3FQ9

design of an insulin analog with enhanced receptor-binding selectivity. rationale, structure, and therapeutic implications

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 46
  • Norm. En. per Res.: -3.9875
• 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	-65.6517	-14.2534	1240.72	1160.8149	48	22	9	8879	0	4	2
A-D	0.0	0.0	-5.4212	-5.4212	16	0	0	332	0	0	1
B-C	0.0	0.0	-3.4687	-3.4687	12	0	0	248	0	0	1
B-D	-42.0029	30.7825	-172.203	-183.4235	46	6	6	6043	0	4	4
C-D	-31.593	-15.0321	1307.67	1261.045	48	17	8	8777	0	3	2

Interface residues

• A-B: ALA14B, ARG22B, ASN18A, ASN21A, ASN3B, CYS11A, CYS19B, CYS20A, CYS6A, CYS7A, CYS7B, GLN15A, GLN4B, GLN5A, GLU13B, GLU17A, GLU21B, GLU4A, GLY20B, GLY23B, GLY8B, HIS10B, HIS5B, ILE10A, ILE2A, LEU11B, LEU13A, LEU15B, LEU16A, LEU17B, LEU6B, LYS29B, PHE1B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, THR27B, THR30B, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL2B, VAL3A
• A-D: ASN21A, CYS20A, GLU21D, GLU4A, GLY20D, GLY23D, LYS29D, PHE24D, PHE25D, PRO28D, THR27D, THR30D, TYR16D, TYR19A, TYR26D, VAL3A
• B-C: ASN21C, CYS20C, GLU21B, PHE24B, PHE25B, PRO28B, THR27B, THR30B, TYR16B, TYR19C, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, ARG22B, ARG22D, CYS19B, CYS19D, CYS7B, CYS7D, GLU13B, GLU13D, GLU21B, GLU21D, GLY20B, GLY20D, GLY23B, GLY23D, GLY8B, GLY8D, HIS10B, HIS10D, LEU11B, LEU11D, LEU15B, LEU15D, LEU17B, LEU17D, LYS29B, LYS29D, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, THR30B, THR30D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D
• C-D: ALA14D, ARG22D, ASN18C, ASN21C, ASN3D, CYS11C, CYS19D, CYS20C, CYS6C, CYS7C, CYS7D, GLN15C, GLN4D, GLN5C, GLU13D, GLU17C, GLU21D, GLU4C, GLY20D, GLY23D, GLY8D, HIS10D, HIS5D, ILE10C, ILE2C, LEU11D, LEU13C, LEU15D, LEU16C, LEU17D, LEU6D, LYS29D, PHE1D, PHE24D, PHE25D, PRO28D, SER12C, SER9C, THR27D, THR30D, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL2D, VAL3C