, LYS4E, LYS66E, LYS6E, LYS84E, MET114E, MET114F, MET117F, MET18E, MET1E, MET48E, MET76E, MET76F, PHE111E, PHE39F, PHE89E, PHE91F, PHE92E, PRO118F, PRO51E, PRO60E, PRO60F, PRO93F, SER62E, SER63E, SER75E, SER75F, SER82F, THR64E, THR73E, THR73F, TRP23E, TRP90E, TYR54E, TYR54F, TYR65E, TYR7E, TYR83E, TYR95E, TYR95F, VAL120F, VAL125F, VAL46E, VAL58E, VAL59E, VAL59F, VAL70E, VAL78F