2XX6

structure of the bacillus subtilis prophage dutpase, yoss

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -4.9943
• 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	-136.9897	-17.373	-419.978	-574.3407	115	19	9	16335	4	37	40
A-C	-83.3729	-20.6349	-370.284	-474.2918	114	14	9	15074	3	37	43
A-D	-3.3419	2.7107	-26.4319	-27.0631	38	0	0	1647	4	26	16
B-C	-80.7032	-20.5436	-379.228	-480.4748	112	14	11	14668	4	34	39
B-D	0.0	0.8162	-17.6274	-16.8112	23	0	0	1113	0	22	21

Interface residues

• A-B: ALA119B, ALA47A, ALA56B, ALA94B, ALA96B, ARG112A, ARG112B, ARG127B, ARG14A, ARG61A, ARG98A, ASN16A, ASN74A, ASN74B, ASN87A, ASP121B, ASP126B, ASP22A, ASP25A, ASP37A, ASP37B, ASP80B, ASP86A, ASP88A, ASP9A, GLN110A, GLN12A, 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, LYS40B, LYS4A, LYS66A, LYS6A, LYS84A, MET114A, MET114B, MET117B, MET18A, MET1A, MET48A, MET76A, MET76B, PHE111A, PHE39B, PHE89A, PHE92A, PRO118B, PRO51A, PRO60A, PRO60B, PRO93B, SER62A, SER63A, SER75A, SER75B, SER82B, THR64A, THR73A, THR73B, TRP23A, 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, ASN74A, ASN74C, ASN87C, ASP121A, ASP126A, ASP22C, ASP25C, ASP37A, ASP37C, ASP80A, ASP86C, ASP88C, ASP9C, GLN110C, GLN20C, GLN2C, GLN72A, GLN72C, GLU10C, GLU124A, GLU19C, 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, LYS36C, LYS40A, LYS4C, LYS66C, LYS6C, LYS84C, MET114A, MET114C, MET117A, MET18C, 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
• A-D: ALA29D, ARG107A, ARG14A, ARG14D, ARG27A, ARG61A, ASN87D, ASP106A, ASP22A, ASP25A, ASP31D, ASP86D, ASP9D, GLN110A, GLN12D, GLN20A, GLU10D, GLU19A, GLU30D, GLY105A, GLY21A, ILE15A, ILE24A, LEU8D, LYS104D, LYS17A, LYS40D, LYS6D, MET18A, PHE89D, PHE91D, PRO43D, SER62A, SER63A, THR11D, THR13A, TRP23A, TYR7D
• 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, GLN12B, GLN2B, GLN72B, GLN72C, GLU10B, GLU124C, 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, LEU97B, LEU97C, LYS115B, LYS115C, LYS116C, LYS36B, LYS40C, LYS4B, LYS66B, LYS6B, LYS84B, MET114B, MET114C, MET117C, MET1B, MET48B, MET76B, MET76C, PHE111B, PHE39C, PHE89B, PHE91C, PHE92B, PHE92C, PRO118C, PRO51B, PRO60B, PRO93C, SER62B, SER63B, SER75B, SER75C, SER82C, THR64B, THR73B, THR73C, TRP23B, TRP90B, TYR54B, TYR54C, TYR65B, TYR7B, TYR83B, TYR95B, TYR95C, VAL120C, VAL125C, VAL46B, VAL58B, VAL58C, VAL59B, VAL59C, VAL70B, VAL78C
• B-D: ARG14D, ARG27D, ASP31D, ASP80B, ASP88B, ASP9D, GLN12D, GLU10D, GLU52B, GLU55B, GLU81B, GLY105D, GLY85B, ILE79B, LYS103D, LYS104D, LYS116B, LYS84B, SER82B, THR11D, THR13D, TYR83B, VAL78B