3RES

crystal structure of e coli hfq in complex with adp

• Total interactions analyzed: 66
• Total true interactions: 16
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 66
  • Norm. En. per Res.: -4.1146
• Hub Node: E(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	-78.9314	10.4917	-205.394	-273.8337	72	8	8	8335	0	1	5
A-F	-68.4584	10.1027	-194.798	-253.1538	63	7	8	7916	0	1	5
B-C	-68.6676	3.6006	-204.578	-269.645	69	8	8	7984	0	1	5
C-D	-76.3974	10.1379	-195.072	-261.3316	66	11	7	7914	0	1	5
D-E	-80.6861	10.7209	-201.599	-271.5643	66	9	7	7825	0	1	5
D-J	-9.9526	0.0	-107.896	-117.8486	34	4	3	4175	0	6	7
D-K	-8.7748	19.8884	-64.3141	-53.2005	35	5	0	2732	0	12	12
E-F	-68.1097	9.8841	-190.083	-248.3086	63	8	8	7643	0	1	5
E-J	-2.8919	23.3817	-61.1138	-40.624	36	5	0	2812	0	12	12
E-K	0.0	0.0	-0.2927	-0.2927	6	0	0	54	0	0	0
G-H	-74.372	10.1274	-196.473	-260.7176	65	11	6	7806	0	1	5
G-L	-83.6027	3.6358	-175.791	-255.7579	63	10	8	7086	0	1	5
H-I	-58.3512	3.4969	-178.531	-233.3853	65	7	8	7372	0	1	5
I-J	-65.8319	9.9355	-202.01	-257.9064	66	10	7	8108	0	1	5
J-K	-65.9912	10.8062	-203.875	-259.06	67	11	7	8059	0	1	5
K-L	-69.4628	9.5258	-177.056	-236.993	64	10	7	7039	0	1	5

Interface residues

• A-B: ALA58A, ALA58B, ARG16B, ASN28A, ASN28B, ASN48B, ASP40A, ASP40B, ASP9A, ASP9B, GLN41A, GLN41B, GLN52B, GLN5A, GLN8A, GLU37B, GLY29A, GLY29B, GLY4A, HIS57A, HIS57B, ILE24A, ILE24B, ILE30A, ILE30B, ILE36A, ILE36B, ILE44A, ILE44B, ILE59A, ILE59B, LEU12A, LEU15A, LEU26A, LEU26B, LEU32B, LEU45B, LEU46B, LEU7A, LYS56A, LYS56B, MET53B, PHE11A, PHE39A, PHE39B, PHE42A, PHE42B, PRO10A, PRO21A, PRO64A, SER23A, SER38B, SER51B, SER60A, SER65A, SER6A, THR49B, THR61A, TYR25A, TYR55A, TYR55B, VAL20A, VAL22A, VAL27A, VAL27B, VAL43A, VAL43B, VAL50B, VAL54A, VAL54B, VAL62A, VAL63A
• A-F: ALA58A, ALA58F, ASN13F, ASN28A, ASN28F, ASN48A, ASP40A, ASP40F, ASP9F, GLN41A, GLN41F, GLN52A, GLN8F, GLU37A, GLY29A, GLY29F, HIS57A, HIS57F, ILE24A, ILE24F, ILE30A, ILE30F, ILE36F, ILE44A, ILE44F, ILE59A, ILE59F, LEU12F, LEU15F, LEU26A, LEU26F, LEU32A, LEU45A, LEU46A, LEU7F, LYS56A, LYS56F, MET53A, PHE11F, PHE39A, PHE39F, PHE42A, PHE42F, PRO10F, PRO64F, SER23F, SER38A, SER51A, SER60F, SER65F, SER6F, THR61F, TYR25F, TYR55A, TYR55F, VAL27A, VAL27F, VAL43A, VAL43F, VAL50A, VAL54A, VAL62F, VAL63F
• B-C: ALA58B, ALA58C, ARG16C, ASN13B, ASN28B, ASN28C, ASN48C, ASP40B, ASP40C, ASP9B, GLN41B, GLN41C, GLN52C, GLN8B, GLU37C, GLY29B, GLY29C, HIS57B, HIS57C, ILE24B, ILE24C, ILE30B, ILE30C, ILE36B, ILE36C, ILE44B, ILE44C, ILE59B, ILE59C, LEU12B, LEU15B, LEU26B, LEU26C, LEU32C, LEU45C, LEU46C, LEU7B, LYS47C, LYS56B, LYS56C, MET53C, PHE11B, PHE39B, PHE39C, PHE42B, PHE42C, PRO10B, PRO64B, SER23B, SER38C, SER51C, SER60B, SER65B, SER6B, THR49C, THR61B, TYR25B, TYR55B, TYR55C, VAL20B, VAL22B, VAL27B, VAL27C, VAL43B, VAL43C, VAL50C, VAL54C, VAL62B, VAL63B
• C-D: ALA58C, ALA58D, ARG16D, ASN13C, ASN28C, ASN28D, ASN48D, ASP40C, ASP40D, ASP9C, GLN41C, GLN41D, GLN52D, GLN5C, GLN8C, GLU37D, GLY29C, GLY29D, HIS57C, HIS57D, ILE24C, ILE30C, ILE30D, ILE36C, ILE36D, ILE44C, ILE44D, ILE59C, ILE59D, LEU12C, LEU15C, LEU26C, LEU26D, LEU32D, LEU45D, LEU46D, LEU7C, LYS47D, LYS56C, LYS56D, MET53D, PHE11C, PHE39C, PHE39D, PHE42C, PHE42D, PRO10C, PRO64C, SER23C, SER38D, SER51D, SER60C, SER65C, SER6C, THR49D, THR61C, TYR25C, TYR55C, TYR55D, VAL27C, VAL27D, VAL43D, VAL50D, VAL54D, VAL62C, VAL63C
• D-E: ALA58D, ALA58E, ARG16E, ASN13D, ASN28D, ASN28E, ASN48E, ASP40D, ASP40E, ASP9D, GLN41D, GLN41E, GLN52E, GLN5D, GLN8D, GLU37E, GLY29D, HIS57D, HIS57E, ILE24D, ILE24E, ILE30D, ILE30E, ILE36D, ILE36E, ILE44D, ILE44E, ILE59D, ILE59E, LEU12D, LEU15D, LEU26D, LEU26E, LEU32E, LEU45E, LEU46E, LEU7D, LYS47E, LYS56D, LYS56E, MET53E, PHE11D, PHE39D, PHE39E, PHE42D, PHE42E, PRO10D, PRO64D, SER23D, SER38E, SER51E, SER60D, SER65D, SER6D, THR49E, THR61D, TYR25D, TYR55D, TYR55E, VAL27D, VAL27E, VAL43E, VAL50E, VAL54E, VAL62D, VAL63D
• D-J: ALA14D, ALA14J, ARG16D, ARG16J, ARG17D, ARG17J, ARG19D, ARG19J, ASN13D, ASN13J, ASP9D, ASP9J, GLN5D, GLN5J, GLN8D, GLN8J, GLU18D, GLU18J, LEU12D, LEU12J, LEU15D, LEU15J, LEU7D, LEU7J, PHE11D, PHE11J, PRO10D, PRO10J, PRO64D, PRO64J, SER6D, SER6J, VAL20D, VAL20J
• D-K: ALA14D, ARG16D, ARG16K, ARG17D, ARG17K, ARG19D, ARG19K, ASN13K, ASN48K, ASP40K, GLN35D, GLN35K, GLN41K, GLN52K, GLU18D, GLU37K, ILE36K, ILE44K, LEU15D, LEU45K, LEU46K, LYS47K, MET53K, PHE39K, PHE42K, PRO21D, PRO64D, SER38K, SER51K, SER65D, THR49K, VAL20D, VAL22D, VAL43K, VAL50K
• E-F: ALA58E, ALA58F, ASN28E, ASN28F, ASN48F, ASP40E, ASP40F, ASP9E, GLN41E, GLN41F, GLN52F, GLN8E, GLU37F, GLY29E, GLY29F, HIS57E, HIS57F, ILE24E, ILE24F, ILE30E, ILE30F, ILE36E, ILE44E, ILE44F, ILE59E, ILE59F, LEU12E, LEU15E, LEU26E, LEU26F, LEU32F, LEU45F, LEU46F, LEU7E, LYS47F, LYS56E, LYS56F, MET53F, PHE11E, PHE39E, PHE39F, PHE42E, PHE42F, PRO10E, PRO64E, SER23E, SER38F, SER51F, SER60E, SER65E, SER6E, THR49F, THR61E, TYR25E, TYR55E, TYR55F, VAL27E, VAL27F, VAL43F, VAL50F, VAL54F, VAL62E, VAL63E
• E-J: ALA14J, ARG16E, ARG16J, ARG17E, ARG17J, ARG19E, ARG19J, ASN13E, ASN48E, ASN48J, ASP40E, GLN35E, GLN35J, GLN41E, GLN52E, GLU18J, GLU37E, ILE36E, ILE44E, LEU15J, LEU45E, LEU46E, LYS47E, MET53E, PHE39E, PHE42E, PRO21J, PRO64J, SER38E, SER51E, SER65J, THR49E, VAL20J, VAL22J, VAL43E, VAL50E
• E-K: SER51E, SER51K, THR49E, THR49K, VAL50E, VAL50K
• G-H: ALA58G, ALA58H, ARG16H, ASN28G, ASN28H, ASN48H, ASP40G, ASP40H, ASP9G, GLN41G, GLN41H, GLN52H, GLN8G, GLU37H, GLY29G, GLY29H, HIS57G, HIS57H, ILE24G, ILE24H, ILE30G, ILE30H, ILE36G, ILE44G, ILE44H, ILE59G, ILE59H, LEU12G, LEU15G, LEU26G, LEU26H, LEU32H, LEU45H, LEU46H, LEU7G, LYS56G, LYS56H, MET53H, PHE11G, PHE39G, PHE39H, PHE42G, PHE42H, PRO10G, PRO64G, SER23G, SER38H, SER51H, SER60G, SER65G, SER6G, THR49H, THR61G, TYR25G, TYR55G, TYR55H, VAL20G, VAL27G, VAL27H, VAL43G, VAL43H, VAL50H, VAL54H, VAL62G, VAL63G
• G-L: ALA58G, ALA58L, ASN28G, ASN28L, ASN48G, ASP40G, ASP40L, ASP9L, GLN41G, GLN41L, GLN52G, GLN8L, GLU37G, GLY29G, GLY29L, HIS57G, HIS57L, ILE24G, ILE24L, ILE30G, ILE30L, ILE36L, ILE44G, ILE44L, ILE59G, ILE59L, LEU12L, LEU15L, LEU26G, LEU26L, LEU32G, LEU45G, LEU46G, LEU7L, LYS47G, LYS56G, LYS56L, MET53G, PHE11L, PHE39G, PHE39L, PHE42G, PHE42L, PRO10L, PRO64L, SER23L, SER38G, SER51G, SER60L, SER65L, SER6L, THR61L, TYR25L, TYR55G, TYR55L, VAL27G, VAL27L, VAL43G, VAL43L, VAL50G, VAL54G, VAL62L, VAL63L
• H-I: ALA58H, ALA58I, ASN13H, ASN28H, ASN28I, ASN48I, ASP40H, ASP40I, ASP9H, GLN41H, GLN41I, GLN52I, GLN8H, GLU37I, GLY29H, GLY29I, HIS57H, HIS57I, ILE24H, ILE24I, ILE30H, ILE30I, ILE36H, ILE44H, ILE44I, ILE59H, ILE59I, LEU12H, LEU15H, LEU26H, LEU26I, LEU32I, LEU45I, LEU46I, LEU7H, LYS47I, LYS56H, LYS56I, MET53I, PHE11H, PHE39H, PHE39I, PHE42H, PHE42I, PRO10H, PRO64H, SER23H, SER38I, SER51I, SER60H, SER6H, THR49I, THR61H, TYR25H, TYR55H, TYR55I, VAL22H, VAL27H, VAL27I, VAL43H, VAL43I, VAL50I, VAL54I, VAL62H, VAL63H
• I-J: ALA58I, ALA58J, ARG16J, ASN13I, ASN28I, ASN28J, ASN48J, ASP40I, ASP40J, ASP9I, GLN41I, GLN41J, GLN52J, GLN8I, GLU37J, GLY29I, GLY29J, HIS57I, HIS57J, ILE24I, ILE24J, ILE30I, ILE30J, ILE36I, ILE36J, ILE44I, ILE44J, ILE59I, ILE59J, LEU12I, LEU15I, LEU26I, LEU26J, LEU32J, LEU45J, LEU46J, LEU7I, LYS56I, LYS56J, MET53J, PHE11I, PHE39I, PHE39J, PHE42I, PHE42J, PRO10I, PRO64I, SER23I, SER38J, SER51J, SER60I, SER65I, SER6I, THR49J, THR61I, TYR25I, TYR55I, TYR55J, VAL27I, VAL27J, VAL43I, VAL43J, VAL50J, VAL54J, VAL62I, VAL63I
• J-K: ALA58J, ALA58K, ARG16K, ASN13J, ASN28J, ASN28K, ASN48K, ASP40J, ASP40K, ASP9J, GLN41J, GLN41K, GLN52K, GLN5J, GLN8J, GLU37K, GLY29J, HIS57J, HIS57K, ILE24J, ILE24K, ILE30J, ILE30K, ILE36J, ILE36K, ILE44J, ILE44K, ILE59J, ILE59K, LEU12J, LEU15J, LEU26J, LEU26K, LEU32K, LEU45K, LEU46K, LEU7J, LYS47K, LYS56J, LYS56K, MET53K, PHE11J, PHE39J, PHE39K, PHE42J, PHE42K, PRO10J, PRO64J, SER23J, SER38K, SER51K, SER60J, SER65J, SER6J, THR61J, TYR25J, TYR55J, TYR55K, VAL27J, VAL27K, VAL43J, VAL43K, VAL50K, VAL54J, VAL54K, VAL62J, VAL63J
• K-L: ALA58K, ALA58L, ARG16L, ASN28K, ASN28L, ASN48L, ASP40K, ASP40L, ASP9K, GLN41K, GLN41L, GLN52L, GLN8K, GLU37L, GLY29K, GLY29L, HIS57K, HIS57L, ILE24K, ILE24L, ILE30K, ILE30L, ILE36K, ILE44K, ILE44L, ILE59K, ILE59L, LEU12K, LEU15K, LEU26K, LEU26L, LEU32L, LEU45L, LEU46L, LEU7K, LYS47L, LYS56K, LYS56L, MET53L, PHE11K, PHE39K, PHE39L, PHE42K, PHE42L, PRO10K, PRO64K, SER23K, SER38L, SER51L, SER60K, SER6K, THR49L, THR61K, TYR25K, TYR55K, TYR55L, VAL27K, VAL27L, VAL43K, VAL43L, VAL50L, VAL54L, VAL62K, VAL63K