3HG0

crystal structure of a darpin in complex with orf49 from lactococcal phage tp901-1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 137
  • Norm. En. per Res.: -6.3128
• 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	-277.0305	-42.4852	-632.818	-952.3337	157	39	13	22776	6	36	52
A-C	-248.3044	-53.6668	-562.885	-864.8562	137	40	11	20149	4	23	30
A-D	-26.2643	0.0	-121.981	-148.2453	53	5	4	5244	0	1	1
B-C	-235.0258	-32.4139	-570.849	-838.2887	137	44	11	20754	3	24	31
B-D	-6.7555	0.0	-26.366	-33.1215	26	0	0	977	0	1	1
C-D	0.0	0.0	-9.3498	-9.3498	9	0	0	263	0	0	0

Interface residues

• A-B: ALA100A, ALA131A, ALA131B, ALA149A, ALA45A, ALA45B, ARG116A, ARG118A, ARG155B, ARG80B, ASN101A, ASN117A, ASN130A, ASN130B, ASN34A, ASN53A, ASN53B, ASN57A, ASN57B, ASP135A, ASP163A, ASP41A, ASP41B, CYS119A, GLN143A, GLU42A, GLU42B, GLU55A, GLU55B, GLU70B, GLU87B, GLY123A, GLY123B, GLY127B, GLY128B, GLY146A, GLY152A, GLY156B, GLY158A, GLY158B, GLY33A, GLY40A, GLY40B, GLY46A, GLY46B, GLY52A, GLY52B, GLY58A, GLY58B, GLY69B, GLY83A, GLY91B, GLY92B, HIS124A, HIS124B, HIS133A, HIS133B, HIS164A, HIS165A, HIS166A, HIS167A, HIS168A, HIS169A, HIS37A, HIS37B, ILE134A, ILE136A, ILE162A, ILE44A, ILE44B, ILE75A, ILE76B, ILE90B, ILE94A, ILE98A, LEU121A, LEU121B, LEU60A, LEU60B, LEU62A, LEU62B, LEU77B, LEU79B, LYS38A, LYS38B, LYS47A, LYS47B, LYS48A, LYS48B, LYS65B, LYS81B, LYS82A, LYS82B, MET125A, MET125B, PHE113B, PHE132A, PHE132B, PHE145A, PHE50A, PHE50B, PRO115A, PRO147A, PRO154A, PRO154B, PRO161A, PRO63A, PRO63B, SER102A, SER120A, SER150A, SER151A, SER59A, SER59B, SER66B, SER68B, SER78B, SER89B, THR148A, THR153B, THR157B, THR159A, THR159B, THR39A, THR39B, THR43A, THR43B, THR49A, THR49B, THR51A, THR51B, THR61A, THR61B, THR64B, THR84A, THR85A, THR85B, TRP129A, TRP129B, TRP144A, TRP67B, TYR160A, TYR88A, TYR88B, VAL122A, VAL122B, VAL126B, VAL35A, VAL35B, VAL36A, VAL36B, VAL54A, VAL54B, VAL56A, VAL56B, VAL86A, VAL86B
• A-C: ALA100C, ALA131A, ALA131C, ALA149C, ALA45A, ALA45C, ARG116C, ARG118C, ARG155A, ARG80A, ASN101C, ASN117C, ASN130A, ASN130C, ASN34C, ASN53A, ASN53C, ASN57A, ASN57C, ASP135C, ASP163C, ASP41A, ASP41C, CYS119C, GLN143C, GLU42A, GLU42C, GLU55A, GLU55C, GLU87A, GLY123A, GLY123C, GLY127A, GLY128A, GLY146C, GLY152C, GLY156A, GLY158A, GLY158C, GLY32C, GLY33A, GLY33C, GLY40A, GLY46A, GLY46C, GLY52A, GLY52C, GLY58A, GLY58C, GLY83C, GLY91A, HIS124A, HIS124C, HIS133C, HIS37A, HIS37C, ILE134C, ILE136C, ILE162C, ILE44A, ILE44C, ILE75C, ILE90A, ILE94C, ILE98C, LEU121A, LEU121C, LEU60A, LEU60C, LEU62A, LEU62C, LYS38A, LYS38C, LYS47A, LYS47C, LYS48A, LYS48C, LYS81C, LYS82A, MET125A, MET125C, PHE132A, PHE132C, PHE145C, PHE50A, PHE50C, PRO115C, PRO147C, PRO154A, PRO154C, PRO161C, PRO63A, PRO63C, SER120C, SER150C, SER151C, SER59A, SER59C, SER66A, SER89A, THR148C, THR153A, THR157A, THR159A, THR159C, THR39A, THR39C, THR43A, THR43C, THR49A, THR49C, THR51A, THR51C, THR61A, THR61C, THR64C, THR84C, THR85A, THR85C, TRP129A, TRP129C, TRP144C, TYR160C, TYR88A, TYR88C, VAL122A, VAL122C, VAL126A, VAL35A, VAL35C, VAL36A, VAL36C, VAL54A, VAL54C, VAL56A, VAL56C, VAL86A
• A-D: ALA100A, ALA149A, ALA22D, ALA24D, ALA54D, ALA78D, ARG23D, ASN101A, ASN130A, ASN57D, ASP110D, ASP44D, ASP77D, GLU20D, GLU81D, GLU93A, GLY146A, GLY152A, GLY47D, GLY73A, GLY74A, GLY80D, GLY91D, HIS52D, HIS59D, HIS85D, HIS92D, ILE119D, ILE79D, ILE94A, ILE98A, LEU19D, LEU48D, LEU53D, LEU86D, LEU99A, LYS111D, LYS45D, MET125A, MET56D, MET89D, PHE112D, PRO147A, SER102A, SER150A, SER151A, SER95A, SER96A, SER97A, THR148A, TRP144A, TYR90D, VAL46D
• B-C: ALA100B, ALA131B, ALA131C, ALA149B, ALA45B, ALA45C, ARG116B, ARG118B, ARG155C, ARG80C, ASN101B, ASN117B, ASN130B, ASN130C, ASN34B, ASN53B, ASN53C, ASN57B, ASN57C, ASP135B, ASP163B, ASP41B, ASP41C, CYS119B, GLU42B, GLU42C, GLU55B, GLU55C, GLU87C, GLY123B, GLY123C, GLY127C, GLY128C, GLY146B, GLY152B, GLY156C, GLY158B, GLY158C, GLY32C, GLY40B, GLY40C, GLY46B, GLY46C, GLY52B, GLY52C, GLY58B, GLY58C, GLY83B, GLY91C, HIS124B, HIS124C, HIS133B, HIS133C, HIS37B, HIS37C, ILE134B, ILE136B, ILE162B, ILE44B, ILE44C, ILE90C, ILE94B, ILE98B, LEU121B, LEU121C, LEU60B, LEU60C, LEU62B, LEU62C, LYS38B, LYS38C, LYS47B, LYS47C, LYS48B, LYS48C, LYS82C, MET125B, MET125C, PHE132B, PHE132C, PHE145B, PHE50B, PHE50C, PRO115B, PRO147B, PRO154B, PRO154C, PRO161B, PRO63B, PRO63C, SER120B, SER150B, SER151B, SER59B, SER59C, SER66C, SER89C, THR148B, THR153C, THR157C, THR159B, THR159C, THR39B, THR39C, THR43B, THR43C, THR49B, THR49C, THR51B, THR51C, THR61B, THR61C, THR64B, THR64C, THR84B, THR85B, THR85C, TRP129B, TRP129C, TRP144B, TYR160B, TYR160C, TYR88B, TYR88C, VAL122B, VAL122C, VAL126C, VAL35B, VAL35C, VAL36B, VAL36C, VAL54B, VAL54C, VAL56B, VAL56C, VAL86B, VAL86C
• B-D: ALA149B, ALA88D, ASN123D, ASN130B, ASP122D, GLU81D, GLY124D, GLY127B, GLY128B, GLY152B, GLY91D, ILE119D, ILE121D, LEU86D, LYS114D, MET125B, MET56D, MET89D, PHE112D, PRO147B, SER150B, SER151B, THR148B, TRP129B, TYR90D, VAL126B
• C-D: ASN123D, ASN125D, ASN130C, ASP122D, GLY124D, GLY128C, ILE121D, SER120D, TRP129C