1NAQ

crystal structure of cuta1 from e.coli at 1.7 a resolution

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 97
  • Norm. En. per Res.: -4.3806
• 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	-100.4	-50.3633	-265.357	-416.1202	97	12	18	11498	5	12	9
A-C	-95.7182	-47.2814	-265.04	-408.0396	97	13	18	11795	5	12	9
A-D	0.0	0.0	-0.1282	-0.1282	4	0	0	46	0	0	0
A-E	0.0	0.0	-31.3951	-31.3951	45	5	2	3268	0	1	1
A-F	0.0	0.0	-37.3199	-37.3199	32	1	0	1740	0	0	3
B-C	-102.4311	-52.1055	-265.367	-419.9036	98	15	18	11752	5	14	9
B-D	-5.4309	0.0	-58.5689	-63.9998	42	5	2	3000	0	0	1
B-E	-5.255	0.7401	-36.2781	-40.793	31	0	0	1709	0	2	3
B-F	0.0	0.0	-0.1191	-0.1191	4	0	0	37	0	0	0
C-D	0.0	0.398	-26.4052	-26.0072	31	3	0	1708	0	2	3
C-E	0.0	0.0	-0.1241	-0.1241	4	0	0	45	0	0	0
C-F	0.0	0.0	-56.2506	-56.2506	43	1	3	2795	0	0	1
D-E	-105.0444	-54.4126	-263.213	-422.67	100	13	18	11622	5	12	9
D-F	-109.9225	-50.9321	-264.06	-424.9145	97	14	18	11782	4	13	9
E-F	-104.5882	-53.1054	-263.794	-421.4877	98	13	18	11672	5	14	10

Interface residues

• A-B: ALA109B, ALA24B, ALA28B, ALA29B, ALA33B, ALA37B, ALA38B, ALA40B, ALA46A, ALA46B, ASP100B, ASP102B, ASP26B, CYS16A, CYS39B, GLN25B, GLN58A, GLN63A, GLN63B, GLN73A, GLN74A, GLN87A, GLU21B, GLU34B, GLU53A, GLU57A, GLU59A, GLU61A, GLU78A, GLU90A, GLY45A, GLY45B, GLY54A, GLY99B, HIS84A, HIS98B, ILE43A, ILE43B, ILE65A, ILE65B, LEU104B, LEU107B, LEU15A, LEU15B, LEU27B, LEU32B, LEU42B, LEU49A, LEU56A, LEU66B, LEU77A, LEU80A, LEU91A, LEU92A, LEU94A, LEU94B, LYS30B, LYS35B, LYS67B, LYS81A, MET64B, PRO44A, PRO44B, PRO89A, PRO95A, PRO95B, SER110B, SER11B, SER48A, THR101B, THR17A, THR41B, THR47A, THR68B, THR88A, THR97A, THR97B, TRP106B, TRP52A, TYR103B, TYR50A, TYR51A, TYR60A, TYR86A, VAL12A, VAL12B, VAL13A, VAL13B, VAL14A, VAL14B, VAL31B, VAL62A, VAL62B, VAL70A, VAL93A, VAL96A, VAL96B
• A-C: ALA109A, ALA24A, ALA28A, ALA29A, ALA33A, ALA37A, ALA38A, ALA40A, ALA46A, ALA46C, ASP100A, ASP102A, ASP26A, CYS39A, GLN25A, GLN58C, GLN63A, GLN63C, GLN73C, GLN74C, GLN87C, GLU21A, GLU34A, GLU53C, GLU57C, GLU59C, GLU61C, GLU78C, GLU90C, GLY45A, GLY45C, GLY54C, GLY99A, HIS84C, HIS98A, ILE43A, ILE43C, ILE65A, ILE65C, LEU104A, LEU107A, LEU15A, LEU15C, LEU27A, LEU32A, LEU42A, LEU49C, LEU56C, LEU66A, LEU77C, LEU80C, LEU91C, LEU92C, LEU94A, LEU94C, LYS30A, LYS35A, LYS67A, LYS81C, MET64A, MET64C, PRO44A, PRO44C, PRO89C, PRO95A, PRO95C, SER110A, SER11A, SER48C, THR101A, THR17C, THR41A, THR47C, THR68A, THR88C, THR97A, THR97C, TRP106A, TRP52C, TYR103A, TYR50C, TYR51C, TYR60C, TYR86C, VAL12A, VAL12C, VAL13A, VAL13C, VAL14A, VAL14C, VAL31A, VAL62A, VAL62C, VAL70C, VAL93C, VAL96A, VAL96C
• A-D: PRO95A, PRO95D, THR97A, THR97D
• A-E: ALA10A, ALA10E, ALA75A, ALA75E, ARG112A, ASN108A, ASN108E, ASN8A, ASN8E, GLN73A, GLN73E, GLN74A, GLN74E, GLU78A, GLU78E, HIS72A, HIS72E, LEU77A, LEU77E, LEU94A, LEU94E, LYS81A, LYS81E, PRO95A, PRO95E, SER11A, SER71A, SER71E, SER7A, SER7E, THR68E, THR69A, THR69E, THR97A, THR97E, THR9A, THR9E, VAL12A, VAL12E, VAL70A, VAL70E, VAL93A, VAL93E, VAL96A, VAL96E
• A-F: ALA10A, ALA10F, ASN108A, ASN108F, ASN8A, ASN8F, ASP100F, GLY99A, GLY99F, HIS98A, HIS98F, LEU104A, LEU104F, LEU94A, LEU94F, PRO95A, PRO95F, SER11A, SER11F, SER7A, THR101A, THR101F, THR97A, THR97F, THR9A, THR9F, VAL12A, VAL12F, VAL70A, VAL70F, VAL96A, VAL96F
• B-C: ALA22C, ALA24C, ALA28C, ALA29C, ALA33C, ALA37C, ALA38C, ALA40C, ALA46B, ASP100C, ASP102C, ASP26C, CYS16B, CYS39C, GLN25C, GLN58B, GLN63B, GLN63C, GLN73B, GLN74B, GLN87B, GLU21C, GLU34C, GLU53B, GLU57B, GLU59B, GLU61B, GLU78B, GLU90B, GLY45B, GLY54B, GLY99C, HIS84B, HIS98C, ILE43B, ILE43C, ILE65B, ILE65C, LEU104C, LEU107C, LEU111C, LEU15B, LEU15C, LEU27C, LEU32C, LEU42C, LEU49B, LEU56B, LEU66C, LEU77B, LEU80B, LEU91B, LEU92B, LEU94B, LEU94C, LYS30C, LYS35C, LYS67C, LYS81B, MET64B, MET64C, PRO44B, PRO44C, PRO89B, PRO95B, PRO95C, SER105C, SER110C, SER11C, SER48B, THR101C, THR17B, THR41C, THR47B, THR68C, THR88B, THR97C, TRP106C, TRP52B, TYR103C, TYR50B, TYR51B, TYR60B, TYR86B, VAL12B, VAL12C, VAL13B, VAL13C, VAL14B, VAL14C, VAL31C, VAL62B, VAL62C, VAL70B, VAL93B, VAL93C, VAL96B, VAL96C
• B-D: ALA10B, ALA10D, ALA75B, ALA75D, ASN108B, ASN108D, ASN8D, GLN73B, GLN73D, GLN74B, GLN74D, GLU78B, GLU78D, HIS72B, HIS72D, LEU111B, LEU77B, LEU77D, LEU91B, LEU94B, LYS81B, PRO95B, PRO95D, SER11B, SER11D, SER71B, SER71D, THR68B, THR69B, THR69D, THR97B, THR97D, THR9B, THR9D, VAL12B, VAL12D, VAL70B, VAL70D, VAL93B, VAL93D, VAL96B, VAL96D
• B-E: ALA10B, ALA10E, ASN108E, ASN8E, ASP100B, ASP100E, ASP102B, GLY99B, GLY99E, HIS98B, HIS98E, LEU104B, LEU104E, LEU94B, PRO95B, PRO95E, SER11B, SER11E, SER7E, THR101B, THR101E, THR97B, THR97E, THR9B, THR9E, VAL12B, VAL12E, VAL70B, VAL70E, VAL96B, VAL96E
• B-F: PRO95B, PRO95F, THR97B, THR97F
• C-D: ALA10C, ALA10D, ASN108D, ASN8C, ASN8D, ASP100C, ASP100D, GLY99C, GLY99D, HIS98C, HIS98D, LEU104C, LEU104D, LEU94C, LEU94D, PRO95C, PRO95D, SER11C, SER11D, THR101C, THR101D, THR97C, THR97D, THR9C, THR9D, VAL12C, VAL12D, VAL70C, VAL70D, VAL96C, VAL96D
• C-E: PRO95C, PRO95E, THR97C, THR97E
• C-F: ALA10C, ALA10F, ALA75C, ALA75F, ARG112C, ASN108C, ASN108F, ASN8C, ASN8F, GLN73C, GLN73F, GLN74C, GLN74F, GLU78C, GLU78F, HIS72C, HIS72F, LEU77C, LEU77F, LEU94C, LEU94F, LYS81C, LYS81F, PRO95C, PRO95F, SER11C, SER11F, SER71C, SER71F, THR69C, THR69F, THR97C, THR97F, THR9C, THR9F, VAL12C, VAL12F, VAL70C, VAL70F, VAL93C, VAL93F, VAL96C, VAL96F
• D-E: ALA24E, ALA28E, ALA29E, ALA33E, ALA37E, ALA38E, ALA40E, ALA46D, ALA46E, ASP100E, ASP102E, ASP26E, CYS16D, CYS39E, GLN25E, GLN58D, GLN63D, GLN63E, GLN73D, GLN74D, GLN87D, GLU21E, GLU34E, GLU53D, GLU57D, GLU59D, GLU61D, GLU78D, GLU90D, GLY45D, GLY54D, GLY99E, HIS84D, HIS98E, ILE43D, ILE43E, ILE65D, ILE65E, LEU104E, LEU107E, LEU111E, LEU15D, LEU15E, LEU27E, LEU32E, LEU36E, LEU42E, LEU49D, LEU56D, LEU66E, LEU77D, LEU80D, LEU91D, LEU92D, LEU94D, LEU94E, LYS30E, LYS35E, LYS55D, LYS67E, LYS81D, MET64D, MET64E, PRO44D, PRO44E, PRO89D, PRO95D, PRO95E, SER105E, SER110E, SER11E, SER48D, THR101E, THR17D, THR41E, THR47D, THR68E, THR88D, THR97D, THR97E, TRP106E, TRP52D, TYR103E, TYR50D, TYR51D, TYR60D, TYR86D, VAL12D, VAL12E, VAL13D, VAL13E, VAL14D, VAL14E, VAL31E, VAL62D, VAL62E, VAL93D, VAL93E, VAL96D, VAL96E
• D-F: ALA24D, ALA28D, ALA29D, ALA33D, ALA37D, ALA38D, ALA40D, ALA46D, ALA46F, ASP100D, ASP102D, ASP26D, CYS16F, CYS39D, GLN25D, GLN58F, GLN63D, GLN63F, GLN73F, GLN74F, GLN87F, GLU21D, GLU34D, GLU53F, GLU57F, GLU59F, GLU61F, GLU78F, GLU90F, GLY45F, GLY54F, GLY99D, HIS84F, HIS98D, ILE43D, ILE43F, ILE65D, ILE65F, LEU104D, LEU107D, LEU15D, LEU15F, LEU27D, LEU32D, LEU42D, LEU49F, LEU56F, LEU66D, LEU77F, LEU80F, LEU91F, LEU92F, LEU94D, LEU94F, LYS30D, LYS35D, LYS67D, LYS81F, MET64D, MET64F, PRO44D, PRO44F, PRO89F, PRO95D, PRO95F, SER105D, SER110D, SER11D, SER48F, THR101D, THR17F, THR41D, THR47F, THR68D, THR88F, THR97D, THR97F, TRP106D, TRP52F, TYR103D, TYR50F, TYR51F, TYR86F, VAL12D, VAL12F, VAL13D, VAL13F, VAL14D, VAL14F, VAL31D, VAL62D, VAL62F, VAL70F, VAL93D, VAL93F, VAL96D, VAL96F
• E-F: ALA24F, ALA28F, ALA29F, ALA33F, ALA37F, ALA38F, ALA40F, ALA46E, ALA46F, ASP100F, ASP102F, ASP26F, CYS16E, CYS39F, GLN25F, GLN58E, GLN63E, GLN63F, GLN73E, GLN74E, GLN87E, GLU21F, GLU34F, GLU53E, GLU57E, GLU59E, GLU61E, GLU78E, GLU90E, GLY45E, GLY54E, GLY99F, HIS84E, HIS98F, ILE43E, ILE43F, ILE65E, ILE65F, LEU104F, LEU107F, LEU111F, LEU15E, LEU15F, LEU27F, LEU32F, LEU42F, LEU49E, LEU56E, LEU66F, LEU77E, LEU80E, LEU91E, LEU92E, LEU94E, LEU94F, LYS30F, LYS35F, LYS67F, LYS81E, MET64E, MET64F, PRO44E, PRO44F, PRO89E, PRO95E, PRO95F, SER105F, SER110F, SER11F, SER48E, THR101F, THR17E, THR41F, THR47E, THR68F, THR88E, THR97E, THR97F, TRP106F, TRP52E, TYR103F, TYR50E, TYR51E, TYR60E, TYR86E, VAL12E, VAL12F, VAL13E, VAL13F, VAL14E, VAL14F, VAL31F, VAL62E, VAL62F, VAL93E, VAL93F, VAL96E, VAL96F