3N2J

azurin h117g, oxidized form

• Total interactions analyzed: 66
• Total true interactions: 29
• Strongest Interaction:
  • Chains: J-L
  • Int. Res.: 44
  • Norm. En. per Res.: -1.97
• Hub Node: A(7)

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-C	-12.928	0.0	-25.9597	-38.8877	30	1	0	1377	0	2	2
A-D	0.0	-21.7937	-61.0608	-82.8545	44	2	0	2765	1	31	27
A-E	0.0	0.0	-0.0051	-0.0051	3	0	0	7	0	0	0
A-F	-5.9394	0.0	-61.5408	-67.4802	44	1	2	3073	0	1	1
A-G	0.0	2.5314	-11.0481	-8.5167	19	0	0	686	0	12	10
A-J	-11.4905	10.8803	-21.938	-22.5483	25	1	0	1011	0	17	18
A-L	-2.7049	4.8778	-9.6541	-7.4812	25	0	0	686	1	6	9
B-C	-14.2436	0.0	-16.5585	-30.8021	28	3	0	1303	0	2	2
B-E	-9.1512	11.473	-29.0022	-26.6804	28	3	0	1186	0	17	18
B-G	-4.9411	5.439	-11.528	-11.0301	26	0	0	854	1	6	10
C-F	-16.1288	5.2143	-55.1152	-66.0297	40	6	0	2660	0	18	16
C-G	0.0	0.0	-4.9241	-4.9241	21	0	0	485	0	0	0
D-E	-2.8569	3.3076	-31.8394	-31.3887	34	4	0	1715	0	13	16
D-G	-5.8102	8.7051	-23.9549	-21.06	23	1	0	1216	0	17	18
D-H	-3.854	0.0	-28.0264	-31.8804	30	3	0	1438	0	2	2
D-I	0.0	0.0	-14.5947	-14.5947	24	0	0	908	0	2	1
D-J	0.0	0.0	-0.0098	-0.0098	2	0	0	6	0	1	4
D-K	0.0	0.0	-6.0815	-6.0815	23	0	0	617	0	0	0
D-L	0.0	0.0	-0.0097	-0.0097	5	0	0	11	0	0	1
E-G	-4.595	-15.4821	-56.9814	-77.0585	46	1	0	2802	1	27	26
E-I	0.0	0.0	-65.7112	-65.7112	50	5	2	3456	0	1	1
E-K	-10.8368	2.4693	-51.9959	-60.3635	36	3	2	2253	0	2	4
F-G	0.0	0.0	-20.2287	-20.2287	28	0	0	1058	0	2	2
F-L	-4.8616	3.6404	-50.867	-52.0882	33	6	2	2166	0	2	4
H-J	0.0	0.0	-64.3006	-64.3006	46	1	2	3189	0	1	1
H-K	0.0	7.3367	-7.5694	-0.2327	26	0	0	715	1	6	7
I-K	0.0	3.0749	-10.6387	-7.5638	15	0	0	670	0	13	10
J-K	0.0	0.0	-20.2632	-20.2632	29	1	0	1084	0	2	2
J-L	-7.9272	-15.8905	-62.8628	-86.6804	44	2	0	2873	0	30	27

Interface residues

• A-C: ALA53C, ALA54C, ASN10A, ASN38A, ASP11A, ASP55C, GLN107C, GLN12A, GLN14A, GLN57C, GLN8A, GLY123C, GLY37A, GLY58C, GLY90A, LEU120C, LEU39A, LYS122C, MET109C, MET13A, MET44A, MET56C, PHE111C, PRO36A, SER89A, THR124C, THR52C, THR61C, VAL59C, VAL60C
• A-D: ALA1D, ALA82A, ASN47A, ASP23D, ASP69A, ASP71A, ASP76A, ASP77A, ASP93A, ASP98D, CYS26D, CYS3D, GLN28D, GLU2D, GLY67A, HIS83A, ILE81A, LEU127D, LEU68A, LEU73A, LEU86A, LYS101A, LYS128D, LYS24D, LYS27D, LYS41A, LYS70A, LYS85A, LYS92A, PRO75A, SER100D, SER25D, SER4D, SER78A, SER94A, THR30D, THR84A, THR96A, THR96D, TRP48A, TYR72A, VAL80A, VAL95A, VAL99D
• A-E: GLN28A, LYS92E, THR96A
• A-F: ALA65A, ALA65F, ASN38A, ASN42A, ASN42F, ASP11A, ASP62F, ASP69A, ASP69F, GLY116A, GLY116F, GLY117A, GLY117F, GLY45F, GLY63F, GLY67A, GLY67F, LEU39A, LEU68A, LEU68F, LYS41A, LYS41F, LYS70F, MET13A, MET13F, MET44A, MET44F, MET64A, MET64F, PHE114A, PHE114F, PRO115A, PRO115F, PRO40A, PRO40F, SER118A, SER118F, SER66A, SER66F, THR61F, TYR72A, TYR72F, VAL43A, VAL43F
• A-G: ASN38A, GLN107G, GLU104G, GLU106G, GLU91A, GLY105G, GLY88A, GLY90A, ILE87A, LEU127G, LYS103G, LYS128G, LYS24G, LYS41A, LYS85A, LYS92A, PRO40A, SER89A, THR126G
• A-J: ASP98A, ASP98J, GLN107A, GLU104A, GLU104J, GLU106A, GLY105A, ILE81J, LEU102A, LEU102J, LYS101A, LYS101J, LYS103A, LYS103J, LYS24A, LYS24J, LYS27A, LYS27J, SER100A, SER100J, THR52A, TYR108A, TYR108J, VAL99A, VAL99J
• A-L: ALA1L, ALA65A, ARG79A, ASN10L, ASN16L, ASN32L, ASP55A, ASP62A, ASP6L, ASP76A, ASP77A, GLN8L, GLU2L, ILE7L, LYS70A, LYS74A, LYS92L, PRO36L, PRO75A, SER34L, SER4L, SER66A, SER78A, THR61A, VAL5L
• B-C: ALA53B, ALA54B, ASN10C, ASN38C, ASP11C, ASP55B, GLN107B, GLN12C, GLN57B, GLN8C, GLY123B, GLY37C, GLY58B, GLY90C, GLY9C, HIS35C, LEU120B, LEU39C, LYS122B, MET109B, MET44C, MET56B, PRO36C, SER89C, THR124B, THR52B, THR61B, VAL59B
• B-E: ASP98B, ASP98E, GLN107B, GLU104B, GLU104E, GLU106B, GLU106E, GLY105B, ILE81E, LEU102B, LEU102E, LEU127B, LYS101B, LYS101E, LYS103B, LYS103E, LYS24B, LYS24E, LYS27B, LYS27E, SER100B, SER100E, SER78B, SER78E, TYR108B, TYR108E, VAL99B, VAL99E
• B-G: ALA1G, ALA65B, ARG79B, ASN10G, ASN16G, ASN32G, ASP55B, ASP62B, ASP6G, ASP76B, ASP77B, GLN8G, GLU2G, GLY58B, ILE7G, LYS70B, LYS74B, LYS92G, PRO36G, PRO75B, SER34G, SER66B, SER78B, THR17G, THR61B, VAL5G
• C-F: ALA19C, ALA53C, ALA54C, ASN38F, ASN42F, ASP69F, GLN107C, GLU104C, GLU106C, GLU91F, GLY105C, GLY37F, GLY45F, GLY88F, GLY90F, HIS35F, ILE87F, LEU125C, LEU127C, LEU39F, LEU68F, LEU86F, LYS103C, LYS128C, LYS24C, LYS41F, LYS85F, LYS92F, MET109C, MET44F, PHE114F, PRO36F, PRO40F, SER89F, THR124C, THR126C, THR21C, THR52C, TYR108C, VAL43F
• C-G: ALA119C, ALA19C, ALA19G, ASN10C, ASN16C, ASN18C, ASN18G, GLN107G, GLN14C, GLY123G, ILE20G, LYS122C, LYS122G, LYS128G, MET109G, PHE15C, SER118C, THR124G, THR17C, THR17G, THR21G
• D-E: ALA53D, ALA54D, ASN38E, ASN42E, ASP93E, GLN107D, GLU104D, GLU106D, GLU91E, GLY105D, GLY37E, GLY45E, GLY88E, GLY90E, ILE87E, LEU127D, LEU39E, LEU68E, LEU86E, LYS103D, LYS128D, LYS24D, LYS41E, LYS85E, LYS92E, MET109D, MET44E, MET56D, PRO40E, SER89E, THR124D, THR126D, TYR108D, VAL43E
• D-G: ASP98G, GLN107D, GLU104D, GLU104G, GLU106D, GLU106G, GLY105D, LEU102D, LEU102G, LEU127D, LYS101D, LYS101G, LYS103D, LYS103G, LYS24D, LYS24G, LYS27G, SER100D, SER100G, THR52D, TYR108D, VAL99D, VAL99G
• D-H: ALA53H, ALA54H, ARG79H, ASN10D, ASN38D, ASP11D, ASP55H, GLN107H, GLN12D, GLN14D, GLN57H, GLN8D, GLY123H, GLY37D, GLY58H, GLY90D, GLY9D, HIS35D, LEU120H, LEU39D, LYS122H, MET109H, MET44D, MET56H, PRO36D, SER89D, THR124H, THR52H, THR61H, VAL59H
• D-I: ALA53D, ALA54D, ARG79D, ASN10I, ASN38I, ASP11I, ASP55D, GLN107D, GLN12I, GLN57D, GLN8I, GLY37I, GLY58D, HIS35I, LEU120D, LEU39I, LYS122D, MET109D, MET56D, PRO36I, SER89I, THR52D, THR61D, VAL59D
• D-J: ALA1D, SER78J
• D-K: ALA119D, ALA19D, ALA19K, ASN10D, ASN16D, ASN18D, ASN18K, GLN107K, GLN14D, GLY123K, ILE20K, LEU120D, LYS122D, LYS122K, LYS128K, MET109K, PHE15D, SER118D, THR124K, THR126K, THR17D, THR17K, THR21K
• D-L: ASN32D, LYS92L, SER94D, THR30D, THR96D
• E-G: ALA1G, ALA82E, ASN32G, ASP23G, ASP69E, ASP71E, ASP76E, ASP77E, ASP93E, ASP98G, CYS26G, CYS3G, GLN28G, GLU2G, GLY67E, HIS83E, ILE81E, LEU127G, LEU68E, LEU73E, LEU86E, LYS101E, LYS24G, LYS27G, LYS41E, LYS70E, LYS85E, LYS92E, PHE29G, PHE97E, PRO75E, SER100G, SER25G, SER4G, SER66E, SER78E, SER94E, THR30G, THR84E, THR96E, THR96G, TRP48E, TYR72E, VAL80E, VAL95E, VAL99G
• E-I: ALA119E, ALA65E, ALA65I, ASN38I, ASN42E, ASN42I, ASP11I, ASP62E, ASP69E, ASP69I, GLN57E, GLY116E, GLY116I, GLY117E, GLY117I, GLY45E, GLY45I, GLY63E, GLY67E, GLY67I, LEU39E, LEU39I, LEU68E, LEU68I, LEU86E, LYS41E, LYS41I, LYS70E, MET13E, MET13I, MET44E, MET44I, MET64E, MET64I, PHE114E, PHE114I, PRO115E, PRO115I, PRO40E, PRO40I, SER118E, SER118I, SER66E, SER66I, SER89I, THR61E, TYR72E, TYR72I, VAL43E, VAL43I
• E-K: ALA53K, ALA54K, ARG79K, ASN10E, ASN38E, ASP11E, ASP55K, ASP62K, ASP77K, GLN107K, GLN12E, GLN14E, GLN57K, GLN8E, GLY37E, GLY58K, GLY9E, HIS35E, HIS46E, LEU120K, LEU39E, LYS122K, LYS74K, MET109K, MET13E, MET44E, MET56K, PRO36E, PRO40E, SER118E, SER78K, THR52K, THR61K, VAL43E, VAL59K, VAL60K
• F-G: ALA53G, ALA54G, ARG79G, ASN10F, ASN38F, ASP11F, ASP55G, ASP62G, GLN12F, GLN14F, GLN57G, GLY116F, GLY117F, GLY37F, GLY58G, LEU120G, LEU39F, LYS122G, MET109G, MET13F, MET44F, MET56G, PRO36F, SER118F, THR61G, VAL43F, VAL59G, VAL60G
• F-L: ALA53F, ALA54F, ARG79F, ASN10L, ASN38L, ASP11L, ASP55F, ASP62F, GLN107F, GLN12L, GLN14L, GLN57F, GLN8L, GLY37L, GLY58F, GLY9L, HIS35L, HIS46L, LEU120F, LEU39L, LYS122F, LYS74F, MET109F, MET13L, MET44L, MET56F, PRO36L, PRO40L, THR52F, THR61F, VAL43L, VAL59F, VAL60F
• H-J: ALA65H, ALA65J, ASN38H, ASN42H, ASN42J, ASP11H, ASP62J, ASP69H, ASP69J, GLN57J, GLY116H, GLY116J, GLY117H, GLY117J, GLY45J, GLY63J, GLY67H, GLY67J, LEU39H, LEU68H, LEU68J, LEU86J, LYS41H, LYS41J, LYS70J, MET13H, MET13J, MET44H, MET44J, MET64H, MET64J, PHE114H, PHE114J, PRO115H, PRO115J, PRO40H, PRO40J, SER118H, SER118J, SER66H, SER66J, THR61J, TYR72H, TYR72J, VAL43H, VAL43J
• H-K: ALA1K, ALA65H, ARG79H, ASN10K, ASN16K, ASN32K, ASP55H, ASP62H, ASP6K, ASP76H, ASP77H, GLN12K, GLN8K, GLY58H, ILE7K, LYS70H, LYS74H, LYS92K, PRO36K, PRO75H, SER34K, SER66H, SER78H, THR17K, THR61H, VAL5K
• I-K: ASN38I, GLN107K, GLU104K, GLU106K, GLU91I, GLY105K, GLY88I, GLY90I, LYS103K, LYS24K, LYS41I, LYS85I, LYS92I, PRO40I, SER89I
• J-K: ALA53J, ALA54J, ARG79J, ASN10K, ASN38K, ASP11K, ASP55J, ASP62J, GLN107J, GLN12K, GLN14K, GLN57J, GLY116K, GLY37K, GLY58J, HIS35K, LEU120J, LEU39K, LYS122J, MET109J, MET13K, MET44K, MET56J, PRO36K, SER118K, THR61J, VAL43K, VAL59J, VAL60J
• J-L: ALA1L, ALA82J, ASP23L, ASP69J, ASP71J, ASP76J, ASP77J, ASP93J, ASP98L, CYS26L, CYS3L, GLN28L, GLU104L, GLU2L, GLY67J, HIS83J, ILE81J, LEU127L, LEU68J, LEU73J, LEU86J, LYS101J, LYS128L, LYS24L, LYS27L, LYS41J, LYS70J, LYS85J, LYS92J, PHE97J, PRO75J, SER100L, SER25L, SER4L, SER66J, SER94J, THR30L, THR84J, THR96J, THR96L, TYR72J, VAL80J, VAL95J, VAL99L