2EKY

crystal structure of hypothetical protein mj1052 from methanocaldococcus jannaschii (form 1)

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 101
  • Norm. En. per Res.: -6.8783
• Hub Node: B(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	-13.7077	50.3787	-255.141	-218.47	116	6	12	11007	1	17	28
A-C	-241.4311	-82.5224	-354.66	-678.6135	99	26	2	14014	10	52	60
A-D	-10.3259	1.2032	-94.1669	-103.2896	48	3	8	4426	0	5	8
B-C	-21.7438	1.2694	-98.6089	-119.0833	48	3	8	4610	0	4	7
B-D	-234.247	-86.4999	-346.256	-667.0029	104	32	3	13733	10	52	58
B-F	-7.4779	9.3514	-66.0629	-64.1894	33	2	0	3047	2	26	29
B-H	0.0	3.4674	-15.2783	-11.8109	26	0	0	945	0	27	22
C-D	-18.1251	45.9309	-264.381	-236.5752	114	9	12	11159	1	16	30
D-F	0.0	0.0	-0.5203	-0.5203	7	0	0	94	0	7	7
D-H	0.0	0.0	-0.0475	-0.0475	5	0	0	25	0	3	1
E-F	-19.0521	51.7241	-268.015	-235.3431	112	11	12	11255	1	16	26
E-G	-238.4618	-82.2279	-358.238	-678.9277	100	27	2	13965	10	51	61
E-H	-12.8394	0.0	-85.2961	-98.1355	45	1	7	4153	0	5	8
F-G	-6.799	0.0	-90.5855	-97.3845	47	9	9	4519	0	4	6
F-H	-232.4264	-101.9545	-360.326	-694.7069	101	30	2	14105	10	57	59
G-H	-15.1945	46.6622	-255.234	-223.7664	111	11	12	10771	1	15	30

Interface residues

• A-B: ALA20A, ALA20B, ALA29A, ALA44A, ALA44B, ALA96A, ALA96B, ALA9A, ALA9B, ARG83A, ARG83B, ARG92A, ARG92B, ASN43A, ASN43B, ASN88A, ASP81A, ASP81B, ASP85A, ASP85B, GLU10A, GLU10B, GLU31A, GLU31B, GLU41A, GLU41B, GLU50A, GLU50B, GLU82A, GLU82B, GLU91A, GLU91B, GLU99A, GLU99B, GLY19A, GLY19B, GLY46A, GLY46B, GLY98A, GLY98B, ILE13A, ILE13B, ILE14A, ILE14B, ILE30A, ILE30B, ILE80A, ILE80B, ILE90A, ILE90B, ILE97A, ILE97B, LEU100A, LEU100B, LEU49A, LEU49B, LEU78A, LEU78B, LEU94A, LEU94B, LYS24A, LYS24B, LYS27A, LYS27B, LYS28A, LYS28B, LYS34A, LYS34B, LYS39A, LYS39B, LYS79A, LYS79B, LYS84A, LYS86A, LYS86B, LYS93A, LYS93B, LYS95A, LYS95B, MET45A, MET45B, PHE33A, SER12A, SER12B, SER21A, SER21B, SER23A, SER23B, SER76A, SER76B, SER77A, SER77B, THR42A, THR42B, THR47A, THR47B, THR89A, THR89B, TYR25A, TYR25B, VAL11A, VAL11B, VAL22A, VAL22B, VAL26A, VAL26B, VAL40A, VAL40B, VAL48A, VAL48B, VAL75A, VAL75B, VAL7A, VAL7B, VAL8A, VAL8B
• A-C: ALA63C, ALA96A, ALA96C, ALA9A, ALA9C, ARG5A, ARG5C, ARG73A, ARG73C, ARG83A, ARG83C, ARG92C, ASN69A, ASN69C, ASN88A, ASN88C, ASP52A, ASP52C, ASP54A, ASP54C, ASP70A, ASP70C, ASP72A, ASP72C, ASP81A, ASP81C, ASP85A, ASP85C, GLU10A, GLU10C, GLU55A, GLU55C, GLU62A, GLU62C, GLU82A, GLU82C, HIS64A, HIS64C, ILE13A, ILE13C, ILE14A, ILE14C, ILE56A, ILE56C, ILE80A, ILE80C, LEU16A, LEU16C, LEU53A, LEU53C, LEU57A, LEU57C, LEU68A, LEU68C, LEU78A, LEU78C, LYS18C, LYS58A, LYS58C, LYS61A, LYS61C, LYS6A, LYS6C, LYS79A, LYS79C, LYS84A, LYS84C, LYS86A, LYS86C, LYS93A, LYS93C, PHE60A, PHE60C, PRO15C, SER12A, SER12C, SER65A, SER65C, SER76A, SER76C, SER77A, SER77C, THR66A, THR66C, THR89A, VAL11A, VAL11C, VAL67A, VAL67C, VAL71A, VAL71C, VAL74A, VAL74C, VAL75A, VAL75C, VAL7A, VAL7C, VAL8A, VAL8C
• A-D: ALA20A, ALA20D, ALA44A, ALA44D, ARG73A, ARG73D, ASP72A, ASP72D, GLY17A, GLY17D, GLY19A, GLY19D, ILE13A, ILE13D, ILE14A, ILE14D, LEU16A, LEU16D, LEU68A, LYS18A, LYS18D, LYS24D, LYS79A, LYS79D, MET45A, MET45D, PRO15A, PRO15D, SER12A, SER12D, SER21A, SER21D, SER23A, SER23D, SER76A, SER76D, SER77A, SER77D, TYR25D, VAL22A, VAL22D, VAL26A, VAL26D, VAL71A, VAL74A, VAL74D, VAL75A, VAL75D
• B-C: ALA20B, ALA20C, ALA44B, ALA44C, ARG73B, ARG73C, ASP72B, ASP72C, GLY17B, GLY17C, GLY19B, GLY19C, ILE13B, ILE13C, ILE14B, ILE14C, LEU16B, LEU16C, LEU68B, LYS18B, LYS18C, LYS79B, LYS79C, MET45B, MET45C, PRO15B, PRO15C, SER12B, SER12C, SER21B, SER21C, SER23B, SER23C, SER76B, SER76C, SER77B, SER77C, TYR25B, VAL22B, VAL22C, VAL26B, VAL26C, VAL71B, VAL71C, VAL74B, VAL74C, VAL75B, VAL75C
• B-D: ALA63D, ALA96B, ALA96D, ALA9B, ALA9D, ARG5B, ARG5D, ARG73B, ARG73D, ARG83B, ARG83D, ARG92B, ARG92D, ASN69B, ASN69D, ASN88B, ASN88D, ASP52B, ASP52D, ASP54B, ASP54D, ASP70B, ASP70D, ASP72B, ASP72D, ASP81B, ASP81D, ASP85B, ASP85D, GLU10B, GLU10D, GLU55B, GLU55D, GLU62B, GLU62D, GLU82B, GLU82D, GLU87B, GLU87D, HIS64B, HIS64D, ILE13B, ILE13D, ILE14B, ILE14D, ILE56B, ILE56D, ILE80B, ILE80D, ILE97D, LEU16B, LEU16D, LEU53B, LEU53D, LEU57B, LEU57D, LEU68B, LEU68D, LEU78B, LEU78D, LYS58B, LYS58D, LYS61B, LYS61D, LYS6B, LYS6D, LYS79B, LYS79D, LYS84B, LYS84D, LYS86B, LYS86D, LYS93B, LYS93D, MET4D, PHE60B, PHE60D, PRO15D, SER12B, SER12D, SER65B, SER65D, SER76B, SER76D, SER77B, SER77D, THR66B, THR66D, THR89B, THR89D, VAL11B, VAL11D, VAL67B, VAL67D, VAL71B, VAL71D, VAL74B, VAL74D, VAL75B, VAL75D, VAL7B, VAL7D, VAL8B, VAL8D
• B-F: ALA59F, ALA63F, ARG5B, ASP37B, ASP37F, ASP52B, ASP52F, ASP54B, ASP54F, GLU55B, GLU55F, GLU62F, HIS64F, ILE2B, ILE56B, ILE56F, LEU53B, LEU53F, LEU57F, LYS35F, LYS58B, LYS58F, LYS61F, LYS6B, MET1B, MET4B, MET4F, PHE3B, PHE60F, SER65F, THR66F, TYR36F, VAL32F
• B-H: ALA59H, ARG5B, ARG5H, ARG83B, ASN88B, ASP52H, ASP54B, ASP54H, GLU55H, GLU62H, GLU87B, ILE2B, ILE56H, LEU53H, LEU57H, LYS35H, LYS58H, LYS61H, LYS6B, LYS84B, LYS86B, MET1B, MET4B, PHE3B, PHE60H, TYR36H
• C-D: ALA20C, ALA20D, ALA29C, ALA29D, ALA44C, ALA44D, ALA96C, ALA96D, ALA9C, ALA9D, ARG83C, ARG83D, ARG92C, ARG92D, ASN43C, ASN43D, ASP81C, ASP81D, ASP85C, ASP85D, GLU10C, GLU10D, GLU31C, GLU31D, GLU41C, GLU41D, GLU50C, GLU50D, GLU82C, GLU82D, GLU91C, GLU91D, GLU99C, GLU99D, GLY19C, GLY19D, GLY46C, GLY46D, GLY98C, GLY98D, ILE13C, ILE13D, ILE14C, ILE14D, ILE30C, ILE30D, ILE80C, ILE80D, ILE90C, ILE90D, ILE97C, ILE97D, LEU100C, LEU100D, LEU49C, LEU49D, LEU78C, LEU78D, LEU94C, LEU94D, LYS18D, LYS24C, LYS24D, LYS27C, LYS27D, LYS28C, LYS28D, LYS34C, LYS34D, LYS79C, LYS79D, LYS84C, LYS84D, LYS86C, LYS86D, LYS93C, LYS93D, LYS95C, LYS95D, MET45C, MET45D, SER12C, SER12D, SER21C, SER21D, SER23C, SER23D, SER76C, SER77C, SER77D, THR42C, THR42D, THR47C, THR47D, THR89C, THR89D, TYR25C, TYR25D, VAL11C, VAL11D, VAL22C, VAL22D, VAL26C, VAL26D, VAL40C, VAL40D, VAL48C, VAL48D, VAL75C, VAL75D, VAL7C, VAL7D, VAL8C, VAL8D
• D-F: ARG5F, ASP52F, ASP54F, LYS58D, LYS58F, LYS61D, MET4F
• D-H: ASN69D, GLU62H, LYS35H, LYS61D, LYS61H
• E-F: ALA20E, ALA20F, ALA29E, ALA44E, ALA44F, ALA96E, ALA96F, ALA9E, ALA9F, ARG83E, ARG83F, ARG92E, ARG92F, ASN43E, ASN43F, ASN88F, ASP81E, ASP81F, ASP85E, ASP85F, GLU10E, GLU10F, GLU31E, GLU31F, GLU41E, GLU41F, GLU50E, GLU50F, GLU82E, GLU82F, GLU91E, GLU91F, GLU99E, GLU99F, GLY19E, GLY19F, GLY46E, GLY46F, GLY98E, GLY98F, ILE13E, ILE13F, ILE14E, ILE14F, ILE30E, ILE30F, ILE80E, ILE80F, ILE90E, ILE90F, ILE97E, ILE97F, LEU100F, LEU49E, LEU49F, LEU78E, LEU78F, LEU94E, LEU94F, LYS24E, LYS24F, LYS27E, LYS27F, LYS28E, LYS28F, LYS34E, LYS34F, LYS79E, LYS79F, LYS84E, LYS86E, LYS86F, LYS93E, LYS93F, LYS95E, LYS95F, MET45E, MET45F, SER12E, SER12F, SER21E, SER21F, SER23E, SER23F, SER76E, SER76F, SER77E, SER77F, THR42E, THR42F, THR47E, THR47F, THR89E, THR89F, TYR25E, TYR25F, VAL11E, VAL11F, VAL22E, VAL22F, VAL26E, VAL26F, VAL40E, VAL40F, VAL48E, VAL48F, VAL75E, VAL75F, VAL7E, VAL7F, VAL8E, VAL8F
• E-G: ALA63E, ALA96E, ALA96G, ALA9E, ALA9G, ARG5E, ARG5G, ARG73E, ARG73G, ARG83E, ARG83G, ARG92E, ARG92G, ASN69E, ASN69G, ASN88E, ASN88G, ASP52E, ASP52G, ASP54E, ASP54G, ASP70E, ASP70G, ASP72E, ASP72G, ASP81E, ASP81G, ASP85E, ASP85G, GLU10E, GLU10G, GLU55E, GLU55G, GLU62E, GLU62G, GLU82E, GLU82G, GLU87G, GLY17E, HIS64E, HIS64G, ILE13E, ILE13G, ILE14E, ILE14G, ILE56E, ILE56G, ILE80E, ILE80G, LEU16E, LEU16G, LEU53E, LEU53G, LEU57E, LEU57G, LEU68E, LEU68G, LEU78E, LEU78G, LYS18E, LYS58E, LYS58G, LYS61E, LYS61G, LYS6G, LYS79E, LYS79G, LYS84E, LYS84G, LYS86E, LYS86G, LYS93E, LYS93G, PHE60E, PHE60G, SER12E, SER12G, SER65E, SER65G, SER76E, SER76G, SER77E, SER77G, THR66E, THR66G, THR89G, VAL11E, VAL11G, VAL67E, VAL67G, VAL71E, VAL71G, VAL74E, VAL74G, VAL75E, VAL75G, VAL7E, VAL7G, VAL8E, VAL8G
• E-H: ALA20E, ALA20H, ALA44E, ALA44H, ARG73E, ARG73H, ASP72E, ASP72H, GLY17E, GLY17H, GLY19E, GLY19H, ILE13E, ILE14E, ILE14H, LEU16E, LEU16H, LEU68E, LYS18E, LYS18H, LYS79E, LYS79H, MET45E, MET45H, PRO15E, PRO15H, SER12E, SER12H, SER21E, SER21H, SER23E, SER23H, SER76E, SER76H, SER77E, SER77H, VAL22E, VAL22H, VAL26E, VAL26H, VAL71E, VAL74E, VAL74H, VAL75E, VAL75H
• F-G: ALA20F, ALA20G, ALA44F, ALA44G, ARG73F, ARG73G, ASP72F, ASP72G, GLY17F, GLY17G, GLY19F, GLY19G, ILE13G, ILE14F, ILE14G, LEU16F, LEU16G, LYS18F, LYS18G, LYS79F, LYS79G, MET45F, MET45G, PRO15F, PRO15G, SER12F, SER12G, SER21F, SER21G, SER23F, SER23G, SER76F, SER76G, SER77F, SER77G, TYR25F, TYR25G, VAL22F, VAL22G, VAL26F, VAL26G, VAL71F, VAL71G, VAL74F, VAL74G, VAL75F, VAL75G
• F-H: ALA63F, ALA63H, ALA96F, ALA96H, ALA9F, ALA9H, ARG5F, ARG5H, ARG73F, ARG73H, ARG83F, ARG83H, ARG92H, ASN69F, ASN69H, ASN88F, ASN88H, ASP52F, ASP52H, ASP54F, ASP54H, ASP70F, ASP70H, ASP72F, ASP72H, ASP81F, ASP81H, ASP85F, ASP85H, GLU10F, GLU10H, GLU55F, GLU55H, GLU62F, GLU62H, GLU82F, GLU82H, HIS64F, HIS64H, ILE13F, ILE13H, ILE14F, ILE14H, ILE56F, ILE56H, ILE80F, ILE80H, LEU16F, LEU16H, LEU53F, LEU53H, LEU57F, LEU57H, LEU68F, LEU68H, LEU78F, LEU78H, LYS18F, LYS58F, LYS58H, LYS61F, LYS61H, LYS6F, LYS6H, LYS79F, LYS79H, LYS84F, LYS84H, LYS86F, LYS86H, LYS93F, LYS93H, PHE60F, PHE60H, PRO15F, PRO15H, SER12F, SER12H, SER65F, SER65H, SER76F, SER76H, SER77F, SER77H, THR66F, THR66H, THR89F, VAL11F, VAL11H, VAL67F, VAL67H, VAL71F, VAL71H, VAL74F, VAL74H, VAL75F, VAL75H, VAL7F, VAL7H, VAL8F, VAL8H
• G-H: ALA20G, ALA20H, ALA29H, ALA44G, ALA44H, ALA96G, ALA96H, ALA9G, ALA9H, ARG83G, ARG83H, ARG92G, ARG92H, ASN43G, ASN43H, ASP81G, ASP81H, ASP85G, ASP85H, GLU10G, GLU10H, GLU31G, GLU31H, GLU41G, GLU41H, GLU50G, GLU50H, GLU82G, GLU82H, GLU91G, GLU91H, GLU99G, GLU99H, GLY19G, GLY19H, GLY46G, GLY46H, GLY98G, GLY98H, ILE13G, ILE14G, ILE14H, ILE30G, ILE30H, ILE80G, ILE80H, ILE90G, ILE90H, ILE97G, ILE97H, LEU49G, LEU49H, LEU78G, LEU78H, LEU94G, LEU94H, LYS24G, LYS24H, LYS27G, LYS27H, LYS28G, LYS28H, LYS34G, LYS39G, LYS39H, LYS79G, LYS79H, LYS84G, LYS84H, LYS86G, LYS86H, LYS93G, LYS93H, LYS95G, LYS95H, MET45G, MET45H, SER12G, SER12H, SER21G, SER21H, SER23G, SER23H, SER76G, SER76H, SER77G, SER77H, THR42G, THR42H, THR47G, THR47H, THR89G, THR89H, TYR25G, TYR25H, VAL11G, VAL11H, VAL22G, VAL22H, VAL26G, VAL26H, VAL40G, VAL40H, VAL48G, VAL48H, VAL75G, VAL75H, VAL7G, VAL7H, VAL8G, VAL8H