3U29

structural insights into charge pair interactions in triple helical proteins

• Total interactions analyzed: 15
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 34
  • Norm. En. per Res.: -5.8588
• Hub Node: A(5)

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	-42.2466	-11.9763	-133.636	-187.8588	34	5	0	3261	1	2	2
A-C	-20.7676	-4.8983	-120.875	-146.5409	34	4	0	3111	0	2	2
A-D	0.0	21.4341	-7.3556	14.0785	11	1	0	159	0	2	2
A-E	0.0	5.3432	-7.1924	-1.8492	10	1	0	236	0	2	1
A-F	0.0	0.0	-0.0052	-0.0052	3	0	0	3	0	1	1
B-C	-39.0917	-14.4006	-144.947	-198.4393	34	6	0	3371	2	2	2
B-D	0.0	0.0	-1.418	-1.418	7	0	0	126	0	2	1
B-F	0.0	0.0	-3.8941	-3.8941	11	0	0	173	0	0	0
C-D	0.0	-7.9921	-1.1369	-9.129	5	0	0	72	1	1	1
C-E	0.0	0.0	-3.757	-3.757	13	0	0	179	0	1	0
C-F	0.0	0.0	-6.5869	-6.5869	11	1	0	289	0	0	1
D-E	-35.0554	-0.9039	-120.321	-156.2803	33	3	0	2965	0	2	2
D-F	-25.6955	-0.9246	-106.408	-133.0281	33	4	0	2892	0	2	2
E-F	-46.4345	-10.6497	-142.115	-199.1992	34	5	0	3423	1	2	2

Interface residues

• A-B: ASP13A, ASP13B, GLY12A, GLY12B, GLY15A, GLY15B, GLY18A, GLY18B, GLY21A, GLY21B, GLY24A, GLY24B, GLY3A, GLY3B, GLY6A, GLY6B, GLY9A, GLY9B, LYS11A, LYS11B, PRO10A, PRO10B, PRO16A, PRO16B, PRO19A, PRO19B, PRO1A, PRO1B, PRO22A, PRO22B, PRO4A, PRO4B, PRO7A, PRO7B
• A-C: ASP13A, ASP13C, GLY12A, GLY12C, GLY15A, GLY15C, GLY18A, GLY18C, GLY21A, GLY21C, GLY24A, GLY24C, GLY3A, GLY3C, GLY6A, GLY6C, GLY9A, GLY9C, LYS11A, LYS11C, PRO10A, PRO10C, PRO16A, PRO16C, PRO19A, PRO19C, PRO1A, PRO1C, PRO22A, PRO22C, PRO4A, PRO4C, PRO7A, PRO7C
• A-D: ASP13A, ASP13D, GLY12A, GLY12D, GLY15A, GLY15D, LYS11D, PRO10A, PRO10D, PRO16A, PRO16D
• A-E: ASP13A, ASP13E, GLY12E, GLY15E, GLY9A, LYS11A, PRO10A, PRO16E, PRO19E, PRO7A
• A-F: ASP13A, GLY12F, LYS11F
• B-C: ASP13B, ASP13C, GLY12B, GLY12C, GLY15B, GLY15C, GLY18B, GLY18C, GLY21B, GLY21C, GLY24B, GLY24C, GLY3B, GLY3C, GLY6B, GLY6C, GLY9B, GLY9C, LYS11B, LYS11C, PRO10B, PRO10C, PRO16B, PRO16C, PRO19B, PRO19C, PRO1B, PRO1C, PRO22B, PRO22C, PRO4B, PRO4C, PRO7B, PRO7C
• B-D: GLY15B, GLY9D, LYS11D, PRO10D, PRO16B, PRO19B, PRO7D
• B-F: GLY18B, GLY21B, GLY24B, GLY3F, GLY6F, PRO19B, PRO1B, PRO1F, PRO22B, PRO22F, PRO4F
• C-D: ASP13D, GLY12D, LYS11C, LYS11D, PRO10D
• C-E: GLY18E, GLY21E, GLY24C, GLY3C, GLY3E, GLY6C, GLY9C, PRO16E, PRO19E, PRO1E, PRO22C, PRO4C, PRO7C
• C-F: GLY21C, GLY21F, GLY24C, PRO19C, PRO19F, PRO1C, PRO1F, PRO22C, PRO22F, PRO4C, PRO4F
• D-E: ASP13D, ASP13E, GLY12D, GLY12E, GLY15D, GLY15E, GLY18D, GLY18E, GLY21D, GLY21E, GLY24D, GLY24E, GLY3D, GLY3E, GLY6D, GLY6E, GLY9D, GLY9E, LYS11D, LYS11E, PRO10D, PRO10E, PRO16D, PRO16E, PRO19D, PRO19E, PRO1E, PRO22D, PRO22E, PRO4D, PRO4E, PRO7D, PRO7E
• D-F: ASP13D, ASP13F, GLY12D, GLY12F, GLY15D, GLY15F, GLY18D, GLY18F, GLY21D, GLY21F, GLY24D, GLY24F, GLY3D, GLY3F, GLY6D, GLY6F, GLY9D, GLY9F, LYS11D, LYS11F, PRO10D, PRO10F, PRO16D, PRO16F, PRO19D, PRO19F, PRO1F, PRO22D, PRO22F, PRO4D, PRO4F, PRO7D, PRO7F
• E-F: ASP13E, ASP13F, GLY12E, GLY12F, GLY15E, GLY15F, GLY18E, GLY18F, GLY21E, GLY21F, GLY24E, GLY24F, GLY3E, GLY3F, GLY6E, GLY6F, GLY9E, GLY9F, LYS11E, LYS11F, PRO10E, PRO10F, PRO16E, PRO16F, PRO19E, PRO19F, PRO1E, PRO1F, PRO22E, PRO22F, PRO4E, PRO4F, PRO7E, PRO7F