1XW7

diabetes-associated mutations in human insulin: crystal structure and photo-cross-linking studies of a-chain variant insulin wakayama

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 56
  • Norm. En. per Res.: -4.4802
• 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	-12.9071	-35.608	1420.8	1372.2849	49	14	7	6458	3	3	1
A-D	0.0	0.0	-0.8911	-0.8911	9	0	0	115	0	0	1
B-C	0.0	0.0	-6.4404	-6.4404	13	0	0	317	0	0	1
B-D	-51.1138	-3.9829	-195.793	-250.8897	56	5	7	6628	0	8	6
C-D	-23.1201	-31.0694	1361.86	1307.6704	49	18	8	6900	2	3	2

Interface residues

• A-B: ALA14B, ARG22B, ASN18A, ASN21A, ASN3B, CYS11A, CYS19B, CYS20A, CYS6A, CYS7A, CYS7B, GLN15A, GLN4B, GLN5A, GLU13B, GLU17A, GLU21B, GLU4A, GLY1A, GLY20B, GLY23B, GLY8B, HIS10B, HIS5B, ILE10A, ILE2A, LEU11B, LEU13A, LEU15B, LEU16A, LEU17B, LEU3A, LEU6B, LYS29B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, SER9B, THR27B, THR30B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B
• A-D: ASN21A, GLU21D, ILE2A, LEU3A, PHE25D, PRO28D, THR27D, TYR16D, TYR26D
• B-C: ASN21C, CYS20C, GLU21B, GLY20B, ILE2C, LEU3C, PHE24B, PHE25B, PRO28B, THR27B, TYR16B, TYR19C, TYR26B
• B-D: ALA14B, ALA14D, ARG22B, ARG22D, ASN3B, ASN3D, CYS19B, CYS19D, CYS7B, CYS7D, GLN4B, GLN4D, GLU13B, GLU13D, GLU21B, GLU21D, GLY20B, GLY20D, GLY23B, GLY23D, GLY8B, GLY8D, HIS10B, HIS10D, HIS5B, HIS5D, LEU11B, LEU11D, LEU15B, LEU15D, LEU17B, LEU17D, LEU6B, LEU6D, LYS29B, LYS29D, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D, VAL18B, VAL18D, VAL2B, VAL2D
• C-D: ALA14D, ARG22D, ASN18C, ASN21C, ASN3D, CYS11C, CYS19D, CYS20C, CYS6C, CYS7C, CYS7D, GLN15C, GLN4D, GLN5C, GLU13D, GLU17C, GLU21D, GLU4C, GLY1C, GLY20D, GLY23D, GLY8D, HIS10D, HIS5D, ILE10C, ILE2C, LEU11D, LEU13C, LEU15D, LEU16C, LEU17D, LEU3C, LEU6D, LYS29D, PHE24D, PHE25D, PRO28D, SER12C, SER9C, SER9D, THR27D, THR30D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D