1U9F

heterocyclic peptide backbone modification in gcn4-pli based coiled coils: replacement of k(15)l(16)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 57
  • Norm. En. per Res.: -4.7838
• Hub Node: A(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
A-B	-35.9232	-39.3507	-197.403	-272.6769	57	16	11	8236	4	24	30
A-D	-7.8415	-15.072	-16.9538	-39.8673	13	0	0	606	1	2	6
B-D	0.0	16.8306	-47.6846	-30.854	25	2	0	1472	0	12	15
C-D	0.0	-35.5744	-143.119	-178.6934	55	7	10	6604	3	23	29

Interface residues

• A-B: ALA23A, ALA23B, ARG1A, ARG1B, ARG24A, ARG24B, ASN20A, ASN20B, ASP7A, ASP7B, GLN4A, GLN4B, GLU10A, GLU10B, GLU11A, GLU11B, GLU19A, GLU19B, GLU21A, GLU21B, GLU6A, GLU6B, GLY30A, GLY30B, HIS17A, HIS17B, ILE12A, ILE12B, ILE18A, ILE18B, ILE25A, ILE25B, ILE5A, ILE5B, LEU13A, LEU13B, LEU22A, LEU22B, LEU28A, LEU28B, LEU29A, LEU29B, LEU9A, LEU9B, LYS26A, LYS26B, LYS27A, LYS27B, LYS3A, LYS3B, LYS8A, LYS8B, MET2A, MET2B, SER14A, SER14B, TYR16A
• A-D: ARG24D, ASN20A, ASN20D, GLU19A, GLU19D, HIS17A, HIS17D, LEU13A, LEU13D, SER14A, SER14D, TYR16A, TYR16D
• B-D: ASN20B, ASN20D, ASP7B, ASP7D, GLU10B, GLU10D, GLU11B, GLU11D, GLU19D, GLU21B, GLU6B, GLU6D, HIS17B, HIS17D, ILE12B, ILE12D, ILE18B, LEU13B, LEU13D, LEU9B, LYS8B, SER14B, SER14D, TYR16B, TYR16D
• C-D: ALA23C, ALA23D, ARG1C, ARG1D, ARG24C, ARG24D, ASN20C, ASN20D, ASP7C, ASP7D, GLN4C, GLN4D, GLU10C, GLU10D, GLU11C, GLU11D, GLU19C, GLU19D, GLU21C, GLU21D, GLU31C, GLU6C, GLU6D, GLY30C, HIS17C, HIS17D, ILE12C, ILE12D, ILE18C, ILE18D, ILE25C, ILE25D, ILE5C, ILE5D, LEU13C, LEU13D, LEU22C, LEU22D, LEU28D, LEU29C, LEU29D, LEU9C, LEU9D, LYS26C, LYS26D, LYS27C, LYS3C, LYS3D, LYS8C, LYS8D, MET2C, MET2D, SER14C, SER14D, TYR16C