3MZT

protein-induced photophysical changes to the amyloid indicator dye, thioflavin t

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 63
  • Norm. En. per Res.: -3.664
• 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	-29.9709	-11.5267	-189.129	-230.6266	64	7	3	6159	4	24	17
A-C	0.0	0.0	-0.005	-0.005	2	0	0	5	0	1	0
A-E	0.0	0.0	-0.0072	-0.0072	3	0	0	6	0	1	0
A-F	-33.4107	-20.9928	-266.707	-321.1105	96	11	2	9546	2	22	19
B-C	-22.088	-20.8964	-235.387	-278.3715	90	3	2	8729	2	22	18
B-D	0.0	0.0	-0.0058	-0.0058	2	0	0	5	0	1	0
B-F	0.0	0.0	-0.0073	-0.0073	3	0	0	6	0	1	0
C-D	-29.3759	-11.3587	-185.843	-226.5776	63	7	3	6096	4	24	17
C-E	0.0	0.0	-0.0104	-0.0104	3	0	0	7	0	1	0
D-E	-7.2948	-6.6521	-229.139	-243.0858	90	5	2	8497	2	21	14
D-F	0.0	0.0	-0.0107	-0.0107	3	0	0	7	0	1	0
E-F	-31.726	-11.3046	-187.801	-230.8316	63	7	3	6103	3	24	17

Interface residues

• A-B: ARG45A, ARG45B, ASP34A, ASP34B, ASP38A, ASP38B, ASP53A, ASP53B, ASP59A, ASP59B, GLU36A, GLU36B, GLU47A, GLU47B, HIS31A, HIS31B, HIS51A, HIS51B, HIS84A, HIS84B, ILE35A, ILE35B, ILE46A, ILE46B, LEU54A, LEU54B, LEU64A, LEU64B, LEU65A, LEU65B, LYS48A, LYS48B, LYS58A, LYS58B, MET0A, MET0B, PHE30A, PHE30B, PHE56A, PHE56B, PHE62A, PHE62B, PRO32A, PRO32B, SER33A, SER33B, SER52A, SER52B, SER55A, SER55B, SER57A, SER57B, SER61A, SER61B, TRP60A, TRP60B, TYR63A, TYR63B, TYR66A, TYR66B, VAL37A, VAL37B, VAL49A, VAL49B
• A-C: HIS51A, PHE13C
• A-E: ASP53E, HIS51E, PHE13A
• A-F: ALA15A, ALA15F, ARG12A, ARG12F, ARG3A, ARG3F, ARG97A, ARG97F, ASN17A, ASN17F, ASN21A, ASN21F, ASN24A, ASN24F, ASP59A, ASP59F, ASP96A, ASP96F, ASP98A, ASP98F, GLN8A, GLN8F, GLU16A, GLU16F, GLY29A, GLY29F, HIS31A, HIS31F, ILE1A, ILE1F, ILE7A, ILE7F, LEU54A, LEU54F, LEU64A, LEU64F, LEU65A, LEU65F, LYS19A, LYS19F, LYS58A, LYS58F, LYS6A, LYS6F, LYS91A, LYS91F, MET0A, MET0F, MET99A, MET99F, PHE13A, PHE13F, PHE22A, PHE22F, PHE30A, PHE30F, PHE56A, PHE56F, PHE62A, PHE62F, PRO14A, PRO14F, PRO32A, PRO32F, PRO5A, PRO5F, SER11A, SER11F, SER20A, SER20F, SER28A, SER28F, SER55A, SER55F, SER57A, SER57F, SER61A, SER61F, THR4A, THR4F, TRP60A, TRP60F, TRP95A, TRP95F, TYR10A, TYR10F, TYR26A, TYR26F, TYR63A, TYR63F, VAL27A, VAL27F, VAL93A, VAL93F, VAL9A, VAL9F
• B-C: ALA15B, ALA15C, ARG12B, ARG12C, ARG3B, ARG3C, ARG97B, ARG97C, ASN17B, ASN17C, ASN21B, ASN21C, ASN24B, ASN24C, ASP59B, ASP59C, ASP96B, ASP96C, ASP98B, ASP98C, GLN8B, GLN8C, GLU16B, GLU16C, GLY29B, GLY29C, ILE1B, ILE1C, ILE7B, ILE7C, LEU54B, LEU54C, LEU64B, LEU64C, LEU65B, LYS19B, LYS19C, LYS58B, LYS58C, LYS6B, LYS6C, LYS91C, MET0B, MET0C, MET99B, MET99C, PHE13B, PHE13C, PHE22B, PHE22C, PHE30B, PHE30C, PHE56B, PHE56C, PHE62B, PHE62C, PRO14B, PRO14C, PRO32C, PRO5B, PRO5C, SER11B, SER11C, SER20B, SER20C, SER28B, SER28C, SER55B, SER55C, SER57B, SER57C, SER61B, SER61C, THR4B, THR4C, TRP60B, TRP60C, TRP95B, TRP95C, TYR10B, TYR10C, TYR26B, TYR26C, TYR63B, TYR63C, VAL27B, VAL27C, VAL93B, VAL9B, VAL9C
• B-D: HIS51D, PHE13B
• B-F: ASP53B, HIS51B, PHE13F
• C-D: ARG45C, ARG45D, ASP34C, ASP34D, ASP38C, ASP38D, ASP53C, ASP53D, ASP59C, ASP59D, GLU36C, GLU36D, GLU47C, GLU47D, HIS31C, HIS31D, HIS51C, HIS51D, HIS84C, ILE35C, ILE35D, ILE46C, ILE46D, LEU54C, LEU54D, LEU64C, LEU64D, LEU65C, LEU65D, LYS48C, LYS48D, LYS58C, LYS58D, MET0C, MET0D, PHE30C, PHE30D, PHE56C, PHE56D, PHE62C, PHE62D, PRO32C, PRO32D, SER33C, SER33D, SER52C, SER52D, SER55C, SER55D, SER57C, SER57D, SER61C, SER61D, TRP60C, TRP60D, TYR63C, TYR63D, TYR66C, TYR66D, VAL37C, VAL37D, VAL49C, VAL49D
• C-E: ASP53C, HIS51C, PHE13E
• D-E: ALA15D, ALA15E, ARG12D, ARG12E, ARG3D, ARG3E, ARG97D, ARG97E, ASN17D, ASN17E, ASN21D, ASN21E, ASN24D, ASN24E, ASP59D, ASP59E, ASP96D, ASP96E, ASP98D, ASP98E, GLN8D, GLN8E, GLU16D, GLU16E, GLY29D, GLY29E, HIS31D, HIS31E, ILE1D, ILE1E, ILE7D, ILE7E, LEU54D, LEU54E, LEU64D, LEU64E, LEU65D, LEU65E, LYS19D, LYS19E, LYS58D, LYS58E, LYS6D, LYS6E, MET0D, MET0E, MET99D, MET99E, PHE13D, PHE13E, PHE22D, PHE22E, PHE30D, PHE30E, PHE56D, PHE56E, PHE62D, PHE62E, PRO14D, PRO14E, PRO5D, PRO5E, SER11D, SER11E, SER20D, SER20E, SER28D, SER28E, SER55D, SER55E, SER57D, SER57E, SER61D, SER61E, THR4D, THR4E, TRP60D, TRP60E, TRP95D, TRP95E, TYR10D, TYR10E, TYR26D, TYR26E, TYR63D, TYR63E, VAL27D, VAL27E, VAL9D, VAL9E
• D-F: ASP53F, HIS51F, PHE13D
• E-F: ARG45E, ARG45F, ASP34E, ASP34F, ASP38E, ASP38F, ASP53E, ASP53F, ASP59E, ASP59F, GLU36E, GLU36F, GLU47E, GLU47F, HIS31E, HIS31F, HIS51E, HIS51F, HIS84F, ILE35E, ILE35F, ILE46E, ILE46F, LEU54E, LEU54F, LEU64E, LEU64F, LEU65E, LEU65F, LYS48E, LYS48F, LYS58E, LYS58F, MET0E, MET0F, PHE30E, PHE30F, PHE56E, PHE56F, PHE62E, PHE62F, PRO32E, PRO32F, SER33E, SER33F, SER52E, SER52F, SER55E, SER55F, SER57E, SER57F, SER61E, SER61F, TRP60E, TRP60F, TYR63E, TYR63F, TYR66E, TYR66F, VAL37E, VAL37F, VAL49E, VAL49F