3BDU

crystal structure of protein q6d8g1 at the resolution 1.9 a. northeast structural genomics consortium target ewr22a.

• Total interactions analyzed: 21
• Total true interactions: 7
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 51
  • Norm. En. per Res.: -6.3114
• Hub Node: A(2)

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-C	-81.8571	-39.3169	-127.931	-249.1049	52	10	0	5081	8	24	21
A-E	-69.3603	-42.9475	-123.768	-236.0759	50	9	0	5002	8	25	17
B-D	-67.9707	-69.9158	-123.069	-260.9555	51	10	0	5015	7	24	20
B-G	-65.2953	-37.9534	-119.762	-223.0106	52	11	0	4985	7	24	19
C-G	-86.3781	-43.4421	-118.065	-247.8852	51	10	0	4773	9	25	20
D-F	-58.1071	-27.6478	-118.374	-204.129	49	8	0	4672	6	25	20
E-F	-98.4564	-98.7695	-124.654	-321.88	51	13	0	5077	9	24	21

Interface residues

• A-C: ALA51A, ARG13C, ARG44A, ARG44C, ASN10A, ASN10C, ASN43A, ASN43C, ASN46A, ASN46C, ASP11C, ASP24A, ASP24C, ASP25A, ASP25C, ASP34C, ASP45A, ASP45C, GLN38C, GLN39C, GLN40C, GLN41C, GLU26C, GLU49A, GLY12C, GLY28C, GLY37C, GLY53A, HIS8A, ILE15C, ILE30A, ILE30C, ILE42C, LEU7A, LYS20A, LYS22A, LYS48A, LYS52A, LYS54A, PRO21A, SER31A, SER31C, SER3A, THR27C, THR9C, TYR32C, TYR5A, VAL23A, VAL23C, VAL47A, VAL47C, VAL6A
• A-E: ALA51E, ARG13A, ARG44A, ARG44E, ASN10A, ASN10E, ASN43A, ASN43E, ASN46A, ASN46E, ASP11A, ASP24A, ASP24E, ASP25A, ASP25E, ASP34A, ASP45A, ASP45E, GLN38A, GLN39A, GLN40A, GLN41A, GLU26A, GLU49E, GLY28A, GLY37A, GLY53E, HIS8E, ILE15A, ILE30A, ILE30E, ILE42A, LEU7E, LYS20E, LYS22E, LYS48E, LYS52E, LYS54E, PRO21E, SER31A, SER31E, THR27A, THR9A, TYR32A, TYR5E, VAL23A, VAL23E, VAL47A, VAL47E, VAL6E
• B-D: ALA51B, ARG13D, ARG44B, ARG44D, ASN10B, ASN10D, ASN43B, ASN43D, ASN46B, ASN46D, ASN4B, ASP11D, ASP24B, ASP24D, ASP25B, ASP25D, ASP34D, ASP45B, ASP45D, GLN38D, GLN39D, GLN40D, GLN41D, GLU26D, GLU49B, GLY28D, GLY37D, GLY53B, HIS8B, ILE15D, ILE30B, ILE30D, ILE42D, LEU7B, LYS20B, LYS22B, LYS48B, LYS52B, PRO21B, SER31B, SER31D, SER3B, THR27D, THR9D, TYR32D, TYR5B, VAL23B, VAL23D, VAL47B, VAL47D, VAL6B
• B-G: ALA51G, ARG13B, ARG44B, ARG44G, ASN10B, ASN10G, ASN43B, ASN43G, ASN46B, ASN46G, ASN4G, ASP11B, ASP24B, ASP24G, ASP25B, ASP25G, ASP34B, ASP45B, ASP45G, GLN38B, GLN39B, GLN40B, GLN41B, GLU26B, GLU49G, GLY28B, GLY37B, GLY53G, HIS8G, ILE15B, ILE30B, ILE30G, ILE42B, LEU7G, LYS20G, LYS22G, LYS48G, LYS52G, PRO21G, SER31B, SER31G, SER3G, THR27B, THR33B, THR9B, TYR32B, TYR5G, VAL23B, VAL23G, VAL47B, VAL47G, VAL6G
• C-G: ALA51C, ARG13G, ARG44C, ARG44G, ASN10C, ASN10G, ASN43C, ASN43G, ASN46C, ASN46G, ASN4C, ASP11G, ASP24C, ASP24G, ASP25C, ASP25G, ASP34G, ASP45C, ASP45G, GLN38G, GLN39G, GLN40G, GLN41G, GLU26G, GLU49C, GLY12G, GLY28G, GLY53C, HIS8C, ILE15G, ILE30C, ILE30G, ILE42G, LEU7C, LYS20C, LYS22C, LYS48C, LYS52C, PRO21C, SER31C, SER31G, SER3C, THR27G, THR9G, TYR32G, TYR5C, VAL23C, VAL23G, VAL47C, VAL47G, VAL6C
• D-F: ALA51D, ARG13F, ARG44D, ARG44F, ASN10D, ASN43D, ASN43F, ASN46D, ASN46F, ASN4D, ASP11F, ASP24D, ASP24F, ASP25F, ASP34F, ASP45D, ASP45F, GLN38F, GLN39F, GLN40F, GLN41F, GLU26F, GLU49D, GLY28F, GLY37F, GLY53D, HIS8D, ILE15F, ILE30D, ILE30F, ILE42F, LEU7D, LYS20D, LYS22D, LYS48D, LYS52D, PRO21D, SER31D, SER31F, SER3D, THR27F, THR9F, TYR32F, TYR5D, VAL23D, VAL23F, VAL47D, VAL47F, VAL6D
• E-F: ALA51F, ARG13E, ARG44E, ARG44F, ASN10E, ASN10F, ASN43E, ASN43F, ASN46E, ASN46F, ASP11E, ASP24E, ASP24F, ASP25E, ASP25F, ASP34E, ASP45E, ASP45F, GLN38E, GLN39E, GLN40E, GLN41E, GLU26E, GLU49F, GLY28E, GLY37E, GLY53F, HIS8F, ILE15E, ILE30E, ILE30F, ILE42E, LEU7F, LYS20F, LYS22F, LYS48F, LYS52F, PRO21F, SER31E, SER31F, SER3F, THR27E, THR33E, THR9E, TYR32E, TYR5F, VAL23E, VAL23F, VAL47E, VAL47F, VAL6F