3BKD

high resolution crystal structure of transmembrane domain of m2 protein

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 9
  • Norm. En. per Res.: -7.9178
• Hub Node: A(6)

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	-21.448	2.5571	-64.5205	-83.4114	31	4	5	2676	0	0	3
A-C	0.0	0.0	-0.8374	-0.8374	10	0	0	169	0	0	2
A-D	-5.3283	3.2221	-55.975	-58.0812	31	2	7	2676	0	0	3
A-F	0.0	0.0	-2.9543	-2.9543	8	0	1	218	0	0	1
A-G	0.0	0.0	-49.5036	-49.5036	26	0	8	2914	0	0	0
A-H	0.0	0.0	-26.1983	-26.1983	18	0	3	1381	0	1	0
B-C	-22.2775	2.8537	-62.3003	-81.7241	30	4	4	2532	0	0	3
B-D	0.0	0.0	-1.2255	-1.2255	14	0	0	244	0	0	2
C-D	-27.8891	-27.5027	-106.142	-161.5338	44	6	6	4337	2	2	5
D-G	0.0	12.3909	-33.8605	-21.4696	18	0	4	1401	0	1	1
D-H	-11.4262	-43.5624	-16.2716	-71.2603	9	1	0	500	4	1	1
E-F	-17.0943	2.8132	-59.9624	-74.2434	31	5	5	2586	0	0	3
E-G	0.0	0.0	-0.764	-0.764	10	0	0	161	0	0	2
E-H	0.0	4.1417	-59.7278	-55.5862	31	3	6	2650	0	0	3
F-G	-15.9174	2.6508	-56.1276	-69.3943	28	4	4	2363	0	0	2
F-H	0.0	0.0	-0.889	-0.889	12	0	0	201	0	0	2
G-H	-27.5665	-26.3647	-105.447	-159.3781	44	7	6	4294	2	2	5

Interface residues

• A-B: ALA29A, ALA29B, ALA30A, ALA30B, ASP24A, ASP24B, GLY34A, GLY34B, HIS37A, HIS37B, ILE32B, ILE35B, LEU26A, LEU26B, LEU36A, LEU36B, LEU38B, LEU40A, PRO25A, PRO25B, SER22A, SER22B, SER23A, SER23B, SER31A, SER31B, TRP41B, VAL27A, VAL27B, VAL28A, VAL28B
• A-C: ASP24A, ASP24C, SER22A, SER22C, SER23A, SER23C, SER31A, SER31C, VAL27A, VAL27C
• A-D: ALA29A, ALA29D, ALA30A, ALA30D, ASP24A, ASP24D, GLY34A, GLY34D, HIS37A, HIS37D, ILE32A, ILE35A, LEU26A, LEU26D, LEU36A, LEU36D, LEU38A, LEU40D, PRO25A, PRO25D, SER22A, SER22D, SER23A, SER23D, SER31A, SER31D, TRP41A, VAL27A, VAL27D, VAL28A, VAL28D
• A-F: ALA29F, ASP44A, ILE39A, LEU26F, LEU40A, LEU43A, LEU46A, PRO25F
• A-G: ALA29G, ASP44G, GLY34A, GLY34G, HIS37A, HIS37G, ILE32A, ILE32G, ILE35A, ILE35G, ILE39A, ILE39G, ILE42A, LEU36A, LEU36G, LEU38A, LEU38G, LEU40A, LEU40G, LEU43A, LEU43G, LEU46A, SER31A, SER31G, VAL28A, VAL28G
• A-H: ALA29A, ALA30A, ARG45H, ASP24A, ASP44H, ILE32A, ILE42H, LEU26A, LEU36A, LEU43H, LEU46H, PRO25A, SER22A, SER23A, SER31A, TRP41H, VAL27A, VAL28A
• B-C: ALA29B, ALA29C, ALA30B, ALA30C, ASP24B, ASP24C, GLY34B, GLY34C, HIS37B, HIS37C, ILE32C, ILE35C, LEU26B, LEU26C, LEU36B, LEU38C, LEU40B, PRO25B, PRO25C, SER22B, SER22C, SER23B, SER23C, SER31B, SER31C, TRP41C, VAL27B, VAL27C, VAL28B, VAL28C
• B-D: ALA30B, ASP24B, ASP24D, HIS37B, HIS37D, LEU38D, SER22B, SER22D, SER23B, SER23D, SER31B, SER31D, VAL27B, VAL27D
• C-D: ALA29C, ALA29D, ALA30C, ALA30D, ARG45C, ARG45D, ASP24C, ASP24D, ASP44C, GLY34C, GLY34D, HIS37C, HIS37D, ILE32C, ILE32D, ILE35C, ILE35D, ILE39C, ILE39D, ILE42C, ILE42D, LEU26C, LEU26D, LEU36C, LEU36D, LEU38C, LEU38D, LEU40C, LEU43C, LEU46D, PRO25C, PRO25D, SER22C, SER22D, SER23C, SER23D, SER31C, SER31D, TRP41C, TRP41D, VAL27C, VAL27D, VAL28C, VAL28D
• D-G: ALA29D, ALA30D, ARG45G, ASP24D, ASP44G, HIS37G, ILE32D, ILE39G, ILE42G, LEU26D, LEU36G, LEU40G, LEU43G, LEU46G, PRO25D, TRP41G, VAL27D, VAL28D
• D-H: ARG45H, ASP24D, ILE42H, LEU26D, LEU46H, PRO25D, TRP41H, VAL27D, VAL28D
• E-F: ALA29E, ALA29F, ALA30E, ALA30F, ASP24E, ASP24F, GLY34E, GLY34F, HIS37E, HIS37F, ILE32F, ILE35F, LEU26E, LEU26F, LEU36E, LEU36F, LEU38F, LEU40E, PRO25E, PRO25F, SER22E, SER22F, SER23E, SER23F, SER31E, SER31F, TRP41F, VAL27E, VAL27F, VAL28E, VAL28F
• E-G: ASP24E, ASP24G, SER22E, SER22G, SER23E, SER23G, SER31E, SER31G, VAL27E, VAL27G
• E-H: ALA29E, ALA29H, ALA30E, ALA30H, ASP24E, ASP24H, GLY34E, GLY34H, HIS37E, HIS37H, ILE32E, ILE35E, LEU26E, LEU26H, LEU36E, LEU36H, LEU38E, LEU40H, PRO25E, PRO25H, SER22E, SER22H, SER23E, SER23H, SER31E, SER31H, TRP41E, VAL27E, VAL27H, VAL28E, VAL28H
• F-G: ALA29F, ALA29G, ALA30F, ALA30G, ASP24F, ASP24G, GLY34F, GLY34G, HIS37F, HIS37G, ILE32G, ILE35G, LEU26F, LEU26G, LEU38G, PRO25F, PRO25G, SER22F, SER22G, SER23F, SER23G, SER31F, SER31G, TRP41G, VAL27F, VAL27G, VAL28F, VAL28G
• F-H: ASP24F, ASP24H, HIS37F, HIS37H, SER22F, SER22H, SER23F, SER23H, SER31F, SER31H, VAL27F, VAL27H
• G-H: ALA29G, ALA29H, ALA30G, ALA30H, ARG45G, ARG45H, ASP24G, ASP24H, ASP44G, GLY34G, GLY34H, HIS37G, HIS37H, ILE32G, ILE32H, ILE35G, ILE35H, ILE39G, ILE39H, ILE42G, ILE42H, LEU26G, LEU26H, LEU36G, LEU36H, LEU38G, LEU38H, LEU40G, LEU43G, LEU46H, PRO25G, PRO25H, SER22G, SER22H, SER23G, SER23H, SER31G, SER31H, TRP41G, TRP41H, VAL27G, VAL27H, VAL28G, VAL28H