1TET

crystal structure of an anticholera toxin peptide complex at 2.3 angstroms

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 28
  • Norm. En. per Res.: -4.049
• Hub Node: L(2)

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
L-H	-14.7877	-13.516	-446.549	-474.8527	175	16	9	17632	4	17	15
L-P	-19.7645	-20.1769	-73.4306	-113.372	28	2	1	2797	2	3	6
H-P	-10.0657	1.117	-124.309	-133.2577	36	3	0	3853	0	2	2

Interface residues

• L-H: ALA125H, ALA130L, ALA168H, ALA60H, ALA93H, ARG188H, ARG211L, ARG213H, ARG54L, ARG94H, ARG95H, ASN137L, ASN138L, ASN161L, ASN31L, ASN53L, ASP101H, ASP165L, ASP167L, ASP170L, ASP1L, ASP61H, ASP62H, CYS134L, CYS140H, CYS88L, CYS92H, GLN124L, GLN171H, GLN1H, GLN38L, GLN39H, GLN42L, GLN6H, GLN90L, GLU123L, GLU34L, GLY101L, GLY104H, GLY106H, GLY129L, GLY139H, GLY158L, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY91L, GLY99L, HIS164H, HIS93L, ILE117L, ILE210H, ILE2H, ILE48L, ILE94L, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU37L, LEU3L, LEU46L, LEU47L, LEU4H, LYS143H, LYS208H, LYS38H, LYS43H, LYS45L, LYS46H, LYS50L, MET135H, MET175L, MET48H, PHE100H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE33L, PHE45H, PHE55L, PHE63H, PHE89L, PHE91H, PHE96L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO95L, SER100L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER162L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER35H, SER43L, SER56L, SER92L, SER96H, THR105H, THR114L, THR126L, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR31L, THR40H, THR58H, THR89H, THR97L, TRP100H, TRP103H, TRP154H, TRP163L, TRP35L, TRP36H, TRP47H, TRP50H, TYR100H, TYR122H, TYR173L, TYR175H, TYR186L, TYR32H, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR90H, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL211H, VAL37H, VAL85L
• L-P: ASN31L, ASP10P, GLN12P, GLN90L, GLU34L, GLY31L, GLY5P, GLY91L, HIS31L, HIS8P, HIS93L, ILE94L, ILE9P, LYS13P, LYS14P, LYS50L, PHE89L, PHE96L, PRO4P, PRO95L, SER11P, SER31L, SER6P, SER92L, THR31L, TYR32L, VAL30L, VAL3P
• H-P: ARG94H, ARG95H, ASN52H, ASP10P, GLN7P, GLY33H, GLY49H, GLY55H, GLY5P, HIS8P, ILE51H, ILE9P, LEU71H, MET34H, PHE100H, PHE29H, PRO4P, SER11P, SER35H, SER54H, SER6P, SER96H, THR28H, THR30H, THR31H, THR52H, THR58H, TRP100H, TRP47H, TRP50H, TYR100H, TYR27H, TYR32H, TYR53H, VAL3P, VAL56H