1VZJ

structure of the tetramerization domain of acetylcholinesterase: four-fold interaction of a www motif with a left-handed polyproline helix

• Total interactions analyzed: 45
• Total true interactions: 23
• Strongest Interaction:
  • Chains: D-I
  • Int. Res.: 45
  • Norm. En. per Res.: -4.1706
• Hub Node: A(4)

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	0.0	15.6395	-92.4454	-76.8059	44	4	0	3581	0	11	13
A-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
A-D	-8.0364	-3.3764	-48.6657	-60.0785	29	0	0	1879	1	6	11
A-I	0.0	0.0	-130.207	-130.207	38	5	1	4074	0	0	0
B-C	-5.1955	3.4149	-84.2107	-85.9914	46	9	0	3540	0	10	16
B-D	0.0	0.0	-0.0021	-0.0021	2	0	0	2	0	0	0
B-I	0.0	0.0	-128.804	-128.804	44	9	3	4482	0	0	0
C-D	-9.0842	-1.6457	-100.441	-111.1709	47	3	0	3889	0	13	14
C-E	0.0	0.0	-0.0054	-0.0054	2	0	0	4	0	1	0
C-H	0.0	-4.5691	-11.054	-15.6232	12	2	0	426	0	5	5
C-I	0.0	0.0	-161.862	-161.862	45	1	4	5421	0	0	0
D-G	0.0	0.0	-0.2686	-0.2686	3	0	0	60	0	1	4
D-H	0.0	-28.3702	-50.6023	-78.9725	25	1	0	1896	2	19	12
D-I	0.0	0.0	-187.678	-187.678	45	5	4	5445	0	0	0
E-F	0.0	1.2249	-84.6638	-83.4389	45	0	0	3277	0	11	14
E-H	0.0	-1.9673	-33.451	-35.4183	30	0	0	1480	0	5	12
E-J	0.0	0.0	-115.026	-115.026	37	2	1	3529	0	0	0
F-G	0.0	4.745	-86.8466	-82.1016	48	4	0	3642	0	10	17
F-J	0.0	0.0	-120.124	-120.124	45	2	3	4228	0	0	0
G-H	-13.6496	-1.8771	-103.449	-118.9757	47	6	0	4013	0	13	14
G-J	0.0	0.0	-172.31	-172.31	47	2	5	5779	0	0	0
H-I	0.0	0.0	-0.0223	-0.0223	2	0	0	11	0	0	0
H-J	0.0	0.0	-184.36	-184.36	46	1	5	5443	0	0	0

Interface residues

• A-B: ALA12A, ALA6A, ARG16A, ARG8A, ARG8B, ASN26A, ASN26B, ASP29B, ASP4A, ASP4B, GLN27A, GLN9A, GLU13A, GLU5A, GLU7A, GLU7B, HIS15A, HIS23A, HIS23B, LEU3A, LEU3B, LYS11A, LYS11B, LYS25A, LYS25B, PHE14A, PHE14B, PHE28A, PHE28B, SER18A, SER18B, SER19A, SER19B, TRP10A, TRP10B, TRP17A, TRP17B, TRP24A, TRP24B, TYR20A, TYR20B, TYR31B, VAL22A, VAL22B
• A-C: TRP17A, TYR20C
• A-D: ARG16D, ASN26D, ASP4A, GLN27D, GLN9D, GLU13D, GLU7A, HIS23D, HIS30D, LYS11A, LYS25A, LYS25D, PHE14A, PHE14D, PHE28A, PHE28D, SER18A, SER18D, SER19D, SER32D, TRP10A, TRP10D, TRP17A, TRP17D, TRP24A, TRP24D, TYR20D, TYR31D, VAL22A
• A-I: ALA12A, ALA6A, ARG16A, ARG8A, ASP4A, GLN27A, GLN9A, GLU13A, GLU7A, HIS15A, HIS23A, LEU1I, LEU2I, LEU3A, LEU9I, LYS11A, LYS25A, PHE10I, PHE14A, PHE14I, PHE15I, PHE28A, PRO11I, PRO12I, PRO13I, PRO4I, PRO5I, PRO6I, PRO7I, PRO8I, SER18A, SER19A, THR3I, TRP10A, TRP17A, TRP24A, TYR20A, VAL22A
• B-C: ALA12B, ALA6B, ARG16B, ARG8B, ASN26B, ASN26C, ASP1C, ASP29C, ASP4C, GLN27B, GLN9B, GLU13B, GLU5B, GLU7B, GLU7C, HIS15B, HIS15C, HIS23B, HIS23C, LEU3B, LEU3C, LYS11B, LYS11C, LYS25B, LYS25C, PHE14B, PHE14C, PHE28B, PHE28C, SER18B, SER18C, SER19B, SER32C, THR2B, TRP10B, TRP10C, TRP17B, TRP17C, TRP24B, TRP24C, TYR20B, TYR20C, TYR31B, TYR31C, VAL22B, VAL22C
• B-D: TYR31B, TYR31D
• B-I: ALA12B, ALA6B, ARG16B, ARG8B, ASN26B, ASP1B, ASP29B, ASP4B, GLN27B, GLN9B, GLU13B, GLU5B, GLU7B, HIS23B, HIS30B, LEU1I, LEU2I, LEU3B, LEU9I, LYS11B, LYS25B, PHE10I, PHE14B, PHE14I, PHE15I, PHE28B, PRO11I, PRO12I, PRO13I, PRO4I, PRO5I, PRO6I, PRO7I, PRO8I, SER18B, SER19B, THR2B, THR3I, TRP10B, TRP17B, TRP24B, TYR20B, TYR31B, VAL22B
• C-D: ALA12C, ALA6C, ARG16C, ARG8C, ASN26C, ASN26D, ASP29D, ASP4D, GLN27C, GLN9C, GLU13C, GLU5C, GLU7C, GLU7D, HIS15C, HIS15D, HIS23C, HIS23D, HIS30D, LEU3C, LEU3D, LYS11C, LYS11D, LYS25C, LYS25D, PHE14C, PHE14D, PHE28C, PHE28D, SER18C, SER18D, SER19C, SER19D, SER32D, THR2C, TRP10C, TRP10D, TRP17C, TRP17D, TRP24C, TRP24D, TYR20C, TYR20D, TYR31C, TYR31D, VAL22C, VAL22D
• C-E: ASP1C, PHE28E
• C-H: ALA6C, ASN26H, ASP1C, ASP29H, ASP4C, GLN27H, GLN9C, GLU5C, HIS30H, LEU3C, SER32H, THR2C
• C-I: ALA6C, ARG16C, ARG8C, ASN26C, ASP1C, ASP29C, ASP4C, GLN27C, GLN9C, GLU13C, GLU5C, GLU7C, HIS15C, HIS23C, HIS30C, LEU1I, LEU2I, LEU3C, LEU9I, LYS11C, LYS25C, PHE10I, PHE14C, PHE14I, PHE15I, PHE28C, PRO11I, PRO12I, PRO13I, PRO4I, PRO5I, PRO6I, PRO7I, PRO8I, SER18C, SER19C, SER32C, THR2C, THR3I, TRP10C, TRP17C, TRP24C, TYR20C, TYR31C, VAL22C
• D-G: ARG16G, ARG8D, TYR20G
• D-H: ALA6D, ARG8D, ASN26H, ASP1D, ASP29H, ASP4D, GLN27H, GLN9D, GLU5D, GLU7D, HIS15D, HIS23H, HIS30H, LEU3D, LYS11D, LYS25H, PHE28H, SER18H, SER19H, SER32H, THR2D, TRP24H, TYR20H, TYR31H, VAL22H
• D-I: ALA12D, ALA6D, ARG16D, ARG8D, ASN26D, ASP29D, ASP4D, GLN27D, GLN9D, GLU13D, GLU5D, GLU7D, HIS15D, HIS23D, HIS30D, LEU1I, LEU2I, LEU3D, LEU9I, LYS11D, LYS25D, PHE10I, PHE14D, PHE14I, PHE15I, PHE28D, PRO11I, PRO12I, PRO13I, PRO4I, PRO5I, PRO6I, PRO7I, PRO8I, SER18D, SER19D, SER32D, THR2D, THR3I, TRP10D, TRP17D, TRP24D, TYR20D, TYR31D, VAL22D
• E-F: ALA12E, ALA6E, ARG16E, ARG8E, ASN26E, ASN26F, ASP29F, ASP4E, ASP4F, GLN27E, GLN9E, GLU13E, GLU5E, GLU7E, GLU7F, HIS15E, HIS23E, HIS23F, LEU3E, LEU3F, LYS11E, LYS11F, LYS25E, LYS25F, PHE14E, PHE14F, PHE28E, PHE28F, SER18E, SER18F, SER19E, SER19F, SER32F, THR2E, TRP10E, TRP10F, TRP17E, TRP17F, TRP24E, TRP24F, TYR20E, TYR20F, TYR31F, VAL22E, VAL22F
• E-H: ALA6H, ARG16H, ASN26H, ASP4E, GLN27E, GLN27H, GLN9H, GLU13H, GLU7E, HIS15E, HIS23H, HIS30H, LYS11E, LYS25E, LYS25H, PHE14E, PHE14H, PHE28E, PHE28H, SER18E, SER18H, SER19H, TRP10E, TRP10H, TRP17E, TRP17H, TRP24E, TRP24H, TYR20H, TYR31H
• E-J: ALA12E, ALA6E, ARG16E, ARG8E, ASP4E, GLN27E, GLN9E, GLU13E, GLU7E, HIS15E, HIS23E, LEU1J, LEU2J, LEU3E, LEU9J, LYS11E, LYS25E, PHE10J, PHE14E, PHE14J, PHE28E, PRO11J, PRO12J, PRO13J, PRO4J, PRO5J, PRO6J, PRO7J, PRO8J, SER18E, SER19E, THR3J, TRP10E, TRP17E, TRP24E, TYR20E, VAL22E
• F-G: ALA12F, ALA6F, ARG16F, ARG8F, ASN26F, ASN26G, ASP1G, ASP29G, ASP4F, ASP4G, GLN27F, GLN34G, GLN9F, GLU13F, GLU5F, GLU7F, GLU7G, HIS15F, HIS15G, HIS23F, LEU3F, LEU3G, LYS11F, LYS11G, LYS25F, LYS25G, LYS33G, PHE14F, PHE14G, PHE28F, PHE28G, SER18F, SER18G, SER19F, SER32G, THR2F, TRP10F, TRP10G, TRP17F, TRP17G, TRP24F, TRP24G, TYR20F, TYR20G, TYR31F, TYR31G, VAL22F, VAL22G
• F-J: ALA12F, ALA6F, ARG16F, ARG8F, ASN26F, ASP1F, ASP29F, ASP4F, GLN27F, GLN9F, GLU13F, GLU5F, GLU7F, HIS23F, HIS30F, LEU1J, LEU2J, LEU3F, LEU9J, LYS11F, LYS25F, PHE10J, PHE14F, PHE14J, PHE15J, PHE28F, PRO11J, PRO12J, PRO13J, PRO4J, PRO5J, PRO6J, PRO7J, PRO8J, SER18F, SER19F, SER32F, THR2F, THR3J, TRP10F, TRP17F, TRP24F, TYR20F, TYR31F, VAL22F
• G-H: ALA12G, ALA6G, ARG16G, ARG8G, ASN26G, ASN26H, ASP29H, GLN27G, GLN27H, GLN34G, GLN9G, GLU13G, GLU5G, GLU7G, GLU7H, HIS15G, HIS15H, HIS23G, HIS23H, HIS30H, LEU3G, LYS11G, LYS11H, LYS25G, LYS25H, PHE14G, PHE14H, PHE28G, PHE28H, SER18G, SER18H, SER19G, SER19H, SER32H, THR2G, TRP10G, TRP10H, TRP17G, TRP17H, TRP24G, TRP24H, TYR20G, TYR20H, TYR31G, TYR31H, VAL22G, VAL22H
• G-J: ALA6G, ARG16G, ARG8G, ASN26G, ASP1G, ASP29G, ASP4G, GLN27G, GLN34G, GLN9G, GLU13G, GLU5G, GLU7G, HIS15G, HIS23G, HIS30G, LEU1J, LEU2J, LEU3G, LEU9J, LYS11G, LYS25G, LYS33G, PHE10J, PHE14G, PHE14J, PHE15J, PHE28G, PRO11J, PRO12J, PRO13J, PRO4J, PRO5J, PRO6J, PRO7J, PRO8J, SER18G, SER19G, SER32G, THR2G, THR3J, TRP10G, TRP17G, TRP24G, TYR20G, TYR31G, VAL22G
• H-I: ASN26H, PHE15I
• H-J: ALA12H, ALA6H, ARG16H, ARG8H, ASN26H, ASP1H, ASP29H, ASP4H, GLN27H, GLN9H, GLU13H, GLU5H, GLU7H, HIS15H, HIS23H, HIS30H, LEU1J, LEU2J, LEU3H, LEU9J, LYS11H, LYS25H, PHE10J, PHE14H, PHE14J, PHE15J, PHE28H, PRO11J, PRO12J, PRO13J, PRO4J, PRO5J, PRO6J, PRO7J, PRO8J, SER18H, SER19H, SER32H, THR2H, THR3J, TRP10H, TRP17H, TRP24H, TYR20H, TYR31H, VAL22H