3HSB

crystal structure of ymah (hfq) from bacillus subtilis in complex with an rna aptamer

• Total interactions analyzed: 21
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 76
  • Norm. En. per Res.: -4.2033
• 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	-91.1845	11.8983	-233.962	-313.2482	78	16	7	9781	0	6	8
A-C	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	2
A-F	-82.0348	11.0903	-222.712	-293.6565	77	15	7	9013	0	5	8
B-C	-67.6677	10.8017	-216.308	-273.174	75	12	8	8811	0	4	7
B-D	0.0	0.0	-0.0023	-0.0023	3	0	0	6	0	0	2
B-F	0.0	0.0	-0.0066	-0.0066	2	0	0	5	0	0	2
C-D	-97.6177	11.1077	-223.69	-310.2001	77	12	7	9241	0	5	9
C-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	2
D-E	-88.2455	10.6339	-235.724	-313.3356	78	15	7	9610	0	4	8
D-F	0.0	0.0	-0.0023	-0.0023	4	0	0	7	0	0	2
E-F	-91.1131	11.0595	-239.396	-319.4496	76	22	8	9703	0	5	9

Interface residues

• A-B: ALA58A, ALA58B, ALA63B, ARG15A, ASN12B, ASN27A, ASN27B, ASN40A, ASN40B, ASN5B, ASN67B, ASP39A, ASP39B, ASP8B, GLN13B, GLN51A, GLN52A, GLN65B, GLN69B, GLN7B, GLN9B, GLU46A, GLU48A, GLY28A, GLY28B, GLY37A, GLY49A, HIS57A, HIS57B, ILE14B, ILE4B, ILE54A, ILE54B, ILE59A, ILE59B, ILE6B, LEU11B, LEU25A, LEU25B, LEU26A, LEU26B, LEU31A, LEU44A, LEU45A, LEU53A, LEU70B, LEU72B, LYS36A, LYS50A, LYS56A, LYS56B, LYS66B, PHE10B, PHE24B, PHE29A, PHE29B, PHE38A, PHE38B, PHE41A, PHE41B, PHE62B, PRO64B, SER47A, SER60B, THR22B, THR42A, THR42B, THR61B, TYR20B, TYR55A, TYR55B, VAL21B, VAL23A, VAL23B, VAL35A, VAL43A, VAL43B, VAL68B
• A-C: LEU26A, LEU26C
• A-F: ALA58A, ALA58F, ALA63A, ARG15F, ASN12A, ASN27A, ASN27F, ASN40A, ASN40F, ASN5A, ASN67A, ASP39A, ASP39F, ASP8A, GLN13A, GLN51F, GLN52F, GLN65A, GLN69A, GLN7A, GLN9A, GLU46F, GLU48F, GLU71A, GLY28A, GLY28F, GLY37F, GLY49F, HIS57A, HIS57F, ILE14A, ILE54A, ILE54F, ILE59A, ILE59F, ILE6A, LEU11A, LEU25A, LEU25F, LEU26A, LEU26F, LEU31F, LEU44F, LEU45F, LEU53F, LEU70A, LYS36F, LYS50F, LYS56A, LYS56F, LYS66A, PHE10A, PHE24A, PHE29A, PHE29F, PHE38A, PHE38F, PHE41A, PHE41F, PHE62A, PRO64A, SER47F, SER60A, THR19A, THR22A, THR42A, THR42F, THR61A, TYR55A, TYR55F, VAL21A, VAL23A, VAL23F, VAL35F, VAL43A, VAL43F, VAL68A
• B-C: ALA58B, ALA58C, ALA63C, ARG15B, ARG32C, ASN12C, ASN27B, ASN27C, ASN40B, ASN40C, ASN5C, ASN67C, ASP39B, ASP39C, ASP8C, GLN13C, GLN51B, GLN52B, GLN65C, GLN69C, GLN7C, GLN9C, GLU46B, GLU48B, GLY28B, GLY28C, GLY37B, GLY49B, HIS57B, HIS57C, ILE14C, ILE54B, ILE54C, ILE59B, ILE59C, ILE6C, LEU11C, LEU25B, LEU25C, LEU26B, LEU26C, LEU31B, LEU44B, LEU45B, LEU53B, LEU70C, LYS36B, LYS50B, LYS56B, LYS56C, LYS66C, PHE10C, PHE24C, PHE29B, PHE29C, PHE38B, PHE38C, PHE41B, PHE41C, PHE62C, PRO64C, SER47B, SER60C, THR22C, THR42B, THR42C, THR61C, TYR55B, TYR55C, VAL21C, VAL23B, VAL23C, VAL43B, VAL43C, VAL68C
• B-D: HIS57B, LEU26B, LEU26D
• B-F: LEU26B, LEU26F
• C-D: ALA58C, ALA58D, ALA63D, ARG15C, ARG32D, ASN27C, ASN27D, ASN40C, ASN40D, ASN5D, ASN67D, ASP39C, ASP39D, ASP8D, GLN51C, GLN52C, GLN65D, GLN69D, GLN7D, GLN9D, GLU46C, GLU48C, GLU71D, GLY28C, GLY28D, GLY37C, GLY49C, HIS57C, HIS57D, ILE14D, ILE54C, ILE54D, ILE59C, ILE59D, ILE6D, LEU11D, LEU25C, LEU25D, LEU26C, LEU26D, LEU31C, LEU44C, LEU45C, LEU53C, LEU70D, LYS36C, LYS50C, LYS56C, LYS56D, LYS66D, PHE10D, PHE24D, PHE29C, PHE29D, PHE38C, PHE38D, PHE41C, PHE41D, PHE62D, PRO64D, SER47C, SER60D, THR19D, THR22D, THR42C, THR42D, THR61D, TYR20D, TYR55C, TYR55D, VAL21D, VAL23C, VAL23D, VAL35C, VAL43C, VAL43D, VAL68D
• C-E: LEU26C, LEU26E
• D-E: ALA58D, ALA58E, ALA63E, ARG15D, ASN27D, ASN27E, ASN40D, ASN40E, ASN5E, ASN67E, ASP39D, ASP39E, ASP8E, GLN30E, GLN51D, GLN52D, GLN65E, GLN69E, GLN7E, GLN9E, GLU46D, GLU48D, GLY28D, GLY28E, GLY37D, GLY49D, HIS57D, HIS57E, ILE14E, ILE54D, ILE54E, ILE59D, ILE59E, ILE6E, LEU11E, LEU25D, LEU25E, LEU26D, LEU26E, LEU31D, LEU44D, LEU45D, LEU53D, LEU70E, LEU72E, LYS16D, LYS36D, LYS50D, LYS56D, LYS56E, LYS66E, PHE10E, PHE24E, PHE29D, PHE29E, PHE38D, PHE38E, PHE41D, PHE41E, PHE62E, PRO64E, SER47D, SER60D, SER60E, THR19E, THR22E, THR42D, THR42E, THR61E, TYR55D, TYR55E, VAL21E, VAL23D, VAL23E, VAL35D, VAL43D, VAL43E, VAL68E
• D-F: ASN27D, HIS57D, LEU26D, LEU26F
• E-F: ALA58E, ALA58F, ALA63F, ARG15E, ASN12F, ASN27E, ASN27F, ASN40E, ASN40F, ASN5F, ASN67F, ASP39E, ASP39F, ASP8F, GLN13F, GLN30F, GLN51E, GLN52E, GLN65F, GLN69F, GLN7F, GLN9F, GLU46E, GLU48E, GLY28E, GLY28F, GLY37E, GLY49E, HIS57E, HIS57F, ILE14F, ILE54E, ILE54F, ILE59E, ILE59F, ILE6F, LEU11F, LEU25E, LEU25F, LEU26E, LEU26F, LEU31E, LEU44E, LEU45E, LEU53E, LEU70F, LYS36E, LYS50E, LYS56E, LYS56F, LYS66F, PHE10F, PHE24F, PHE29E, PHE29F, PHE38E, PHE38F, PHE41E, PHE41F, PHE62F, PRO64F, SER47E, SER60F, THR22F, THR42E, THR42F, THR61F, TYR55E, TYR55F, VAL21F, VAL23E, VAL23F, VAL35E, VAL43E, VAL43F, VAL68F