3JUR

the crystal structure of a hyperthermoactive exopolygalacturonase from thermotoga maritima

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 72
  • Norm. En. per Res.: -5.9556
• 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	-179.3565	-30.9298	-218.519	-428.8053	72	20	11	8254	4	17	25
A-C	-4.2015	-8.8742	-152.312	-165.3876	92	5	4	7350	2	20	20
A-D	0.0	7.5724	-2.2049	5.3675	8	0	0	246	0	4	2
B-C	0.0	0.0	-0.143	-0.143	2	0	0	41	0	2	1
B-D	-11.8782	-0.5628	-134.227	-146.668	94	8	4	7347	3	20	21
C-D	-166.5626	-21.4748	-211.901	-399.9384	71	16	10	8157	2	17	24

Interface residues

• A-B: ALA445A, ALA445B, ARG435A, ARG435B, ASN428A, ASN428B, ASN432A, ASN432B, GLN423A, GLN423B, GLU420A, GLU420B, GLU427A, GLU427B, GLU437A, GLU437B, GLU442A, GLU442B, GLY422A, GLY422B, GLY425A, GLY425B, GLY433A, GLY433B, GLY443A, GLY443B, ILE415A, ILE415B, ILE430A, ILE430B, ILE441A, ILE441B, LEU418A, LEU418B, LEU419A, LEU419B, LEU424A, LEU424B, LEU439A, LEU439B, LEU446A, LEU446B, LEU447A, LEU447B, LYS414A, LYS414B, LYS438A, LYS438B, LYS444A, LYS444B, LYS448A, LYS448B, MET426A, MET426B, MET431A, MET431B, PHE421A, PHE421B, PHE436A, PHE436B, SER416A, SER416B, SER434A, SER434B, TYR399A, TYR399B, TYR440A, TYR440B, VAL417A, VAL417B, VAL429A, VAL429B
• A-C: ALA348A, ALA348C, ALA383A, ALA383C, ALA413A, ALA413C, ARG255A, ARG255C, ARG435A, ARG435C, ASN228A, ASN288A, ASN288C, ASN316A, ASN316C, ASN317A, ASN317C, ASN321A, ASN321C, ASN346A, ASN346C, ASN350A, ASN350C, ASN380A, ASN380C, ASN432A, ASN432C, ASP287A, ASP287C, ASP345A, ASP345C, CYS254A, CYS254C, GLU230A, GLU411A, GLU411C, GLU66A, GLU66C, GLY385A, GLY385C, GLY386C, GLY412A, GLY412C, GLY433A, GLY433C, GLY67A, GLY67C, ILE229A, ILE291A, ILE291C, ILE409A, ILE409C, ILE410A, ILE410C, ILE430A, ILE430C, LEU289A, LEU289C, LEU381A, LEU381C, LYS207C, LYS253A, LYS382A, LYS382C, LYS85A, LYS85C, MET320A, MET320C, MET431A, MET431C, PRO65A, PRO65C, SER130A, SER130C, SER434A, SER434C, THR384A, THR384C, THR408A, TYR319A, TYR319C, VAL132C, VAL290A, VAL290C, VAL318A, VAL318C, VAL347A, VAL347C, VAL349A, VAL349C, VAL351A, VAL351C
• A-D: ARG435A, ARG435D, GLY433A, GLY433D, ILE430A, ILE430D, SER434A, SER434D
• B-C: ARG435B, ARG435C
• B-D: ALA348B, ALA348D, ALA383B, ALA383D, ALA413B, ALA413D, ARG255B, ARG255D, ARG435B, ARG435D, ASN228D, ASN288B, ASN288D, ASN316B, ASN316D, ASN317B, ASN317D, ASN321B, ASN321D, ASN346B, ASN346D, ASN350B, ASN350D, ASN380B, ASN380D, ASN432B, ASN432D, ASP287B, ASP287D, ASP345B, ASP345D, CYS254B, CYS254D, GLN293B, GLU230D, GLU411B, GLU411D, GLU66B, GLU66D, GLY385B, GLY385D, GLY386B, GLY412B, GLY412D, GLY433B, GLY433D, GLY67B, GLY67D, HIS83B, ILE229D, ILE291B, ILE291D, ILE409B, ILE409D, ILE410B, ILE410D, ILE430B, ILE430D, LEU289B, LEU289D, LEU381B, LEU381D, LYS207B, LYS253B, LYS253D, LYS382B, LYS382D, LYS85B, LYS85D, MET320B, MET320D, MET431B, MET431D, PRO65B, PRO65D, SER130B, SER130D, SER434B, SER434D, THR384B, THR384D, THR408D, TYR319B, TYR319D, VAL290B, VAL290D, VAL318B, VAL318D, VAL347B, VAL347D, VAL349B, VAL349D, VAL351B, VAL351D
• C-D: ALA445C, ALA445D, ARG435C, ARG435D, ASN428C, ASN428D, ASN432C, ASN432D, GLN423C, GLN423D, GLU420C, GLU420D, GLU427C, GLU427D, GLU437C, GLU437D, GLU442C, GLU442D, GLY422C, GLY422D, GLY425C, GLY425D, GLY433C, GLY433D, GLY443C, GLY443D, ILE415C, ILE415D, ILE430C, ILE430D, ILE441C, ILE441D, LEU418D, LEU419C, LEU419D, LEU424C, LEU424D, LEU439C, LEU439D, LEU446C, LEU446D, LEU447C, LEU447D, LYS414C, LYS414D, LYS438C, LYS438D, LYS444C, LYS444D, LYS448C, LYS448D, MET426C, MET426D, MET431C, MET431D, PHE421C, PHE421D, PHE436C, PHE436D, SER416C, SER416D, SER434C, SER434D, TYR399C, TYR399D, TYR440C, TYR440D, VAL417C, VAL417D, VAL429C, VAL429D