3GRG

crystal structure of the f87m/l110m mutant of human transthyretin at ph 7.5

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-C
  • Int. Res.: 87
  • Norm. En. per Res.: -3.7172
• 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	-85.5001	-1.4431	-229.951	-316.8943	86	17	3	8541	0	31	33
A-D	-21.0581	0.0	-134.542	-155.6001	48	9	8	5258	0	0	4
A-C	-28.7806	0.0	-92.8774	-121.658	68	9	2	4628	0	6	6
B-D	-27.5071	0.0	-109.421	-136.9281	69	6	2	4970	0	5	5
B-C	-18.4585	0.0	-133.58	-152.0385	46	12	8	5336	0	0	3
D-C	-87.3118	-2.45	-233.637	-323.3988	87	18	3	8377	0	32	33

Interface residues

• A-B: ALA108A, ALA108B, ALA109A, ALA109B, ALA120A, ALA120B, ALA91A, ALA91B, ALA97A, ALA97B, ARG103A, ARG103B, ASN98B, ASP38B, ASP39A, ASP39B, ASP99A, ASP99B, GLU72A, GLU72B, GLU89A, GLU89B, GLU92A, GLU92B, GLY67A, GLY67B, HIS88A, HIS88B, HIS90A, HIS90B, ILE107A, ILE107B, ILE68A, ILE68B, LYS35A, LYS35B, LYS70A, LYS70B, LYS76A, LYS76B, MET110A, MET110B, MET87A, MET87B, PHE95A, PHE95B, PRO113A, PRO113B, PRO86A, PRO86B, SER112A, SER112B, SER115A, SER115B, SER117A, SER117B, SER85A, SER85B, THR106A, THR106B, THR118A, THR118B, THR119A, THR119B, THR40A, THR40B, THR96A, THR96B, TRP41A, TRP41B, TYR105A, TYR105B, TYR114A, TYR114B, TYR116A, TYR116B, TYR69A, TYR69B, VAL121A, VAL121B, VAL122A, VAL122B, VAL93A, VAL93B, VAL94A, VAL94B
• A-D: ALA19A, ALA19D, ALA81A, ALA81D, ARG21A, ARG21D, ASP18A, ASP18D, GLY22A, GLY22D, GLY83A, GLY83D, ILE84A, ILE84D, LEU111A, LEU111D, LEU17A, LEU17D, LEU82A, LEU82D, MET110A, MET110D, MET87A, MET87D, PRO113A, PRO113D, PRO86A, PRO86D, SER112A, SER112D, SER115A, SER115D, SER117A, SER117D, SER23A, SER23D, SER85A, SER85D, THR118A, THR118D, TRP79A, TRP79D, TYR114A, TYR114D, TYR116A, TYR116D, VAL20A, VAL20D
• A-C: ALA108A, ALA108C, ALA109A, ALA109C, ALA120A, ALA120C, ALA19A, ALA19C, ALA25A, ALA25C, ARG104A, ARG104C, ARG21A, ARG21C, ASN124A, ASN124C, ASP18A, ASP18C, GLU51A, GLU51C, GLU54A, GLU54C, GLY22A, GLY22C, GLY53A, GLY53C, ILE107C, ILE26A, ILE26C, LEU111A, LEU111C, LEU17A, LEU17C, LYS15A, LYS15C, MET110A, MET110C, MET13A, MET13C, PRO24A, PRO24C, SER112A, SER117A, SER117C, SER23A, SER23C, SER52A, SER52C, THR106A, THR106C, THR118A, THR118C, THR119A, THR119C, THR123A, THR123C, TYR105A, TYR105C, TYR116A, TYR116C, VAL121A, VAL121C, VAL122A, VAL122C, VAL16A, VAL16C, VAL20A, VAL20C
• B-D: ALA108B, ALA108D, ALA109B, ALA109D, ALA120B, ALA120D, ALA19B, ALA19D, ALA25B, ALA25D, ARG104B, ARG104D, ARG21B, ARG21D, ASN124B, ASN124D, ASP18B, ASP18D, GLU51B, GLU51D, GLU54B, GLU54D, GLY22B, GLY22D, GLY53B, GLY53D, ILE107B, ILE107D, ILE26B, ILE26D, LEU111B, LEU111D, LEU17B, LEU17D, LYS15B, LYS15D, MET110B, MET110D, MET13B, MET13D, PRO24B, PRO24D, SER112D, SER117B, SER117D, SER23B, SER23D, SER52B, SER52D, THR106B, THR106D, THR118B, THR118D, THR119B, THR119D, THR123B, THR123D, TYR105B, TYR105D, TYR116B, TYR116D, VAL121B, VAL121D, VAL122B, VAL122D, VAL16B, VAL16D, VAL20B, VAL20D
• B-C: ALA19B, ALA19C, ALA81B, ALA81C, ARG21B, ARG21C, ASP18B, ASP18C, GLY22B, GLY22C, GLY83B, GLY83C, ILE84B, ILE84C, LEU111B, LEU111C, LEU17B, LEU17C, LEU82B, LEU82C, MET110B, MET110C, MET87B, MET87C, PRO113B, PRO113C, PRO86B, PRO86C, SER112B, SER112C, SER115B, SER115C, SER117B, SER117C, SER23B, SER23C, SER85B, SER85C, TRP79B, TRP79C, TYR114B, TYR114C, TYR116B, TYR116C, VAL20B, VAL20C
• D-C: ALA108C, ALA108D, ALA109C, ALA109D, ALA120C, ALA120D, ALA91C, ALA91D, ALA97C, ALA97D, ARG103C, ARG103D, ASN98D, ASP38C, ASP38D, ASP39C, ASP39D, ASP99C, ASP99D, GLU72C, GLU72D, GLU89C, GLU89D, GLU92C, GLU92D, GLY67C, HIS88C, HIS88D, HIS90C, HIS90D, ILE107C, ILE107D, ILE68C, ILE68D, LYS35C, LYS35D, LYS70C, LYS70D, LYS76C, LYS76D, MET110C, MET110D, MET87C, MET87D, PHE95C, PHE95D, PRO113C, PRO113D, PRO86C, PRO86D, SER100D, SER112C, SER112D, SER115C, SER115D, SER117C, SER117D, SER85C, SER85D, THR106C, THR106D, THR118C, THR118D, THR119C, THR119D, THR40C, THR40D, THR96C, THR96D, TRP41C, TRP41D, TYR105C, TYR105D, TYR114C, TYR114D, TYR116C, TYR116D, TYR69C, TYR69D, VAL121C, VAL121D, VAL122C, VAL122D, VAL93C, VAL93D, VAL94C, VAL94D