2O1J

structure of the extended diarrhea-inducing domain of rotavirus enterotoxigenic protein nsp4

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 83
  • Norm. En. per Res.: -2.6268
• 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	-6.853	-12.4671	-189.836	-209.1561	81	20	10	9950	0	31	43
A-C	0.0	0.0	-3.571	-3.571	26	0	0	763	0	4	9
A-D	0.0	-7.9467	-181.599	-189.5457	84	25	12	9557	1	30	42
B-C	-13.0705	3.2006	-190.353	-200.2229	84	17	11	8827	0	26	43
B-D	0.0	41.3812	-10.9065	30.4747	32	0	0	934	0	3	6
C-D	-13.2782	-2.2659	-202.481	-218.0251	83	14	10	9638	0	27	45

Interface residues

• A-B: ARG101A, ARG107A, ARG107B, ARG108A, ARG108B, ARG119A, ARG119B, ARG129A, ARG129B, ARG137A, ARG137B, ASP100A, ASP100B, ASP114A, ASP114B, ASP132A, ASP132B, GLN109A, GLN109B, GLN123A, GLN123B, GLN98A, GLN98B, GLU105A, GLU105B, GLU111A, GLU111B, GLU120A, GLU120B, GLU122A, GLU122B, GLU125A, GLU125B, GLU96A, GLU96B, ILE113A, ILE113B, ILE121B, ILE130A, ILE130B, ILE95A, ILE95B, LEU110A, LEU110B, LEU116A, LEU116B, LEU126A, LEU126B, LEU127A, LEU127B, LEU134A, LEU134B, LYS104A, LYS104B, LYS115A, LYS115B, LYS128A, LYS128B, LYS133A, LYS133B, MET106A, MET106B, MET112A, MET112B, MET99A, MET99B, THR117A, THR117B, THR118B, THR135A, THR135B, THR97A, TYR131A, TYR131B, VAL102A, VAL102B, VAL103A, VAL103B, VAL124A, VAL124B, VAL136A
• A-C: ARG137A, GLN109A, GLN109C, GLN123A, GLN123C, GLU120A, GLU120C, ILE113A, ILE113C, ILE130A, ILE130C, LEU116A, LEU116C, LEU126A, LEU126C, LEU127A, LEU127C, LEU134A, LEU134C, MET106A, MET106C, MET99A, MET99C, TYR131A, VAL102A, VAL102C
• A-D: ARG101D, ARG107A, ARG107D, ARG108A, ARG108D, ARG119A, ARG119D, ARG129A, ARG129D, ARG137A, ARG137D, ASP100A, ASP100D, ASP114A, ASP114D, ASP132A, ASP132D, GLN109A, GLN109D, GLN123A, GLN123D, GLN98D, GLU105A, GLU105D, GLU111A, GLU111D, GLU120A, GLU120D, GLU122A, GLU122D, GLU125A, GLU125D, GLU96A, GLU96D, ILE113A, ILE113D, ILE121A, ILE121D, ILE130A, ILE130D, ILE95A, ILE95D, LEU110A, LEU110D, LEU116A, LEU116D, LEU126A, LEU126D, LEU127A, LEU127D, LEU134A, LEU134D, LYS104A, LYS104D, LYS115A, LYS115D, LYS128A, LYS128D, LYS133A, LYS133D, MET106A, MET106D, MET112A, MET112D, MET99A, MET99D, THR117A, THR117D, THR118A, THR118D, THR135A, THR135D, THR138A, THR97D, TYR131A, TYR131D, VAL102A, VAL102D, VAL103A, VAL103D, VAL124A, VAL124D, VAL136A, VAL136D
• B-C: ARG101B, ARG107C, ARG108B, ARG108C, ARG119B, ARG119C, ARG129B, ARG129C, ARG137B, ARG137C, ASP100B, ASP100C, ASP114B, ASP114C, ASP132B, ASP132C, GLN109B, GLN109C, GLN123B, GLN123C, GLN98B, GLN98C, GLU105B, GLU105C, GLU111B, GLU111C, GLU120B, GLU120C, GLU122B, GLU122C, GLU125B, GLU125C, GLU96B, GLU96C, ILE113B, ILE113C, ILE121B, ILE121C, ILE130B, ILE130C, ILE95B, ILE95C, LEU110B, LEU110C, LEU116B, LEU116C, LEU126B, LEU126C, LEU127B, LEU127C, LEU134B, LEU134C, LYS104B, LYS104C, LYS115B, LYS115C, LYS128B, LYS128C, LYS133B, MET106B, MET106C, MET112B, MET112C, MET99B, MET99C, THR117B, THR117C, THR118B, THR118C, THR135B, THR135C, THR138C, THR97B, THR97C, TYR131B, TYR131C, VAL102B, VAL102C, VAL103B, VAL103C, VAL124B, VAL124C, VAL136B, VAL136C
• B-D: GLN109B, GLN109D, GLN123B, GLN123D, GLU105D, GLU120B, GLU120D, ILE113B, ILE113D, ILE130B, ILE130D, ILE95B, ILE95D, LEU110B, LEU110D, LEU116B, LEU116D, LEU126B, LEU126D, LEU127B, LEU127D, LEU134B, LEU134D, MET106B, MET106D, MET99B, MET99D, THR117B, VAL102B, VAL102D, VAL124B, VAL124D
• C-D: ARG101C, ARG101D, ARG107C, ARG107D, ARG108C, ARG108D, ARG119C, ARG119D, ARG129C, ARG129D, ARG137C, ARG137D, ASP100C, ASP100D, ASP114C, ASP114D, ASP132C, ASP132D, GLN109C, GLN109D, GLN123C, GLN123D, GLN98C, GLN98D, GLU105C, GLU105D, GLU111C, GLU111D, GLU120C, GLU120D, GLU122C, GLU122D, GLU125C, GLU125D, GLU96C, GLU96D, ILE113C, ILE113D, ILE121C, ILE121D, ILE130C, ILE130D, ILE95C, ILE95D, LEU110C, LEU110D, LEU116C, LEU116D, LEU126C, LEU126D, LEU127C, LEU127D, LEU134C, LEU134D, LYS104C, LYS104D, LYS115C, LYS128C, LYS128D, LYS133C, LYS133D, MET106C, MET106D, MET112C, MET112D, MET99C, MET99D, THR117C, THR117D, THR118C, THR118D, THR135C, THR135D, THR97C, TYR131C, TYR131D, VAL102C, VAL102D, VAL103C, VAL103D, VAL124C, VAL124D, VAL136D