2V2G

crystal structure of the c45s mutant of the peroxiredoxin 6 of arenicola marina. monoclinic form

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 223
  • Norm. En. per Res.: -4.3107
• 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	-165.1481	-44.0533	-740.707	-949.9084	224	31	17	28880	0	60	43
A-C	-17.5638	0.0	-43.284	-60.8478	58	1	0	2006	0	12	18
A-D	-2.8415	-41.7132	-28.6454	-73.2001	28	0	0	1240	4	11	13
B-C	-11.1383	-42.4544	-30.3694	-83.9621	28	2	0	1314	4	11	13
B-D	0.0	0.0	-0.6415	-0.6415	28	0	0	177	0	2	4
C-D	-170.1955	-40.6557	-750.442	-961.2932	223	30	17	28893	0	60	43

Interface residues

• A-B: ALA107A, ALA107B, ALA129A, ALA129B, ALA147A, ALA147B, ALA167A, ALA167B, ALA172A, ALA172B, ALA175A, ALA175B, ALA205A, ALA205B, ARG118A, ARG128A, ARG128B, ARG151A, ARG151B, ARG158A, ARG158B, ARG182A, ARG182B, ARG214A, ARG214B, ARG39A, ARG39B, ARG51A, ARG51B, ASN152A, ASN152B, ASP114A, ASP114B, ASP116A, ASP116B, ASP161A, ASP161B, ASP176A, ASP176B, ASP40A, ASP40B, ASP76A, ASP76B, ASP83A, ASP83B, CYS127A, CYS127B, CYS183A, CYS183B, CYS86A, CYS86B, GLN164A, GLN164B, GLN168A, GLN178A, GLN178B, GLN54A, GLN54B, GLU117A, GLU117B, GLU155A, GLU155B, GLU48A, GLU48B, GLU79A, GLU79B, GLU7A, GLU7B, GLU82A, GLU82B, GLY111A, GLY111B, GLY150A, GLY150B, GLY188A, GLY188B, GLY209A, GLY209B, GLY211A, GLY211B, GLY2A, GLY2B, GLY50A, GLY50B, GLY6A, GLY6B, GLY89A, GLY89B, ILE132A, ILE132B, ILE143A, ILE143B, ILE156A, ILE156B, ILE160A, ILE160B, ILE3A, ILE3B, LEU110A, LEU110B, LEU139A, LEU139B, LEU141A, LEU141B, LEU144A, LEU144B, LEU163A, LEU163B, LEU165A, LEU165B, LEU213A, LEU213B, LEU49A, LEU49B, LEU55A, LEU55B, LEU5A, LEU5B, LEU87A, LEU87B, LYS138A, LYS138B, LYS140A, LYS140B, LYS169A, LYS169B, LYS170A, LYS170B, LYS204A, LYS204B, LYS210A, LYS210B, LYS85A, LYS85B, MET112A, MET112B, MET184A, MET184B, PHE131A, PHE131B, PHE153A, PHE153B, PHE41A, PHE41B, PRO115A, PRO115B, PRO146A, PRO146B, PRO174A, PRO174B, PRO187A, PRO187B, PRO207A, PRO207B, PRO38A, PRO38B, PRO43A, PRO43B, SER142A, SER142B, SER154A, SER154B, SER162A, SER162B, SER208A, SER208B, SER45A, SER45B, SER81A, SER81B, SER88A, SER88B, THR126A, THR126B, THR148A, THR148B, THR149A, THR149B, THR166A, THR166B, THR173A, THR173B, THR42A, THR42B, THR46A, THR46B, THR47A, THR47B, THR4A, THR4B, TRP177A, TRP177B, TRP31A, TRP31B, TRP80A, TRP80B, TYR145A, TYR145B, TYR212A, TYR212B, TYR215A, TYR215B, VAL108A, VAL108B, VAL113A, VAL113B, VAL130A, VAL130B, VAL159A, VAL159B, VAL171A, VAL171B, VAL185A, VAL185B, VAL186A, VAL186B, VAL206A, VAL206B, VAL44A, VAL44B, VAL52A, VAL52B, VAL84A, VAL84B
• A-C: ARG182A, ARG182C, ARG51A, ARG51C, ARG62A, ASN200A, ASN200C, ASP181A, ASP181C, ASP58A, ASP58C, CYS86A, CYS86C, GLN178A, GLN178C, GLN218A, GLN218C, GLN54A, GLN54C, GLY180A, GLY180C, GLY50A, GLY50C, GLY57A, GLY57C, GLY89A, GLY89C, LEU157A, LEU157C, LEU55A, LEU55C, LEU87A, LEU87C, LYS220A, LYS220C, LYS61A, LYS61C, LYS85A, LYS85C, LYS91A, PHE198A, PHE198C, PRO179A, PRO179C, PRO199A, PRO199C, PRO217A, PRO217C, SER154A, SER154C, SER88A, SER88C, THR216A, THR216C, VAL84A, VAL84C, VAL90A, VAL90C
• A-D: ALA175D, ALA205A, ARG182A, ARG182D, ASN200A, ASN200D, ASP176D, ASP181A, ASP181D, GLN178D, GLN218D, GLU202A, GLU202D, GLY180D, LEU213D, LYS204A, LYS204D, MET201A, PRO174D, PRO179D, PRO199A, PRO217A, PRO217D, THR216A, TRP177D, TYR215A, TYR215D, VAL203A
• B-C: ALA175B, ALA205C, ARG182B, ARG182C, ASN200B, ASN200C, ASP176B, ASP181B, ASP181C, GLN178B, GLN218B, GLU202B, GLU202C, GLY180B, LEU213B, LYS204B, LYS204C, MET201C, PRO174B, PRO179B, PRO199C, PRO217B, PRO217C, THR216C, TRP177B, TYR215B, TYR215C, VAL203C
• B-D: ARG51B, ARG51D, ASP181B, ASP181D, CYS86B, CYS86D, GLN178B, GLN178D, GLN54B, GLN54D, GLY180B, GLY180D, GLY89B, GLY89D, LEU87B, LEU87D, LYS220D, LYS61B, LYS61D, LYS91B, PRO179B, PRO179D, SER154B, SER154D, SER88B, SER88D, VAL90B, VAL90D
• C-D: ALA107C, ALA107D, ALA129C, ALA129D, ALA147C, ALA147D, ALA167C, ALA167D, ALA172C, ALA172D, ALA175C, ALA175D, ALA205C, ALA205D, ARG118C, ARG128C, ARG128D, ARG151C, ARG151D, ARG158C, ARG158D, ARG182C, ARG182D, ARG214C, ARG214D, ARG39C, ARG39D, ARG51C, ARG51D, ASN152C, ASN152D, ASP114C, ASP114D, ASP116C, ASP116D, ASP161C, ASP161D, ASP176C, ASP176D, ASP40C, ASP40D, ASP76C, ASP76D, ASP83C, ASP83D, CYS127C, CYS127D, CYS183C, CYS183D, CYS86C, CYS86D, GLN164C, GLN164D, GLN168C, GLN168D, GLN178C, GLN178D, GLN54C, GLN54D, GLU117C, GLU117D, GLU155C, GLU155D, GLU48C, GLU48D, GLU79C, GLU79D, GLU7C, GLU7D, GLU82C, GLU82D, GLY111C, GLY111D, GLY150C, GLY150D, GLY188C, GLY188D, GLY209C, GLY209D, GLY211C, GLY211D, GLY2C, GLY2D, GLY50C, GLY50D, GLY6C, GLY6D, GLY89C, ILE132C, ILE132D, ILE143C, ILE143D, ILE156C, ILE156D, ILE160C, ILE160D, ILE3C, ILE3D, LEU110C, LEU110D, LEU139C, LEU139D, LEU141C, LEU141D, LEU144C, LEU144D, LEU163C, LEU163D, LEU165C, LEU165D, LEU213C, LEU213D, LEU49C, LEU49D, LEU55C, LEU55D, LEU5C, LEU5D, LEU87C, LEU87D, LYS138C, LYS138D, LYS140C, LYS140D, LYS169C, LYS169D, LYS170C, LYS170D, LYS204C, LYS204D, LYS210C, LYS210D, LYS85C, LYS85D, MET112C, MET112D, MET184C, MET184D, PHE131C, PHE131D, PHE153C, PHE153D, PHE41C, PHE41D, PRO115C, PRO115D, PRO146C, PRO146D, PRO174C, PRO174D, PRO187C, PRO187D, PRO207C, PRO207D, PRO38C, PRO38D, PRO43C, PRO43D, SER142C, SER142D, SER154C, SER154D, SER162C, SER162D, SER208C, SER208D, SER45C, SER45D, SER81C, SER81D, SER88C, THR126C, THR126D, THR148C, THR148D, THR149C, THR149D, THR166C, THR166D, THR173C, THR173D, THR42C, THR42D, THR46C, THR46D, THR47C, THR47D, THR4C, THR4D, TRP177C, TRP177D, TRP31C, TRP31D, TRP80C, TRP80D, TYR145C, TYR145D, TYR212C, TYR212D, TYR215C, TYR215D, VAL108C, VAL108D, VAL113C, VAL113D, VAL130C, VAL130D, VAL159C, VAL159D, VAL171C, VAL171D, VAL185C, VAL185D, VAL186C, VAL186D, VAL206C, VAL206D, VAL44C, VAL44D, VAL52C, VAL52D, VAL84C, VAL84D