2FMM

crystal structure of emsy-hp1 complex

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-B
  • Int. Res.: 55
  • Norm. En. per Res.: -4.9464
• Hub Node: E(4)

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
E-A	-34.1954	-1.0919	-144.359	-179.6463	59	6	5	5862	0	6	8
E-B	-69.686	0.0	-202.364	-272.05	55	20	10	7775	0	0	1
E-C	-84.9774	-16.8101	-279.083	-380.8705	79	10	7	10231	1	5	6
E-D	-40.8678	-32.5545	-208.432	-281.8543	72	12	2	8504	1	31	39
A-B	-11.1851	3.1541	-188.585	-196.616	68	6	4	7243	0	13	14
A-C	-66.6834	-19.7555	-166.945	-253.3839	54	13	0	6049	6	21	18
A-D	-7.708	-9.0374	-55.9243	-72.6697	35	3	1	2205	0	8	7
B-C	0.0	-4.2052	-34.9977	-39.2029	29	0	3	2011	0	8	7
B-D	0.0	0.0	-0.0408	-0.0408	2	0	0	11	0	0	0
C-D	-17.8298	1.4412	-168.707	-185.0956	68	5	4	6641	0	13	16

Interface residues

• E-A: ALA111E, ALA116E, ALA118E, ALA120E, ALA125A, ALA144A, ARG121A, ARG167A, ARG97E, ARG98E, ASN117E, ASN121E, ASN140A, ASP127A, ASP142A, GLN109E, GLU120A, GLU143A, GLU165A, GLU166A, GLY124A, HIS171A, ILE122A, ILE123A, ILE161A, ILE94E, LEU102E, LEU132A, LEU135A, LEU146A, LEU168A, LEU99E, LYS137A, MET103E, MET136A, PHE112E, PHE134A, PHE163A, PRO101E, PRO104E, PRO108E, PRO174A, SER141A, SER172A, SER175A, SER93E, THR110E, THR113E, THR115E, THR126A, THR169A, TRP138A, TRP170A, TYR164A, TYR173A, VAL100E, VAL107E, VAL114E, VAL119E
• E-B: ALA111E, ALA116E, ALA118E, ALA120E, ALA122E, ALA123E, ALA125B, ALA144B, ARG105E, ARG111B, ARG115B, ARG167B, ASN117E, ASN121E, ASP127B, ASP142B, ASP145B, GLN109E, GLU143B, GLU165B, GLU166B, GLY112B, GLY124B, HIS171B, ILE122B, ILE123B, ILE124E, LEU106E, LEU132B, LEU135B, LEU146B, LEU168B, LYS137B, MET133B, MET136B, PHE112E, PHE134B, PHE163B, PRO108E, PRO174B, SER128B, SER129B, SER172B, THR110E, THR113E, THR115E, THR126B, THR169B, TRP170B, TYR164B, TYR173B, VAL107E, VAL114E, VAL119E, VAL147B
• E-C: ALA111E, ALA116E, ALA125C, ALA144C, ALA65E, ALA70E, ARG105E, ARG121C, ARG167C, ARG36E, ARG64E, ARG68E, ARG69E, ARG97E, ARG98E, ASN72E, ASP127C, ASP142C, ASP145C, ASP73E, GLU120C, GLU165C, GLU166C, GLU61E, GLU74E, GLU91E, GLU95E, GLY124C, GLY130C, GLY96E, HIS171C, HIS81E, ILE122C, ILE123C, ILE161C, ILE94E, LEU102E, LEU106E, LEU132C, LEU135C, LEU146C, LEU168C, LEU99E, LYS137C, MET103E, MET133C, MET136C, PHE112E, PHE134C, PHE163C, PRO101E, PRO104E, PRO108E, PRO174C, SER128C, SER129C, SER141C, SER172C, SER175C, SER89E, SER90E, SER93E, THR110E, THR113E, THR115E, THR126C, THR169C, THR60E, THR77E, TRP170C, TRP92E, TYR164C, TYR173C, VAL100E, VAL107E, VAL114E, VAL147C, VAL67E, VAL71E
• E-D: ALA111E, ALA125D, ALA144D, ALA65E, ARG105E, ARG111D, ARG115D, ARG121D, ARG167D, ARG18E, ARG21E, ARG62E, ARG64E, ARG68E, ARG69E, ARG97E, ARG98E, ASN140D, ASP127D, ASP142D, ASP145D, GLN109E, GLU131D, GLU143D, GLU165D, GLU166D, GLU24E, GLU26E, GLU61E, GLU66E, GLY124D, HIS171D, HIS63E, ILE122D, ILE123D, ILE161D, ILE58E, LEU102E, LEU106E, LEU132D, LEU135D, LEU146D, LEU168D, LEU25E, LEU99E, LYS137D, LYS17E, LYS22E, MET103E, MET133D, MET136D, PHE112E, PHE134D, PHE163D, PRO101E, PRO104E, PRO174D, SER128D, SER141D, SER172D, SER57E, SER59E, THR110E, THR126D, THR169D, THR60E, TRP138D, TRP170D, TYR164D, TYR173D, VAL100E, VAL107E
• A-B: ALA125A, ALA125B, ALA149A, ALA149B, ALA152A, ALA152B, ARG167A, ARG167B, ASN153A, ASN153B, ASP127A, ASP127B, CYS156A, CYS156B, GLN158A, GLN158B, GLU131A, GLU131B, GLU151A, GLU151B, GLU165A, GLU165B, GLU166A, GLY124A, GLY124B, GLY130B, HIS171A, HIS171B, ILE122A, ILE161A, ILE161B, LEU132A, LEU132B, LEU168A, LEU168B, LYS150A, LYS150B, LYS155A, LYS155B, MET133A, MET133B, PHE134A, PHE134B, PHE163A, PHE163B, PRO157A, PRO157B, PRO174A, SER128B, SER129B, SER162A, SER162B, SER175A, THR126A, THR126B, THR169A, THR169B, TRP170A, TRP170B, TYR164A, TYR164B, TYR173A, VAL154A, VAL154B, VAL159A, VAL159B, VAL160A, VAL160B
• A-C: ALA144A, ALA144C, ARG121A, ARG121C, ARG167A, ARG167C, ASN140A, ASN140C, ASP142A, ASP142C, GLU118C, GLU120A, GLU120C, GLU143A, GLU165A, GLU165C, GLU166A, GLU166C, GLY124A, GLY124C, HIS171A, HIS171C, ILE122A, ILE122C, ILE123A, ILE123C, LEU168A, LEU168C, LYS137A, LYS137C, LYS139A, LYS139C, PHE163A, PHE163C, PRO119C, PRO174A, PRO174C, SER141A, SER141C, SER162A, SER162C, SER172A, SER172C, SER175A, THR169A, THR169C, TRP138A, TRP138C, TRP170A, TRP170C, TYR164A, TYR164C, TYR173A, TYR173C
• A-D: ALA125A, ALA144A, ARG111A, ARG115A, ARG121A, ASP127A, ASP127D, ASP142A, ASP145A, GLU120A, GLU143A, GLY124A, HIS171D, ILE122A, ILE123A, LEU132D, LEU135A, LEU146A, LYS137A, LYS139A, MET133A, MET136A, PHE134A, PHE163A, PRO174D, SER128A, SER141A, SER172D, SER175D, THR126A, THR169D, TRP138A, TRP170D, TYR173D, VAL147A
• B-C: ALA125C, ALA144C, ARG111C, ARG115C, ARG121C, ASP127B, ASP142C, ASP145C, GLU120C, GLU143C, GLY112C, GLY124C, HIS171B, ILE123C, LEU132B, LEU135C, LEU146C, LYS137C, MET133C, MET136C, PRO174B, SER141C, SER172B, SER175B, THR126C, THR169B, TRP138C, TRP170B, TYR173B
• B-D: TRP170B, TYR173D
• C-D: ALA125C, ALA125D, ALA149C, ALA149D, ALA152C, ALA152D, ARG167C, ARG167D, ASN153C, ASN153D, ASP127C, ASP127D, CYS156C, CYS156D, GLN158C, GLN158D, GLU131C, GLU151C, GLU151D, GLU165C, GLU165D, GLU166C, GLU166D, GLY124C, GLY124D, HIS171C, HIS171D, ILE122D, ILE161C, ILE161D, LEU132C, LEU132D, LEU168C, LEU168D, LYS150C, LYS150D, LYS155C, LYS155D, MET133C, MET133D, PHE134C, PHE134D, PHE163C, PHE163D, PRO157C, PRO157D, PRO174C, SER128C, SER128D, SER129D, SER162C, SER162D, SER172C, THR126C, THR126D, THR169C, THR169D, TRP170C, TRP170D, TYR164C, TYR164D, TYR173C, VAL154C, VAL154D, VAL159C, VAL159D, VAL160C, VAL160D