1OSC

crystal structure of rat cuta1 at 2.15 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 111
  • Norm. En. per Res.: -4.1188
• 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	-78.3998	-50.341	-310.951	-439.6918	108	17	19	13611	3	23	11
A-C	-95.4898	-37.4665	-315.237	-448.1933	109	27	18	14044	2	25	12
A-D	0.0	0.0	-25.886	-25.886	38	2	1	1522	0	0	2
A-E	0.0	34.2084	-40.2343	-6.0259	22	0	0	1388	0	0	1
B-C	-84.5129	-53.1428	-304.892	-442.5476	111	15	20	13327	5	25	13
B-E	0.0	0.0	-24.239	-24.239	36	2	0	1426	0	0	2
B-F	0.0	31.668	-38.334	-6.666	21	0	0	1372	0	0	1
C-D	0.0	32.9536	-36.5123	-3.5587	21	0	0	1382	0	0	1
C-F	0.0	0.0	-23.0625	-23.0625	38	1	0	1401	0	0	2
D-E	-89.7773	-40.3551	-310.752	-440.8845	111	19	18	13518	3	25	13
D-F	-81.2053	-43.1966	-295.581	-419.9829	110	23	19	13593	3	22	14
E-F	-81.8125	-59.2961	-316.081	-457.1895	111	19	18	13808	4	24	15

Interface residues

• A-B: ALA13A, ALA13B, ALA14A, ALA14B, ALA24A, ALA28A, ALA30A, ALA37A, ALA38A, ALA75B, ALA89B, ALA93A, ALA93B, ARG29A, ARG35A, ARG81B, ASN100A, ASN41A, ASP59B, CYS39A, GLN45A, GLN45B, GLN69B, GLN98A, GLU21A, GLU26A, GLU33A, GLU51B, GLU57B, GLU58B, GLU61B, GLU78B, GLU87B, GLU90B, GLU97A, GLU97B, GLY54B, GLY99A, GLY9A, GLY9B, HIS105A, ILE27A, ILE43A, ILE43B, ILE46A, ILE46B, ILE49B, ILE56B, ILE66A, ILE92B, LEU104A, LEU42A, LEU63A, LEU63B, LEU72B, LEU76B, LEU94A, LEU94B, LYS25A, LYS34A, LYS53B, LYS55B, LYS67A, MET64A, MET64B, MET65A, MET65B, PHE15A, PHE15B, PRO101A, PRO102A, PRO44A, PRO44B, PRO74B, PRO8A, PRO95A, PRO95B, SER12A, SER12B, SER48B, SER70B, SER71B, THR17B, THR47B, THR68A, THR68B, THR77B, TRP106A, TRP52B, TYR103A, TYR50B, TYR6A, TYR86B, VAL107A, VAL110A, VAL11A, VAL16B, VAL31A, VAL32A, VAL40A, VAL62A, VAL62B, VAL73B, VAL80B, VAL88B, VAL91B, VAL96A, VAL96B
• A-C: ALA13A, ALA13C, ALA14A, ALA14C, ALA24C, ALA28C, ALA30C, ALA37C, ALA38C, ALA75A, ALA89A, ALA93A, ALA93C, ARG29C, ARG35C, ARG81A, ASN100C, ASN41C, ASP59A, CYS39C, GLN45A, GLN45C, GLN69A, GLN98C, GLU21C, GLU26C, GLU33C, GLU51A, GLU57A, GLU58A, GLU61A, GLU78A, GLU87A, GLU90A, GLU97A, GLU97C, GLY54A, GLY99C, GLY9A, GLY9C, HIS105C, ILE27C, ILE43A, ILE43C, ILE46A, ILE46C, ILE49A, ILE56A, ILE66C, ILE92A, LEU104C, LEU42C, LEU63A, LEU63C, LEU72A, LEU76A, LEU94A, LEU94C, LYS25C, LYS34C, LYS53A, LYS55A, LYS67C, MET64A, MET64C, MET65A, MET65C, PHE15A, PHE15C, PRO101C, PRO102C, PRO44A, PRO44C, PRO74A, PRO8C, PRO95A, PRO95C, SER12A, SER12C, SER48A, SER70A, SER71A, SER82A, THR111C, THR17A, THR47A, THR68A, THR68C, THR77A, TRP106C, TRP52A, TYR103C, TYR50A, TYR6C, VAL107C, VAL110C, VAL11C, VAL16A, VAL31C, VAL32C, VAL40C, VAL62A, VAL62C, VAL73A, VAL80A, VAL88A, VAL91A, VAL96A, VAL96C
• A-D: ALA75A, ALA75D, ALA93A, ALA93D, GLN69A, GLN69D, GLU112D, GLU97A, GLU97D, GLY5D, GLY9A, GLY9D, HIS108A, HIS108D, LEU72A, LEU72D, PRO74A, PRO74D, PRO8A, PRO8D, PRO95A, PRO95D, SER10A, SER10D, SER113A, SER12A, SER12D, SER4D, SER70A, SER70D, SER71A, SER71D, TYR6A, TYR6D, VAL73A, VAL73D, VAL7A, VAL7D
• A-E: GLN98A, GLN98E, GLU97A, GLU97E, GLY5E, GLY99A, GLY99E, GLY9A, GLY9E, PRO8A, PRO8E, PRO95A, PRO95E, SER10A, SER10E, SER4E, TYR6A, TYR6E, VAL7A, VAL7E, VAL96A, VAL96E
• B-C: ALA13B, ALA13C, ALA14B, ALA14C, ALA24B, ALA28B, ALA30B, ALA37B, ALA38B, ALA75C, ALA89C, ALA93B, ALA93C, ARG29B, ARG35B, ARG81C, ASN100B, ASN41B, ASP59C, CYS39B, GLN109B, GLN45B, GLN45C, GLN69C, GLN98B, GLU21B, GLU26B, GLU33B, GLU51C, GLU57C, GLU58C, GLU61C, GLU78C, GLU87C, GLU90C, GLU97B, GLU97C, GLY54C, GLY99B, GLY9B, GLY9C, HIS105B, HIS84C, ILE27B, ILE43B, ILE43C, ILE46B, ILE46C, ILE49C, ILE56C, ILE66B, ILE92B, ILE92C, LEU104B, LEU42B, LEU63B, LEU63C, LEU72C, LEU76C, LEU94B, LEU94C, LYS25B, LYS34B, LYS53C, LYS55C, LYS67B, MET64B, MET64C, MET65B, MET65C, PHE15B, PHE15C, PRO101B, PRO102B, PRO44B, PRO44C, PRO74C, PRO8B, PRO95B, PRO95C, SER12B, SER12C, SER48C, SER70C, SER71C, THR17C, THR47C, THR68B, THR68C, THR77C, TRP106B, TRP52C, TYR103B, TYR50C, TYR6B, TYR86C, VAL107B, VAL110B, VAL11B, VAL16C, VAL31B, VAL32B, VAL40B, VAL62B, VAL62C, VAL73C, VAL80C, VAL88C, VAL91C, VAL96B, VAL96C
• B-E: ALA75B, ALA75E, ALA93B, ALA93E, GLN69B, GLN69E, GLU97B, GLU97E, GLY5E, GLY9B, GLY9E, HIS108B, HIS108E, LEU72B, LEU72E, PRO74B, PRO74E, PRO8B, PRO8E, PRO95B, PRO95E, SER10B, SER10E, SER12B, SER12E, SER4E, SER70B, SER70E, SER71B, SER71E, TYR6B, TYR6E, VAL73B, VAL73E, VAL7B, VAL7E
• B-F: GLN98B, GLN98F, GLU97B, GLU97F, GLY5F, GLY99B, GLY99F, GLY9B, GLY9F, PRO8B, PRO8F, PRO95B, PRO95F, SER10B, SER10F, TYR6B, TYR6F, VAL7B, VAL7F, VAL96B, VAL96F
• C-D: GLN98C, GLN98D, GLU97C, GLU97D, GLY5D, GLY99C, GLY99D, GLY9C, GLY9D, PRO8C, PRO8D, PRO95C, PRO95D, SER10C, SER10D, TYR6C, TYR6D, VAL7C, VAL7D, VAL96C, VAL96D
• C-F: ALA75C, ALA75F, ALA93C, ALA93F, GLN69C, GLN69F, GLU112F, GLU97C, GLU97F, GLY5F, GLY9C, GLY9F, HIS108C, HIS108F, LEU72C, LEU72F, PRO74C, PRO74F, PRO8C, PRO8F, PRO95C, PRO95F, SER10C, SER10F, SER113C, SER12C, SER12F, SER4F, SER70C, SER70F, SER71C, SER71F, TYR6C, TYR6F, VAL73C, VAL73F, VAL7C, VAL7F
• D-E: ALA13D, ALA13E, ALA14D, ALA14E, ALA24E, ALA28E, ALA30E, ALA37E, ALA38E, ALA75D, ALA89D, ALA93D, ALA93E, ARG29E, ARG35E, ARG81D, ASN100E, ASN41E, ASP59D, CYS39E, GLN109E, GLN45D, GLN45E, GLN69D, GLN98E, GLU21E, GLU26E, GLU33E, GLU51D, GLU57D, GLU58D, GLU61D, GLU78D, GLU87D, GLU90D, GLU97D, GLU97E, GLY3E, GLY54D, GLY99E, GLY9D, GLY9E, HIS105E, HIS84D, ILE27E, ILE43D, ILE43E, ILE46D, ILE46E, ILE49D, ILE56D, ILE66E, ILE92D, LEU104E, LEU42E, LEU63D, LEU63E, LEU72D, LEU76D, LEU94D, LEU94E, LYS25E, LYS34E, LYS55D, LYS67E, MET64D, MET64E, MET65D, MET65E, PHE15D, PHE15E, PRO101E, PRO102E, PRO44D, PRO44E, PRO74D, PRO8E, PRO95D, PRO95E, SER12D, SER12E, SER48D, SER60D, SER70D, SER71D, THR17D, THR47D, THR68D, THR68E, THR77D, TRP106E, TRP52D, TYR103E, TYR50D, TYR6E, TYR86D, VAL107E, VAL110E, VAL11E, VAL16D, VAL31E, VAL32E, VAL40E, VAL62D, VAL62E, VAL73D, VAL80D, VAL88D, VAL91D, VAL96D, VAL96E
• D-F: ALA13D, ALA13F, ALA14D, ALA14F, ALA24D, ALA28D, ALA30D, ALA37D, ALA38D, ALA75F, ALA89F, ALA93D, ALA93F, ARG29D, ARG35D, ARG81F, ASN100D, ASN41D, ASP59F, CYS39D, GLN109D, GLN45D, GLN45F, GLN69F, GLN98D, GLU21D, GLU26D, GLU33D, GLU51F, GLU57F, GLU58F, GLU61F, GLU78F, GLU90F, GLU97D, GLU97F, GLY54F, GLY99D, GLY9D, GLY9F, HIS105D, ILE27D, ILE43D, ILE43F, ILE46D, ILE46F, ILE49F, ILE56F, ILE66D, ILE92F, LEU104D, LEU36D, LEU42D, LEU63D, LEU63F, LEU72F, LEU76F, LEU94D, LEU94F, LYS25D, LYS34D, LYS53F, LYS55F, LYS67D, MET64D, MET64F, MET65D, MET65F, PHE15D, PHE15F, PRO101D, PRO102D, PRO44D, PRO44F, PRO74F, PRO8D, PRO95D, PRO95F, SER12D, SER12F, SER48F, SER4D, SER70F, SER71F, THR111D, THR17F, THR47F, THR68D, THR68F, THR77F, TRP106D, TRP52F, TYR103D, TYR50F, TYR6D, VAL107D, VAL110D, VAL11D, VAL16F, VAL31D, VAL32D, VAL40D, VAL62D, VAL62F, VAL73F, VAL80F, VAL88F, VAL91F, VAL96D, VAL96F
• E-F: ALA13E, ALA13F, ALA14E, ALA14F, ALA24F, ALA28F, ALA30F, ALA37F, ALA38F, ALA75E, ALA89E, ALA93E, ALA93F, ARG29F, ARG35F, ARG81E, ASN100F, ASN41F, ASP59E, CYS18E, CYS39F, GLN109F, GLN45E, GLN45F, GLN69E, GLN98F, GLU21F, GLU26F, GLU33F, GLU51E, GLU57E, GLU58E, GLU61E, GLU78E, GLU90E, GLU97E, GLU97F, GLY3F, GLY54E, GLY99F, GLY9E, GLY9F, HIS105F, HIS84E, ILE27F, ILE43E, ILE43F, ILE46E, ILE46F, ILE49E, ILE56E, ILE66F, ILE92E, LEU104F, LEU42F, LEU63E, LEU63F, LEU72E, LEU76E, LEU94E, LEU94F, LYS25F, LYS34F, LYS53E, LYS55E, LYS67F, MET64E, MET64F, MET65E, MET65F, PHE15E, PHE15F, PRO101F, PRO102F, PRO44E, PRO44F, PRO74E, PRO8F, PRO95E, PRO95F, SER12E, SER12F, SER48E, SER60E, SER70E, SER71E, THR17E, THR47E, THR68E, THR68F, THR77E, TRP106F, TRP52E, TYR103F, TYR50E, TYR6F, VAL107F, VAL110F, VAL11F, VAL16E, VAL31F, VAL32F, VAL40F, VAL62E, VAL62F, VAL73E, VAL80E, VAL88E, VAL91E, VAL96E, VAL96F