3A8J

crystal structure of et-ehred complex

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 67
  • Norm. En. per Res.: -3.6291
• Hub Node: A(3)

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	-13.6278	-6.5704	-30.4916	-50.6899	30	1	0	1201	2	10	7
A-C	-60.3534	7.2812	-272.949	-326.0211	94	8	2	9233	4	43	48
A-E	-43.2752	-43.3319	-120.033	-206.6402	62	5	2	4900	3	23	9
B-D	-58.958	9.9883	-265.259	-314.2287	94	8	2	9246	3	44	49
B-E	-15.0632	-47.8263	-65.1925	-128.082	50	2	3	2649	3	25	9
B-F	-37.5714	-80.4395	-125.141	-243.1518	67	7	4	5162	6	30	10

Interface residues

• A-B: ALA153B, ALA156B, ALA363A, ARG164B, ARG344A, ASN358B, ASP161B, GLN152B, GLN165B, GLU168B, GLU287A, GLU335A, GLU345A, GLY169B, GLY321A, ILE338A, LYS171B, LYS288A, LYS349A, MET170B, MET285A, PHE316A, PRO149B, PRO172B, PRO347A, THR286A, THR336A, TYR322A, VAL167B, VAL284A
• A-C: ALA128A, ALA128C, ALA1C, ARG109C, ARG117A, ARG117C, ARG138A, ARG138C, ARG57A, ARG57C, ARG60A, ARG60C, ASN200A, ASN200C, ASP139A, ASP139C, ASP140A, ASP140C, ASP55A, ASP55C, GLN126A, GLN126C, GLN2A, GLN2C, GLN3A, GLN3C, GLU118A, GLU118C, GLU129A, GLU129C, GLU134A, GLU134C, GLU201A, GLU201C, GLY132A, GLY132C, GLY22A, GLY58A, GLY58C, HIS127A, HIS127C, HIS21A, HIS50A, HIS50C, ILE124A, ILE124C, ILE133A, ILE133C, ILE135A, ILE135C, ILE53A, ILE53C, LEU121A, LEU121C, LEU141A, LEU141C, LEU56A, LEU56C, LYS119A, LYS119C, MET51A, MET51C, PHE131A, PHE131C, PRO130A, PRO130C, PRO5A, PRO5C, SER114A, SER114C, SER122A, SER122C, SER142C, SER49A, SER49C, SER59A, SER59C, THR125A, THR125C, THR136A, THR136C, THR4A, THR4C, THR52A, THR52C, TRP123A, TRP123C, TRP23A, TRP23C, TYR67C, VAL137A, VAL137C, VAL54A, VAL54C
• A-E: ALA15A, ALA222A, ALA60E, ALA65E, ALA66E, ARG16A, ARG292A, ARG342A, ASN92E, ASP224A, ASP34A, ASP38E, ASP43E, ASP68E, GLN32A, GLN33E, GLU287A, GLU30E, GLU34E, GLU35A, GLU61E, GLU89E, GLY14A, GLY221A, GLY289A, GLY30A, GLY314A, GLY321A, GLY37E, HIS28A, HIS36A, ILE33A, ILE341A, LEU228A, LEU27A, LEU291A, LEU35E, LEU36E, LEU44E, LEU84E, LYS288A, MET285A, MET39E, PHE316A, PHE41E, PRO318A, PRO88E, SER317A, SER31A, SER323A, SER62E, SER67E, SER85E, THR225A, THR286A, THR315A, TYR322A, VAL290A, VAL40E, VAL42E, VAL59E, VAL63E
• B-D: ALA128B, ALA128D, ALA1D, ARG109B, ARG109D, ARG117B, ARG117D, ARG138B, ARG138D, ARG57B, ARG57D, ARG60B, ARG60D, ASN200B, ASN200D, ASP139B, ASP139D, ASP140B, ASP140D, ASP55B, ASP55D, GLN126B, GLN126D, GLN2B, GLN2D, GLN3B, GLN3D, GLU118B, GLU118D, GLU129B, GLU129D, GLU134B, GLU134D, GLU201B, GLU201D, GLY132B, GLY132D, GLY22B, GLY58B, GLY58D, HIS127B, HIS127D, HIS21B, HIS50B, HIS50D, ILE124B, ILE124D, ILE133B, ILE133D, ILE135B, ILE135D, ILE53B, ILE53D, LEU121B, LEU121D, LEU141B, LEU141D, LEU56B, LEU56D, LYS119B, LYS119D, MET51B, MET51D, PHE131B, PHE131D, PRO130B, PRO130D, PRO5B, PRO5D, SER114B, SER114D, SER122B, SER122D, SER49B, SER49D, SER59B, SER59D, THR125B, THR125D, THR136B, THR136D, THR4B, THR4D, THR52B, THR52D, TRP123B, TRP123D, TRP23B, TRP23D, TYR67D, VAL137B, VAL137D, VAL54B, VAL54D
• B-E: ALA361B, ALA363B, ALA49E, ALA79E, ALA83E, ARG357B, ASN249B, ASN358B, ASP82E, ASP86E, GLU335B, GLU46E, GLU76E, GLY169B, GLY190B, GLY359B, GLY48E, ILE77E, LEU44E, LEU84E, LYS105E, LYS171B, LYS279B, LYS349B, LYS352B, LYS360B, LYS75B, LYS78B, LYS81B, PHE174B, PHE355B, PHE41E, PRO172B, PRO353B, PRO45E, PRO88E, SER85E, SER87E, THR351B, THR50E, THR77B, TRP252B, VAL354B, VAL356B, VAL362B, VAL40E, VAL42E, VAL47E, VAL51E, VAL78E
• B-F: ALA222B, ALA58F, ALA60F, ALA65F, ALA66F, ALA83F, ARG16B, ARG292B, ARG342B, ARG344B, ASN92F, ASP224B, ASP34B, ASP38F, ASP43F, ASP56F, ASP68F, ASP82F, ASP86F, GLN32B, GLN33F, GLU287B, GLU30F, GLU34F, GLU35B, GLU61F, GLU89F, GLY14B, GLY221B, GLY289B, GLY30B, GLY314B, GLY321B, GLY37F, HIS28B, HIS36B, ILE33B, ILE341B, LEU228B, LEU27B, LEU291B, LEU35F, LEU36F, LEU84F, LYS288B, MET285B, MET39F, PHE316B, PHE41F, PRO318B, PRO88F, SER317B, SER31B, SER323B, SER62F, SER67F, SER85F, SER87F, THR225B, THR315B, TYR29B, TYR322B, VAL290B, VAL40F, VAL42F, VAL59F, VAL63F