1LT1

sliding helix induced change of coordination geometry in a model di-mn(ii) protein

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 86
  • Norm. En. per Res.: -3.3203
• Hub Node: B(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	-31.3439	11.134	-217.783	-237.9929	84	9	6	9922	8	37	39
A-C	0.0	0.0	-0.0121	-0.0121	4	0	0	3	0	5	3
A-H	0.0	6.3153	-19.4531	-13.1378	12	0	1	628	0	4	4
B-C	-12.2771	33.1997	-15.6236	5.299	13	1	0	510	0	9	12
B-D	0.0	14.0178	-1.5283	12.4895	10	0	0	125	0	4	7
B-F	0.0	-5.7894	-7.3802	-13.1695	14	0	0	499	0	7	8
B-G	0.0	1.4523	-15.5614	-14.1091	11	0	1	669	0	4	5
B-H	0.0	47.8888	-58.4017	-10.5129	25	1	6	1727	0	8	4
C-D	-16.739	56.0493	-241.346	-202.0357	90	13	9	10777	5	39	40
C-E	0.0	0.0	-23.7613	-23.7613	19	0	1	1231	0	4	3
C-F	-8.3851	0.0	-45.9745	-54.3596	20	3	3	1922	0	3	1
D-E	-6.7808	-0.9447	-40.5986	-48.324	20	1	2	1800	0	3	1
D-F	0.0	0.0	-11.9737	-11.9737	13	2	1	858	0	0	1
E-F	-24.7703	15.0521	-260.306	-270.0242	92	7	9	11281	7	39	42
G-H	-28.8834	-8.9035	-247.755	-285.5419	86	11	8	10698	6	40	39

Interface residues

• A-B: ALA20A, ALA20B, ALA30A, ALA30B, ARG18A, ARG18B, ASP35A, ASP35B, GLN12A, GLN12B, GLN16A, GLN16B, GLU10A, GLU10B, GLU19A, GLU19B, GLU34A, GLU34B, GLU36A, GLU36B, GLU37A, GLU37B, GLU41A, GLU41B, GLU44A, GLU44B, GLU5A, GLU5B, GLY13A, GLY13B, HIS39A, HIS39B, ILE14A, ILE14B, ILE32A, ILE32B, ILE40A, ILE40B, ILE46A, ILE46B, LEU21A, LEU21B, LEU26A, LEU26B, LEU29A, LEU29B, LEU33A, LEU33B, LEU3A, LEU3B, LEU43A, LEU43B, LEU6A, LEU6B, LEU7A, LEU7B, LEU9A, LEU9B, LYS15A, LYS15B, LYS25A, LYS25B, LYS31A, LYS31B, LYS38A, LYS38B, LYS8A, LYS8B, PRO27A, PRO27B, THR45A, THR45B, TRP42A, TRP42B, TYR17A, TYR17B, TYR23A, TYR23B, TYR2A, TYR2B, VAL24A, VAL24B, VAL28A, VAL28B
• A-C: ASP1C, ASP35A, HIS39A, TRP42A
• A-H: ASP1A, ASP1A5, CB6.8326315.63624, GLU19H, GLU22H, GLU5A, LEU21H, LEU3A, LEU6A, TYR23H, TYR2A, VAL24H
• B-C: ARG4C, ASP1C, ASP35B, GLU34B, GLU37B, GLU41B, GLU5C, LEU3C, LYS31B, LYS38B, LYS8C, TRP42B, TYR2C
• B-D: ARG18B, GLN16D, GLU19D, GLU34B, GLU37B, GLU41B, LEU33B, LYS15D, THR45B, TYR23D
• B-F: ALA30B, GLU22F, GLU34B, LEU21B, LEU21F, LEU26B, LEU29B, LEU33B, LYS25B, LYS25F, LYS31B, PRO27B, PRO27F, TYR23F
• B-G: ASP1G, GLU19B, GLU22B, GLU5G, LEU21B, LEU3G, LEU6G, LYS25B, TYR23B, TYR2G, VAL24B
• B-H: ALA20B, ALA20H, ARG18B, ARG18H, GLN16B, GLN16H, GLU19B, GLU19H, GLU22B, GLU22H, LEU21B, LEU21H, LEU26B, LEU29B, LEU29H, LYS15B, LYS15H, LYS25B, LYS25H, TYR17B, TYR17H, TYR23B, TYR23H, VAL24B, VAL24H
• C-D: ALA20C, ALA20D, ALA30C, ALA30D, ARG18C, ARG18D, ARG4D, ASP1D, ASP35C, ASP35D, GLN12C, GLN12D, GLN16C, GLN16D, GLU10C, GLU10D, GLU19C, GLU19D, GLU22C, GLU34C, GLU34D, GLU36C, GLU36D, GLU37C, GLU37D, GLU41C, GLU41D, GLU44C, GLU44D, GLU5C, GLU5D, GLY13C, GLY13D, HIS39C, HIS39D, ILE14C, ILE14D, ILE32C, ILE32D, ILE40C, ILE40D, ILE46C, ILE46D, LEU11C, LEU11D, LEU21C, LEU21D, LEU26C, LEU26D, LEU29C, LEU29D, LEU33C, LEU33D, LEU3C, LEU3D, LEU43C, LEU43D, LEU47D, LEU6C, LEU6D, LEU7C, LEU7D, LEU9C, LEU9D, LYS15C, LYS15D, LYS25C, LYS25D, LYS31C, LYS31D, LYS38C, LYS38D, LYS8C, LYS8D, PRO27C, PRO27D, THR45C, THR45D, TRP42C, TRP42D, TYR17C, TYR17D, TYR23C, TYR23D, TYR2C, TYR2D, VAL24C, VAL24D, VAL28C, VAL28D
• C-E: GLU41C, GLU41E, GLU44C, GLU44E, GLY48C, GLY48E, HIS39C, ILE46C, ILE46E, LEU43C, LEU43E, LEU47C, LEU47E, LYS38C, LYS38E, THR45C, THR45E, TRP42C, TRP42E
• C-F: ALA30F, ARG4C, ASP1C, GLU44C, GLY48C, ILE32F, ILE46C, LEU26F, LEU29F, LEU3C, LEU43C, LEU47C, LYS25F, LYS31F, PRO27F, THR45C, TRP42C, TYR2C, VAL24F, VAL28F
• D-E: ALA30D, ARG4E, ASP1E, GLU44E, GLY48E, ILE32D, ILE46E, LEU26D, LEU29D, LEU3E, LEU43E, LEU47E, LYS25D, LYS31D, PRO27D, THR45E, TRP42E, TYR2E, VAL24D, VAL28D
• D-F: LEU26D, LEU26F, LEU29D, LEU29F, LYS25D, LYS25F, PRO27D, TYR23D, TYR23F, VAL24D, VAL24F, VAL28D, VAL28F
• E-F: ALA20E, ALA20F, ALA30E, ALA30F, ARG18E, ARG18F, ARG4E, ARG4F, ASP1F, ASP35E, ASP35F, GLN12E, GLN12F, GLN16E, GLN16F, GLU10E, GLU10F, GLU19E, GLU19F, GLU22E, GLU22F, GLU34E, GLU34F, GLU36E, GLU36F, GLU37E, GLU37F, GLU41E, GLU41F, GLU44E, GLU44F, GLU5E, GLU5F, GLY13E, GLY13F, HIS39E, HIS39F, ILE14E, ILE14F, ILE32E, ILE32F, ILE40E, ILE40F, ILE46E, ILE46F, LEU11E, LEU11F, LEU21E, LEU21F, LEU26E, LEU26F, LEU29E, LEU29F, LEU33E, LEU33F, LEU3E, LEU3F, LEU43E, LEU43F, LEU47F, LEU6E, LEU6F, LEU7E, LEU7F, LEU9E, LEU9F, LYS15E, LYS15F, LYS25E, LYS25F, LYS31E, LYS31F, LYS38E, LYS38F, LYS8E, LYS8F, PRO27E, PRO27F, THR45E, THR45F, TRP42E, TRP42F, TYR17E, TYR17F, TYR23E, TYR23F, TYR2E, TYR2F, VAL24E, VAL24F, VAL28E, VAL28F
• G-H: ALA20G, ALA20H, ALA30G, ALA30H, ARG18G, ARG18H, ASP35G, ASP35H, GLN12G, GLN12H, GLN16G, GLN16H, GLU10G, GLU10H, GLU19G, GLU19H, GLU34G, GLU34H, GLU36G, GLU36H, GLU37G, GLU37H, GLU41G, GLU41H, GLU44G, GLU44H, GLU5G, GLU5H, GLY13G, GLY13H, HIS39G, HIS39H, ILE14G, ILE14H, ILE32G, ILE32H, ILE40G, ILE40H, ILE46G, ILE46H, LEU11G, LEU21G, LEU21H, LEU26G, LEU26H, LEU29G, LEU29H, LEU33G, LEU33H, LEU3G, LEU3H, LEU43G, LEU43H, LEU47G, LEU6G, LEU6H, LEU7G, LEU7H, LEU9G, LEU9H, LYS15G, LYS15H, LYS25G, LYS25H, LYS31G, LYS31H, LYS38G, LYS38H, LYS8G, LYS8H, PRO27G, PRO27H, THR45G, THR45H, TRP42G, TRP42H, TYR17G, TYR17H, TYR23G, TYR23H, TYR2G, TYR2H, VAL24G, VAL24H, VAL28G, VAL28H