2QJW

crystal structure of a putative hydrolase of the alpha/beta superfamily (xcc1541) from xanthomonas campestris pv. campestris at 1.35 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -3.5529
• 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	-53.878	-16.5396	-206.705	-277.1226	78	11	5	8509	1	16	16
A-C	0.0	0.0	-0.0108	-0.0108	6	0	0	4	0	0	1
A-D	0.0	7.322	-121.132	-113.81	64	1	2	5252	0	20	20
B-C	-4.6647	1.0301	-117.103	-120.7376	63	0	2	5117	0	19	17
B-D	0.0	0.0	-0.0184	-0.0184	2	0	0	1	0	2	3
C-D	-54.5021	5.9525	-196.022	-244.5716	80	7	6	8392	0	16	17

Interface residues

• A-B: ALA126B, ALA134A, ALA134B, ALA135A, ALA135B, ALA139A, ALA139B, ALA141A, ALA141B, ALA143A, ALA143B, ALA146A, ALA146B, ALA159A, ALA159B, ALA163A, ALA163B, ALA164A, ALA164B, ALA167A, ALA167B, ALA169A, ALA169B, ARG144A, ARG144B, ARG147A, ARG147B, ARG166A, ARG166B, ASP129B, ASP136B, ASP152A, ASP152B, ASP153A, ASP153B, GLN142A, GLN142B, GLN162A, GLN162B, GLN173A, GLN173B, GLU170A, GLU170B, HIS125A, HIS125B, HIS128A, HIS128B, HIS160A, HIS160B, ILE123A, ILE123B, ILE138A, ILE138B, LEU148A, LEU148B, LEU149A, LEU149B, LEU150A, LEU150B, LEU171B, PRO133A, PRO133B, SER122A, SER122B, SER145A, SER145B, SER174B, TRP127A, TRP127B, TRP140A, TRP140B, VAL124A, VAL124B, VAL137A, VAL137B, VAL151A, VAL151B, VAL161A
• A-C: ALA118A, ALA118C, SER145A, SER145C, SER174A, SER174C
• A-D: ALA116A, ALA117A, ALA118A, ALA126D, ALA159D, ALA163D, ALA18D, ALA23D, ALA68A, ALA69A, ALA98A, ARG156D, ARG37D, ARG67A, ARG97A, ASP115A, ASP129D, ASP152D, ASP153D, ASP17D, GLN162D, GLN93A, GLU130D, GLU13D, GLU26D, GLU71A, GLY0A, GLY11D, GLY154D, GLY158D, GLY15D, GLY4A, GLY73A, HIS10D, HIS128D, HIS155D, HIS160D, LEU131D, LEU157D, LEU175A, LEU19D, LEU63A, LEU92A, LYS20D, LYS72A, PHE12D, PRO120A, PRO16D, PRO74A, PRO95A, SER14D, SER80D, SER91A, THR22D, THR41D, THR70A, THR96A, TRP127D, VAL119A, VAL161D, VAL21D, VAL75A, VAL90A, VAL94A
• B-C: ALA116C, ALA117C, ALA118C, ALA126B, ALA159B, ALA163B, ALA18B, ALA23B, ALA68C, ALA69C, ALA98C, ARG156B, ARG37B, ARG67C, ARG97C, ASP115C, ASP129B, ASP152B, ASP153B, ASP17B, GLN162B, GLN89C, GLN93C, GLU130B, GLU13B, GLU71C, GLY11B, GLY154B, GLY158B, GLY15B, GLY73C, HIS10B, HIS128B, HIS155B, HIS160B, LEU131B, LEU157B, LEU175C, LEU19B, LEU63C, LEU92C, LYS20B, LYS72C, PHE12B, PRO120C, PRO16B, PRO74C, PRO95C, SER145C, SER14B, SER80B, SER91C, THR22B, THR41B, THR70C, THR96C, TRP127B, VAL119C, VAL161B, VAL21B, VAL75C, VAL90C, VAL94C
• B-D: ASP152B, ASP152D
• C-D: ALA126C, ALA134C, ALA134D, ALA135C, ALA135D, ALA139C, ALA139D, ALA141C, ALA141D, ALA143C, ALA143D, ALA146C, ALA146D, ALA159C, ALA159D, ALA163C, ALA163D, ALA164C, ALA164D, ALA167C, ALA167D, ALA169C, ALA169D, ARG144C, ARG144D, ARG147C, ARG147D, ARG166C, ARG166D, ASP136C, ASP136D, ASP152C, ASP152D, ASP153C, ASP153D, GLN142C, GLN142D, GLN162C, GLN162D, GLN173C, GLN173D, GLU170C, GLU170D, HIS125C, HIS125D, HIS128C, HIS128D, HIS160C, HIS160D, ILE121C, ILE123C, ILE123D, ILE138C, ILE138D, LEU148C, LEU148D, LEU149C, LEU149D, LEU150C, LEU150D, LEU171D, PRO133C, PRO133D, SER122C, SER122D, SER145C, SER145D, SER165C, SER174C, SER174D, TRP127C, TRP127D, TRP140C, TRP140D, VAL124C, VAL124D, VAL137C, VAL137D, VAL151C, VAL151D