5TTR

leu 55 pro transthyretin crystal structure

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 88
  • Norm. En. per Res.: -3.8564
• Hub Node: C(5)

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	-78.9047	-6.0648	-247.43	-332.3995	92	19	6	9701	1	31	31
A-F	-17.9266	0.0	-16.9672	-34.8938	15	6	0	850	0	2	1
B-D	-11.5746	1.1158	-25.373	-35.8318	24	8	1	1777	0	2	4
C-D	-87.3401	-8.6648	-243.36	-339.3649	88	18	7	9549	0	31	31
C-E	-19.9876	0.0	-56.6675	-76.6551	50	4	2	3187	0	4	3
C-F	-9.9631	0.0	-93.2997	-103.2628	40	2	5	3544	0	0	2
C-G	0.0	0.0	-0.917	-0.917	6	0	0	94	0	0	1
C-H	0.0	0.0	-27.3423	-27.3423	19	1	1	1112	0	0	1
D-E	-19.9759	0.0	-96.86	-116.8359	41	8	4	3695	0	0	2
D-F	-25.5315	0.0	-61.8906	-87.4221	51	6	2	3325	0	5	3
D-G	0.0	4.9912	-17.2425	-12.2513	15	0	0	517	0	2	4
D-H	0.0	0.0	-0.0025	-0.0025	3	0	0	4	0	0	0
E-F	-53.6843	-23.9131	-251.767	-329.3644	90	15	7	9653	3	31	29
F-H	-3.1038	8.7343	-56.1156	-50.4851	29	2	3	2417	0	2	4
G-H	-74.0953	13.9378	-250.843	-311.0005	91	14	6	9507	1	31	30

Interface residues

• A-B: ALA108A, ALA108B, ALA109A, ALA120A, ALA120B, ALA91A, ALA91B, ALA97A, ALA97B, ARG103A, ARG103B, ARG104A, ARG104B, ASN98A, ASN98B, ASP99A, ASP99B, GLU72A, GLU72B, GLU89A, GLU89B, GLU92A, GLU92B, GLY67A, 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, SER100A, SER112A, SER112B, SER115A, SER115B, SER117A, SER117B, SER85A, SER85B, THR106A, THR106B, THR118A, THR118B, THR119A, THR119B, THR123A, THR123B, THR75B, THR96A, THR96B, TRP41A, TRP41B, TYR105A, TYR105B, TYR114A, TYR114B, TYR116A, TYR116B, TYR69A, TYR69B, VAL121A, VAL121B, VAL122A, VAL122B, VAL71A, VAL71B, VAL93A, VAL93B, VAL94A, VAL94B
• A-F: ARG103A, ARG103F, ASN124A, ASN124F, ASN98A, ASP99A, ASP99F, GLY101A, GLY101F, PRO102A, PRO102F, PRO125A, PRO125F, SER100A, SER100F
• B-D: ALA81B, ALA81D, ARG21B, ARG21D, ASN27D, ASP18B, GLY83B, GLY83D, ILE26D, ILE84B, ILE84D, LEU82B, LEU82D, LYS48D, LYS80B, LYS80D, PRO113B, SER77D, SER85B, TRP79B, TRP79D, TYR78B, TYR78D, VAL20B
• C-D: ALA108C, ALA108D, ALA109C, ALA109D, ALA120C, ALA120D, ALA91C, ALA91D, ALA97C, ALA97D, ARG103C, ARG103D, ARG104C, ASN98C, ASN98D, ASP99C, ASP99D, GLU72C, GLU72D, GLU89C, GLU89D, GLU92C, GLU92D, GLY67C, HIS88C, HIS88D, HIS90C, HIS90D, ILE107C, ILE107D, ILE68C, ILE68D, LEU110C, LEU110D, LEU12C, LEU12D, LYS35C, LYS35D, LYS70C, LYS70D, LYS76C, LYS76D, PHE64C, PHE64D, PHE87C, PHE87D, PHE95C, PHE95D, PRO113C, PRO113D, PRO86C, PRO86D, SER112C, SER112D, SER115C, SER115D, SER117C, SER117D, SER85D, THR106C, THR106D, THR118C, THR118D, THR119C, THR119D, THR75D, THR96C, THR96D, TRP41C, TRP41D, TYR105C, TYR105D, TYR114C, TYR114D, TYR116C, TYR116D, TYR69C, TYR69D, VAL121C, VAL121D, VAL122C, VAL122D, VAL71C, VAL71D, VAL93C, VAL93D, VAL94C, VAL94D
• C-E: ALA108C, ALA108E, ALA109E, ALA120C, ALA120E, ALA19C, ALA19E, ALA25C, ARG21C, ARG21E, ASN124C, ASP18C, ASP18E, GLU51C, GLY22C, GLY22E, GLY53C, ILE26C, LEU110C, LEU110E, LEU111C, LEU111E, LEU17C, LEU17E, LYS15C, LYS15E, PRO125E, PRO24C, PRO24E, SER117C, SER117E, SER23C, SER23E, SER52C, SER52E, THR106C, THR106E, THR118C, THR118E, THR119C, THR119E, THR123C, THR123E, VAL121C, VAL121E, VAL122C, VAL122E, VAL16C, VAL20C, VAL20E
• C-F: ALA19C, ALA19F, ARG21C, ARG21F, ASP18C, ASP18F, GLY22C, GLY22F, HIS88F, ILE84C, ILE84F, LEU110C, LEU110F, LEU111C, LEU111F, LEU17F, PHE87C, PHE87F, PRO113C, PRO113F, PRO86C, PRO86F, SER112C, SER112F, SER115C, SER115F, SER117C, SER117F, SER23C, SER23F, SER85C, SER85F, TRP79C, TRP79F, TYR114C, TYR114F, TYR116C, TYR116F, VAL20C, VAL20F
• C-G: ARG103G, ASN124G, LYS76C, LYS80C, SER100G, SER85C
• C-H: GLY83C, GLY83H, ILE84C, ILE84H, LEU82C, LEU82H, LYS80C, PRO113C, PRO113H, PRO86C, PRO86H, SER85C, SER85H, TRP79C, TRP79H, TYR114C, TYR114H, VAL20C, VAL20H
• D-E: ALA19D, ALA19E, ARG21D, ARG21E, ASP18D, ASP18E, GLY22D, GLY22E, HIS88E, ILE84D, ILE84E, LEU110D, LEU110E, LEU111D, LEU111E, LEU17D, LEU17E, PHE87D, PHE87E, PRO113D, PRO113E, PRO86D, PRO86E, SER112D, SER112E, SER115D, SER115E, SER117D, SER117E, SER23D, SER23E, SER85D, SER85E, TRP79D, TRP79E, TYR114D, TYR114E, TYR116D, TYR116E, VAL20D, VAL20E
• D-F: ALA108D, ALA108F, ALA109D, ALA120D, ALA120F, ALA19D, ALA19F, ALA25D, ALA25F, ARG21D, ARG21F, ASN124F, ASP18D, ASP18F, GLU51D, GLU51F, GLY22D, GLY22F, GLY53D, GLY53F, LEU110D, LEU110F, LEU111D, LEU17D, LEU17F, LYS15D, LYS15F, PRO125F, PRO24D, PRO24F, SER117D, SER117F, SER23D, SER23F, SER52D, SER52F, THR106D, THR106F, THR118D, THR118F, THR119D, THR119F, THR123D, THR123F, VAL121D, VAL121F, VAL122D, VAL122F, VAL16D, VAL16F, VAL20D
• D-G: ARG103D, ARG103G, ASN98D, ASN98G, ASP99D, ASP99G, GLU66D, GLU66G, GLY101D, GLY101G, PRO102G, SER100D, SER100G, THR96D, THR96G
• D-H: ARG103D, ASN124D, LYS80H
• E-F: ALA108E, ALA108F, ALA109E, ALA120E, ALA120F, ALA91E, ALA91F, ALA97E, ALA97F, ARG103E, ARG103F, ARG104E, ASN98E, ASN98F, ASP99E, GLU72E, GLU72F, GLU89E, GLU89F, GLU92E, GLU92F, GLY67E, HIS88E, HIS88F, HIS90E, HIS90F, ILE107E, ILE107F, ILE68E, ILE68F, ILE73E, ILE73F, LEU110E, LEU110F, LEU12E, LEU12F, LYS35E, LYS35F, LYS70E, LYS70F, LYS76E, LYS76F, LYS80E, PHE64E, PHE64F, PHE87E, PHE87F, PHE95E, PHE95F, PRO113E, PRO113F, PRO86E, PRO86F, SER112E, SER112F, SER115E, SER115F, SER117E, SER117F, THR106E, THR106F, THR118E, THR118F, THR119E, THR119F, THR123E, THR75E, THR75F, THR96E, THR96F, TRP41E, TRP41F, TYR105E, TYR105F, TYR114E, TYR114F, TYR116E, TYR116F, TYR69E, TYR69F, VAL121E, VAL121F, VAL122E, VAL122F, VAL71E, VAL71F, VAL93E, VAL93F, VAL94E, VAL94F
• F-H: ALA25H, ALA81F, ALA81H, ARG21F, ARG21H, ASN27H, ASP18F, ASP18H, GLU51H, GLY83F, GLY83H, ILE26H, ILE84F, ILE84H, LEU82F, LEU82H, LYS48H, LYS80F, LYS80H, PRO113F, PRO86H, SER77H, SER85F, SER85H, TRP79F, TRP79H, TYR78F, TYR78H, VAL20F
• G-H: ALA108G, ALA108H, ALA109G, ALA109H, ALA120G, ALA120H, ALA91G, ALA91H, ALA97G, ALA97H, ARG103G, ARG103H, ARG104H, ASN98G, ASN98H, ASP99H, GLU72G, GLU72H, GLU89G, GLU89H, GLU92G, GLU92H, HIS88G, HIS88H, HIS90G, HIS90H, ILE107G, ILE107H, ILE68G, ILE68H, ILE73H, LEU110G, LEU110H, LEU12G, LEU12H, LYS35G, LYS35H, LYS70G, LYS70H, LYS76G, LYS76H, LYS80G, PHE64G, PHE64H, PHE87G, PHE87H, PHE95G, PHE95H, PRO113G, PRO113H, PRO86G, PRO86H, SER112G, SER112H, SER115G, SER115H, SER117G, SER117H, SER85H, THR106G, THR106H, THR118G, THR118H, THR119G, THR119H, THR123G, THR123H, THR75G, THR75H, THR96G, THR96H, TRP41G, TRP41H, TYR105G, TYR105H, TYR114G, TYR114H, TYR116G, TYR116H, TYR69G, TYR69H, VAL121G, VAL121H, VAL122G, VAL122H, VAL71G, VAL71H, VAL93G, VAL93H, VAL94G, VAL94H