1SN2

crystal structure of sea bream transthyretin at 1.90a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 88
  • Norm. En. per Res.: -4.3212
• 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	-96.7995	13.3091	-296.778	-380.2684	88	16	8	10571	0	26	29
A-C	-47.544	-5.4934	-139.574	-192.6114	66	8	3	5967	0	7	10
A-D	-23.8666	0.0	-103.215	-127.0816	42	9	6	3766	0	0	2
B-C	-23.1376	0.0	-100.416	-123.5536	41	4	6	3619	0	0	2
B-D	-26.4328	0.6282	-62.4626	-88.2672	45	2	2	3398	0	2	5
C-D	-95.4223	16.89	-274.365	-352.8973	88	14	8	10120	0	26	27

Interface residues

• A-B: ALA108A, ALA108B, ALA120A, ALA120B, ALA91A, ALA91B, ALA97A, ALA97B, ARG103A, ARG70A, ARG70B, ASP96A, ASP96B, GLU72A, GLU72B, GLU89A, GLU89B, GLU92A, GLU92B, GLY67A, GLY67B, HIS88A, HIS88B, HIS98A, HIS98B, LEU107A, LEU107B, LEU109A, LEU109B, LEU110A, LEU110B, LEU111A, LEU12A, LEU12B, LYS35A, LYS35B, LYS76A, LYS76B, PHE114A, PHE114B, PHE64A, PHE64B, PHE87A, PHE87B, PHE95A, PHE95B, PRO113A, PRO113B, PRO86A, PRO86B, SER112A, SER112B, SER115A, SER115B, SER123A, THR106A, THR106B, THR117A, THR117B, THR118A, THR118B, THR119A, THR119B, THR75B, THR85A, THR85B, TRP41A, TRP41B, TYR105A, TYR105B, TYR116A, TYR116B, TYR69A, TYR69B, VAL121A, VAL121B, VAL122A, VAL122B, VAL68A, VAL68B, VAL71A, VAL71B, VAL90A, VAL90B, VAL93A, VAL93B, VAL94A, VAL94B
• A-C: ALA108A, ALA108C, ALA120A, ALA120C, ALA19A, ALA19C, ALA25A, ALA25C, ALA51C, ARG103A, ARG103C, ASN81C, ASP18A, ASP18C, ASP50C, GLN82C, GLU127A, GLU54C, GLY22A, GLY22C, GLY26C, GLY53C, HIS126A, ILE16A, ILE16C, LEU110A, LEU110C, LEU111C, LEU17A, LEU17C, LYS15A, LYS15C, LYS21A, LYS21C, PRO24A, PRO24C, SER112C, SER123A, SER123C, SER124A, SER124C, SER27C, THR106A, THR106C, THR117A, THR117C, THR118A, THR118C, THR119A, THR119C, THR23A, THR23C, THR49C, THR52A, THR52C, TRP79C, TYR105A, TYR105C, TYR78C, VAL121A, VAL121C, VAL122A, VAL122C, VAL125A, VAL20C, VAL28C
• A-D: ALA19A, ALA19D, ASP18A, ASP18D, GLY22A, GLY22D, HIS88A, HIS88D, LEU110A, LEU110D, LEU111A, LEU111D, LEU17A, LEU17D, LYS21A, LYS21D, PHE114A, PHE114D, PHE87A, PHE87D, PRO113A, PRO113D, PRO86A, PRO86D, SER112A, SER112D, SER115A, SER115D, SER84A, SER84D, THR117A, THR117D, THR23A, THR23D, THR85A, THR85D, TRP79A, TRP79D, TYR116A, TYR116D, VAL20A, VAL20D
• B-C: ALA19B, ALA19C, ASP18B, ASP18C, GLY22B, GLY22C, HIS88C, LEU110B, LEU110C, LEU111B, LEU111C, LEU17B, LEU17C, LYS21B, LYS21C, PHE114B, PHE114C, PHE87B, PHE87C, PRO113B, PRO113C, PRO86B, PRO86C, SER112B, SER112C, SER115B, SER115C, SER84B, SER84C, THR117B, THR117C, THR23B, THR23C, THR85B, THR85C, TRP79B, TRP79C, TYR116B, TYR116C, VAL20B, VAL20C
• B-D: ALA108B, ALA108D, ALA120B, ALA120D, ALA19B, ALA19D, ALA25B, ASP18B, ASP18D, GLY22B, GLY22D, ILE16B, ILE16D, LEU110B, LEU110D, LEU111D, LEU17B, LEU17D, LYS15B, LYS15D, LYS21B, LYS21D, PRO24B, PRO24D, SER123B, SER123D, SER124B, THR106B, THR106D, THR117B, THR117D, THR118B, THR118D, THR119B, THR119D, THR23B, THR23D, THR52B, THR52D, TYR105B, VAL121B, VAL121D, VAL122B, VAL122D, VAL20D
• C-D: ALA108C, ALA108D, ALA120C, ALA120D, ALA91C, ALA91D, ALA97C, ALA97D, ARG103C, ARG103D, ARG70C, ARG70D, ASP96C, ASP96D, GLU72C, GLU72D, GLU89C, GLU89D, GLU92C, GLU92D, GLY67C, HIS104D, HIS88C, HIS88D, HIS98C, HIS98D, LEU107C, LEU107D, LEU109C, LEU109D, LEU110C, LEU110D, LEU12C, LEU12D, LYS35C, LYS35D, LYS76C, LYS76D, PHE114C, PHE114D, PHE64C, PHE64D, PHE73D, PHE87C, PHE87D, PHE95C, PHE95D, PRO113C, PRO113D, PRO86C, PRO86D, SER112C, SER112D, SER115C, SER115D, THR106C, THR106D, THR117C, THR117D, THR118C, THR118D, THR119C, THR119D, THR75C, THR85C, THR85D, TRP41C, TRP41D, TYR105C, TYR105D, TYR116C, TYR116D, TYR69C, TYR69D, VAL121C, VAL121D, VAL122C, VAL122D, VAL68C, VAL68D, VAL71C, VAL71D, VAL90C, VAL90D, VAL93C, VAL93D, VAL94C, VAL94D