3DO4

crystal structure of transthyretin variant t60a at acidic ph

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 92
  • Norm. En. per Res.: -4.1223
• 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	-108.6483	5.1216	-275.729	-379.2557	92	12	7	10281	0	34	32
A-C	-19.0482	0.0	-70.9228	-89.971	55	3	2	3595	0	4	4
A-E	-19.4352	0.0	-104.997	-124.4322	42	6	5	3729	0	0	2
A-G	-8.4718	0.0	-26.0663	-34.5381	14	1	0	1109	0	3	1
B-C	-16.4	0.0	-103.704	-120.104	42	4	5	3688	0	0	2
B-E	-15.5847	0.0	-61.8523	-77.437	53	2	2	3357	0	4	5
B-F	0.0	2.3874	-50.1056	-47.7182	29	5	3	2249	0	2	4
C-D	0.0	0.0	-0.0864	-0.0864	7	0	0	55	0	0	1
C-E	-95.8166	8.5829	-273.891	-361.1247	91	12	6	10223	0	33	31
C-F	-9.3642	0.0	-24.3892	-33.7534	20	2	1	1153	0	0	1
C-H	-24.9255	0.1426	-40.7308	-65.5137	33	3	3	2305	0	3	4
D-E	0.0	9.719	-21.4151	-11.6961	15	0	0	618	0	4	4
D-F	-78.166	3.4579	-266.711	-341.4191	90	13	6	9888	0	31	31
D-G	-18.4564	0.0	-101.881	-120.3374	42	5	5	3759	0	0	2
D-H	-22.998	0.0	-60.1804	-83.1784	54	3	2	3448	0	5	5
E-F	0.0	0.0	-0.196	-0.196	4	0	0	45	0	0	1
F-G	-18.6117	0.0	-73.2032	-91.8149	55	4	2	3741	0	4	5
F-H	-20.3234	0.0	-102.311	-122.6344	42	11	6	3683	0	0	2
G-H	-103.7037	23.6104	-268.262	-348.3553	90	18	8	9974	0	32	30

Interface residues

• A-B: ALA108A, ALA108B, ALA109A, ALA109B, ALA120A, ALA120B, ALA91A, ALA91B, ALA97A, ALA97B, ARG103A, ARG103B, ARG104A, ARG104B, ASN98A, ASN98B, ASP99A, ASP99B, GLU72A, GLU72B, GLU89A, GLU89B, GLU92A, GLU92B, GLY67A, GLY67B, HIS88A, HIS88B, HIS90A, HIS90B, ILE107A, ILE107B, ILE68A, ILE68B, LEU110A, LEU110B, LEU12A, LEU12B, LYS35A, LYS35B, LYS70A, LYS70B, LYS76A, LYS76B, PHE64A, PHE64B, PHE87A, PHE87B, PHE95A, PHE95B, PRO113A, PRO113B, PRO86A, PRO86B, SER112A, SER112B, SER115A, SER115B, SER117A, SER117B, THR106A, THR106B, THR118A, THR118B, THR119A, THR119B, THR123A, THR123B, THR75A, THR75B, THR96A, THR96B, TRP41A, TRP41B, TYR105A, TYR105B, TYR114A, TYR114B, TYR116A, TYR116B, TYR69A, TYR69B, VAL121A, VAL121B, VAL122A, VAL122B, VAL71A, VAL71B, VAL93A, VAL93B, VAL94A, VAL94B
• A-C: ALA108A, ALA108C, ALA109A, ALA109C, ALA120A, ALA120C, ALA19A, ALA19C, ALA25A, ALA25C, ARG21A, ARG21C, ASN124A, ASN124C, ASP18A, ASP18C, GLU51A, GLU51C, GLU54A, GLY22A, GLY22C, ILE26A, ILE26C, LEU110A, LEU110C, LEU111A, LEU111C, LEU17A, LEU17C, LYS15A, LYS15C, PRO24A, PRO24C, SER112A, SER117A, SER117C, SER23A, SER23C, SER52A, SER52C, THR106A, THR106C, THR118A, THR118C, THR119A, THR119C, THR123A, THR123C, VAL121A, VAL121C, VAL122A, VAL122C, VAL16C, VAL20A, VAL20C
• A-E: ALA19A, ALA19E, ARG21A, ARG21E, ASP18A, ASP18E, GLY22A, GLY22E, HIS88A, HIS88E, ILE84A, ILE84E, LEU110A, LEU110E, LEU111A, LEU111E, LEU17A, LEU17E, PHE87A, PHE87E, PRO113A, PRO113E, PRO86A, PRO86E, SER112A, SER112E, SER115A, SER115E, SER117A, SER117E, SER23A, SER23E, SER85A, SER85E, TRP79A, TRP79E, TYR114A, TYR114E, TYR116A, TYR116E, VAL20A, VAL20E
• A-G: ARG103A, ARG103G, ASN124A, ASN124G, ASP99A, ASP99G, GLY101A, GLY101G, PRO102A, PRO102G, PRO125A, PRO125G, SER100A, SER100G
• B-C: ALA19B, ALA19C, ARG21B, ARG21C, ASP18B, ASP18C, GLY22B, GLY22C, HIS88B, HIS88C, ILE84B, ILE84C, LEU110B, LEU110C, LEU111B, LEU111C, LEU17B, LEU17C, PHE87B, PHE87C, PRO113B, PRO113C, PRO86B, PRO86C, SER112B, SER112C, SER115B, SER115C, SER117B, SER117C, SER23B, SER23C, SER85B, SER85C, TRP79B, TRP79C, TYR114B, TYR114C, TYR116B, TYR116C, VAL20B, VAL20C
• B-E: ALA108B, ALA108E, ALA109B, ALA109E, ALA120B, ALA120E, ALA19B, ALA19E, ALA25E, ARG103E, ARG21B, ARG21E, ASP18B, ASP18E, GLU51B, GLU51E, GLY22B, GLY22E, ILE26B, ILE26E, LEU110B, LEU110E, LEU111B, LEU111E, LEU17B, LEU17E, LYS15B, LYS15E, MET13B, PRO24B, PRO24E, SER117B, SER117E, SER23B, SER23E, SER52B, SER52E, THR106B, THR106E, THR118B, THR118E, THR119B, THR119E, THR123B, THR123E, VAL121B, VAL121E, VAL122B, VAL122E, VAL16B, VAL16E, VAL20B, VAL20E
• B-F: ALA25F, ALA81B, ALA81F, ARG21B, ARG21F, ASN27F, ASP18B, ASP18F, GLU51F, GLY22B, GLY83B, GLY83F, ILE26F, ILE84B, ILE84F, LEU82B, LEU82F, LYS48F, LYS80B, LYS80F, PRO113B, PRO24F, SER77F, SER85B, TRP79B, TRP79F, TYR78B, TYR78F, VAL20B
• C-D: ARG103D, ASN124D, LYS76C, LYS80C, SER100D, SER85C, VAL122D
• C-E: ALA108C, ALA108E, ALA109C, ALA109E, ALA120C, ALA120E, ALA91C, ALA91E, ALA97C, ALA97E, ARG103C, ARG103E, ARG104C, ARG104E, ASN98C, ASN98E, ASP99C, ASP99E, GLU72C, GLU72E, GLU89C, GLU89E, GLU92C, GLU92E, HIS88C, HIS88E, HIS90C, HIS90E, ILE107C, ILE107E, ILE68C, ILE68E, ILE73C, LEU110C, LEU110E, LEU12C, LEU12E, LYS35C, LYS35E, LYS70C, LYS70E, LYS76C, LYS76E, LYS80E, PHE64C, PHE64E, PHE87C, PHE87E, PHE95C, PHE95E, PRO113C, PRO113E, PRO86C, PRO86E, SER112C, SER112E, SER115C, SER115E, SER117C, SER117E, SER85E, THR106C, THR106E, THR118C, THR118E, THR119C, THR119E, THR123E, THR75E, THR96C, THR96E, TRP41C, TRP41E, TYR105C, TYR105E, TYR114C, TYR114E, TYR116C, TYR116E, TYR69C, TYR69E, VAL121C, VAL121E, VAL122C, VAL122E, VAL71C, VAL71E, VAL93C, VAL93E, VAL94C, VAL94E
• C-F: GLY83C, GLY83F, ILE84C, ILE84F, LEU82C, LEU82F, LYS80C, LYS80F, PRO113C, PRO113F, PRO86C, PRO86F, SER85C, SER85F, TRP79C, TRP79F, TYR114C, TYR114F, VAL20C, VAL20F
• C-H: ALA19H, ALA25C, ALA81C, ALA81H, ARG21C, ARG21H, ASN27C, ASP18C, ASP18H, GLU51C, GLY22H, GLY83C, GLY83H, ILE26C, ILE84C, ILE84H, LEU82C, LEU82H, LYS48C, LYS76C, LYS80C, LYS80H, PRO113H, PRO24C, SER23C, SER23H, SER77C, SER85H, TRP79C, TRP79H, TYR78C, TYR78H, VAL20H
• D-E: ARG103D, ARG103E, ASN98D, ASN98E, ASP99D, ASP99E, GLU66D, GLU66E, GLY101D, GLY101E, PRO102D, SER100D, SER100E, THR96D, THR96E
• D-F: ALA108D, ALA108F, ALA109D, ALA109F, ALA120D, ALA120F, ALA91D, ALA91F, ALA97D, ALA97F, ARG103D, ARG103F, ARG104D, ARG104F, ASN98D, ASN98F, GLU72D, GLU72F, GLU89D, GLU89F, GLU92D, GLU92F, GLY67D, HIS88D, HIS88F, HIS90D, HIS90F, ILE107D, ILE107F, ILE68D, ILE68F, LEU110D, LEU110F, LEU12D, LEU12F, LYS35D, LYS35F, LYS70D, LYS70F, LYS76D, LYS76F, PHE64D, PHE64F, PHE87D, PHE87F, PHE95D, PHE95F, PRO113D, PRO113F, PRO86D, PRO86F, SER100D, SER112D, SER112F, SER115D, SER115F, SER117D, SER117F, SER85F, THR106D, THR106F, THR118D, THR118F, THR119D, THR119F, THR123D, THR123F, THR75F, THR96D, THR96F, TRP41D, TRP41F, TYR105D, TYR105F, TYR114D, TYR114F, TYR116D, TYR116F, TYR69D, TYR69F, VAL121D, VAL121F, VAL122D, VAL122F, VAL71D, VAL71F, VAL93D, VAL93F, VAL94D, VAL94F
• D-G: ALA19D, ALA19G, ARG21D, ARG21G, ASP18D, ASP18G, GLY22D, GLY22G, HIS88D, HIS88G, ILE84D, ILE84G, LEU110D, LEU110G, LEU111D, LEU111G, LEU17D, LEU17G, PHE87D, PHE87G, PRO113D, PRO113G, PRO86D, PRO86G, SER112D, SER112G, SER115D, SER115G, SER117D, SER117G, SER23D, SER23G, SER85D, SER85G, TRP79D, TRP79G, TYR114D, TYR114G, TYR116D, TYR116G, VAL20D, VAL20G
• D-H: ALA108D, ALA108H, ALA109D, ALA109H, ALA120D, ALA120H, ALA19D, ALA19H, ALA25D, ARG21D, ARG21H, ASN124D, ASN124H, ASP18D, ASP18H, GLU51D, GLU54D, GLY22D, GLY22H, ILE26D, ILE26H, LEU110D, LEU110H, LEU111D, LEU111H, LEU17D, LEU17H, LYS15D, LYS15H, MET13H, PRO24D, PRO24H, SER117D, SER117H, SER23D, SER23H, SER52D, SER52H, THR106D, THR106H, THR118D, THR118H, THR119D, THR119H, THR123D, THR123H, VAL121D, VAL121H, VAL122D, VAL122H, VAL16D, VAL16H, VAL20D, VAL20H
• E-F: ARG103E, ASN124E, LYS76F, LYS80F
• F-G: ALA108F, ALA108G, ALA120F, ALA120G, ALA19F, ALA19G, ALA25G, ARG104F, ARG21F, ARG21G, ASN124F, ASN124G, ASP18F, ASP18G, GLU51F, GLU51G, GLY22F, GLY22G, GLY53G, ILE26G, LEU110F, LEU110G, LEU111F, LEU111G, LEU17F, LEU17G, LYS15F, LYS15G, MET13G, PRO24F, PRO24G, SER112F, SER117F, SER117G, SER23F, SER23G, SER52F, SER52G, THR106F, THR106G, THR118F, THR118G, THR119F, THR119G, THR123F, THR123G, TYR105F, TYR105G, VAL121F, VAL121G, VAL122F, VAL122G, VAL16G, VAL20F, VAL20G
• F-H: ALA19F, ALA19H, ARG21F, ARG21H, ASP18F, ASP18H, GLY22F, GLY22H, HIS88F, HIS88H, ILE84F, ILE84H, LEU110F, LEU110H, LEU111F, LEU111H, LEU17F, LEU17H, PHE87F, PHE87H, PRO113F, PRO113H, PRO86F, PRO86H, SER112F, SER112H, SER115F, SER115H, SER117F, SER117H, SER23F, SER23H, SER85F, SER85H, TRP79F, TRP79H, TYR114F, TYR114H, TYR116F, TYR116H, VAL20F, VAL20H
• G-H: ALA108G, ALA108H, ALA109G, ALA109H, ALA120G, ALA120H, ALA91G, ALA91H, ALA97G, ALA97H, ARG103G, ARG103H, ARG104G, ARG104H, ASN98G, ASN98H, ASP99G, ASP99H, GLU72G, GLU72H, GLU89G, GLU89H, GLU92G, GLU92H, GLY67H, HIS88G, HIS88H, HIS90G, HIS90H, ILE107G, ILE107H, ILE68G, ILE68H, LEU110G, LEU110H, LEU12G, LEU12H, LYS35G, LYS35H, LYS70G, LYS70H, LYS76G, LYS76H, LYS80H, PHE64G, PHE64H, PHE87G, PHE87H, PHE95G, PHE95H, PRO113G, PRO113H, PRO86G, PRO86H, SER112G, SER112H, SER115G, SER115H, SER117G, SER117H, SER85G, THR106G, THR106H, THR118G, THR118H, THR119G, THR119H, THR123G, THR96G, THR96H, TRP41G, TRP41H, TYR105G, TYR105H, TYR114G, TYR114H, TYR116G, TYR116H, TYR69G, TYR69H, VAL121G, VAL121H, VAL122G, VAL122H, VAL71G, VAL71H, VAL93G, VAL93H, VAL94G, VAL94H