3FRW

crystal structure of putative trpr protein from ruminococcus obeum

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -7.2101
• Hub Node: A(6)

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	-152.2772	-72.0149	-741.867	-966.1591	134	24	25	26788	24	85	72
A-C	-4.5752	2.3531	-51.8777	-54.0998	34	0	1	2066	0	7	4
A-D	0.0	0.0	-35.0556	-35.0556	23	1	0	1463	0	7	2
A-E	0.0	-3.9461	-0.0057	-3.9518	4	0	0	3	0	3	1
A-F	0.0	-2.3043	-0.0712	-2.3755	6	0	0	50	0	7	3
A-H	0.0	6.6636	-31.3434	-24.6798	13	0	0	957	0	4	4
B-C	0.0	0.0	-0.0029	-0.0029	4	0	0	2	0	2	1
B-F	0.0	-3.5618	-2.4187	-5.9805	14	0	0	434	0	6	4
B-G	-10.6003	0.0	-19.3841	-29.9844	18	1	0	736	0	5	4
B-H	-35.1729	2.8756	-126.388	-158.6852	54	7	0	5209	0	24	25
C-D	-120.1822	-111.1115	-666.358	-897.6517	136	25	19	24089	25	80	79
C-E	-9.8315	0.0	-22.167	-31.9985	19	1	0	826	0	5	4
D-E	-16.8468	25.5309	-123.794	-115.1099	48	7	0	4774	0	19	22
D-F	0.0	0.0	-0.0535	-0.0535	6	0	0	26	0	3	0
E-F	-120.4166	-102.2622	-693.254	-915.9328	136	19	25	25571	24	85	73
F-G	0.0	0.0	-27.1314	-27.1314	30	0	1	1450	0	7	4
F-H	-6.1484	-48.8038	-51.7887	-106.7409	23	4	0	1763	3	6	2
G-H	-105.5886	-112.519	-658.176	-876.2836	130	23	19	23627	25	78	75

Interface residues

• A-B: ALA16A, ALA16B, ALA49A, ALA49B, ARG45A, ARG45B, ARG6A, ARG6B, ARG74A, ARG74B, ARG77B, ARG92A, ARG92B, ASN22A, ASN22B, ASN37A, ASN37B, ASN83A, ASN83B, ASP11A, ASP11B, ASP32A, ASP32B, ASP84A, ASP84B, CYS19A, CYS19B, CYS26A, CYS26B, CYS34A, CYS34B, GLN44A, GLN44B, GLU15A, GLU15B, GLU24A, GLU24B, GLU25A, GLU25B, GLU31A, GLU31B, GLU38A, GLU38B, GLU47A, GLU47B, GLU87A, GLU87B, GLU8A, GLU8B, GLU95B, GLU97A, GLU9A, GLU9B, GLY2B, GLY82A, GLY82B, GLY85A, GLY85B, HIS12A, HIS12B, ILE17A, ILE17B, ILE36A, ILE36B, ILE5A, ILE5B, LEU13A, LEU13B, LEU18A, LEU18B, LEU20A, LEU20B, LEU39A, LEU39B, LEU40A, LEU40B, LEU42A, LEU42B, LEU79A, LEU79B, LYS21A, LYS21B, LYS23A, LYS23B, LYS3B, LYS4B, LYS50A, LYS50B, LYS64A, LYS64B, LYS94B, LYS96A, LYS96B, PHE14A, PHE14B, PHE29A, PHE29B, PHE30A, PHE30B, PHE46A, PHE46B, PHE90A, PHE90B, SER41A, SER41B, SER43A, SER43B, SER78A, SER78B, SER91A, THR28A, THR28B, THR35A, THR35B, THR65A, THR65B, THR7A, THR7B, TYR27A, TYR27B, TYR81A, TYR81B, TYR86A, TYR86B, VAL10A, VAL10B, VAL33A, VAL33B, VAL48A, VAL48B, VAL75A, VAL75B, VAL89A, VAL89B
• A-C: ARG56A, ARG6C, ARG77A, ARG77C, ASN76A, ASN80A, ASN80C, ASN83A, ASP11C, ASP54A, ASP60A, ASP84A, ASP84C, GLU8C, GLU9C, GLY82A, GLY82C, ILE61A, ILE72A, LEU52A, LEU59A, LEU79A, LYS55A, PHE14C, SER73A, SER78A, THR53A, THR57A, THR69A, THR7C, TYR58A, TYR81A, TYR81C, VAL10C
• A-D: ALA70A, ARG74A, ARG77A, ASN37D, ASN76A, ASN80A, CYS34D, GLU24D, GLU31D, GLY82A, ILE36D, LEU39D, LEU40D, LEU79A, LYS23D, PHE30D, SER43D, SER73A, THR28D, THR35D, TYR27D, TYR58A, TYR81A
• A-E: ARG6A, GLU63E, GLY66E, ILE5A
• A-F: GLU8A, GLU9A, ILE5A, LYS3F, LYS4F, THR7A
• A-H: ASN37A, CYS34A, GLU31A, GLU38A, GLU95H, GLU97H, ILE36A, LEU39A, LEU40A, LYS94H, LYS96H, THR35A, THR98H
• B-C: ARG6C, ASP32B, GLU8C, ILE36B
• B-F: ALA67B, ARG6F, ASN37B, GLN44B, GLU47B, GLU63B, GLY66B, ILE36B, LEU40B, LYS3F, LYS4F, LYS64B, SER41B, THR65B
• B-G: ALA67B, ALA70B, ARG6G, ARG74B, ASP11G, GLU15G, GLU8G, GLU9G, GLY66B, HIS12G, ILE72B, LEU13G, SER62B, SER68B, SER73B, THR69B, THR71B, TYR58B
• B-H: ALA49H, ALA67B, ALA70B, ARG45B, ARG56B, ARG56H, ARG74B, ARG77B, ASN76B, ASN80B, ASP54H, ASP60B, ASP60H, GLU47H, GLU63B, GLU63H, GLU95H, GLU97H, GLY2B, GLY66H, ILE61B, ILE61H, ILE72B, LEU52B, LEU52H, LEU59B, LEU59H, LEU79B, LYS3B, LYS4B, LYS50H, LYS55B, LYS55H, LYS64H, LYS94H, LYS96H, PHE46H, PHE90H, SER62B, SER62H, SER68B, SER73B, SER78B, THR53B, THR53H, THR57B, THR57H, THR65H, THR69B, THR71B, THR98H, TYR58B, TYR81B, VAL48H
• C-D: ALA16C, ALA16D, ALA49C, ALA49D, ALA67C, ARG45C, ARG45D, ARG6C, ARG6D, ARG74C, ARG74D, ARG77C, ARG92C, ARG92D, ASN22C, ASN22D, ASN37D, ASN83C, ASN83D, ASP11C, ASP11D, ASP32C, ASP32D, ASP84C, ASP84D, CYS19C, CYS19D, CYS26C, CYS26D, CYS34C, CYS34D, GLN44C, GLN44D, GLU15C, GLU15D, GLU24C, GLU24D, GLU25C, GLU25D, GLU31C, GLU31D, GLU38C, GLU38D, GLU47C, GLU47D, GLU63C, GLU87C, GLU87D, GLU8C, GLU8D, GLU95C, GLU95D, GLU97C, GLU9C, GLU9D, GLY66C, GLY82C, GLY82D, GLY85C, GLY85D, HIS12C, HIS12D, ILE17C, ILE17D, ILE36C, ILE36D, ILE5D, ILE61C, LEU13C, LEU13D, LEU18C, LEU18D, LEU20C, LEU20D, LEU39C, LEU39D, LEU40C, LEU40D, LEU42C, LEU42D, LEU79C, LEU79D, LYS21C, LYS21D, LYS23C, LYS23D, LYS50C, LYS50D, LYS64C, LYS64D, LYS94C, LYS94D, LYS96C, LYS96D, PHE14C, PHE14D, PHE29C, PHE29D, PHE30C, PHE30D, PHE46C, PHE46D, PHE90C, PHE90D, SER41C, SER41D, SER43C, SER43D, SER78C, SER78D, SER91C, SER91D, THR28C, THR28D, THR35C, THR35D, THR65C, THR65D, THR7C, THR7D, TYR27C, TYR27D, TYR81C, TYR81D, TYR86C, TYR86D, VAL10C, VAL10D, VAL33C, VAL33D, VAL48C, VAL48D, VAL75C, VAL75D, VAL89C, VAL89D
• C-E: ALA67E, ALA70E, ARG6C, ARG74E, ASP11C, GLU15C, GLU8C, GLU9C, GLY66E, HIS12C, ILE72E, LEU13C, SER62E, SER68E, SER73E, THR69E, THR71E, THR7C, TYR58E
• D-E: ALA49D, ALA67E, ALA70E, ARG56D, ARG56E, ARG74E, ARG77E, ASN76E, ASN80E, ASP54D, ASP60D, ASP60E, GLU47D, GLU63D, GLU63E, GLU95D, GLY66D, ILE61D, ILE61E, ILE72E, LEU52D, LEU52E, LEU59D, LEU59E, LEU79E, LYS50D, LYS55D, LYS55E, LYS64D, LYS94D, LYS96D, PHE46D, PHE90D, SER62D, SER62E, SER68E, SER73E, SER91D, THR53D, THR53E, THR57D, THR57E, THR65D, THR69E, THR71E, TYR58E, TYR81E, VAL48D
• D-F: ASN37F, GLU95D, ILE36F, LYS94D, LYS96D, THR35F
• E-F: ALA16E, ALA16F, ALA49E, ALA49F, ARG45E, ARG45F, ARG6E, ARG6F, ARG74E, ARG74F, ARG77E, ARG92E, ARG92F, ASN22E, ASN22F, ASN37E, ASN37F, ASN83E, ASN83F, ASP11E, ASP11F, ASP32E, ASP32F, ASP84E, ASP84F, CYS19E, CYS19F, CYS26E, CYS26F, CYS34E, CYS34F, GLN44E, GLN44F, GLU15E, GLU15F, GLU24E, GLU24F, GLU25E, GLU25F, GLU31E, GLU31F, GLU38E, GLU38F, GLU47E, GLU47F, GLU87E, GLU87F, GLU8E, GLU8F, GLU95E, GLU95F, GLU97E, GLU9E, GLU9F, GLY82E, GLY82F, GLY85E, GLY85F, HIS12E, HIS12F, ILE17E, ILE17F, ILE36E, ILE36F, ILE5E, ILE5F, LEU13E, LEU13F, LEU18E, LEU18F, LEU20E, LEU20F, LEU39E, LEU39F, LEU40E, LEU40F, LEU42E, LEU42F, LEU79E, LEU79F, LYS21E, LYS21F, LYS23E, LYS23F, LYS3F, LYS4E, LYS4F, LYS50E, LYS50F, LYS64E, LYS64F, LYS94E, LYS94F, LYS96E, LYS96F, PHE14E, PHE14F, PHE29E, PHE29F, PHE30E, PHE30F, PHE46E, PHE46F, PHE90E, PHE90F, SER41E, SER41F, SER43E, SER43F, SER78E, SER78F, SER91E, SER91F, THR28E, THR28F, THR35E, THR35F, THR65E, THR65F, THR7E, THR7F, TYR27E, TYR27F, TYR81E, TYR81F, TYR86E, TYR86F, VAL10E, VAL10F, VAL33E, VAL33F, VAL48F, VAL75E, VAL75F, VAL89E, VAL89F
• F-G: ARG56F, ARG6G, ARG77F, ARG77G, ASN76F, ASN80F, ASN80G, ASN83F, ASN83G, ASP11G, ASP84F, ASP84G, GLU8G, GLU9G, GLY82F, GLY82G, LEU59F, LEU79F, LYS3F, LYS55F, PHE14G, SER73F, SER78F, THR57F, THR69F, THR7G, TYR58F, TYR81F, TYR81G, VAL10G
• F-H: ARG74F, ARG77F, ASN37H, ASN76F, ASN80F, CYS26H, GLU24H, GLU25H, GLU31H, ILE36H, LEU39H, LEU40H, LEU79F, LYS23H, PHE29H, PHE30H, SER43H, SER73F, THR28H, THR35H, TYR27H, TYR58F, TYR81F
• G-H: ALA16G, ALA16H, ALA49G, ALA49H, ARG45G, ARG45H, ARG6G, ARG6H, ARG74G, ARG74H, ARG77G, ARG92G, ARG92H, ASN22G, ASN22H, ASN37H, ASN83G, ASN83H, ASP11G, ASP11H, ASP32G, ASP32H, ASP84G, ASP84H, CYS19G, CYS19H, CYS26G, CYS26H, CYS34G, CYS34H, GLN44G, GLN44H, GLU15G, GLU15H, GLU24G, GLU24H, GLU25G, GLU25H, GLU31G, GLU31H, GLU38G, GLU38H, GLU47G, GLU47H, GLU87G, GLU87H, GLU8G, GLU8H, GLU95G, GLU95H, GLU97G, GLU9G, GLU9H, GLY82G, GLY82H, GLY85G, GLY85H, HIS12G, HIS12H, ILE17G, ILE17H, ILE36G, ILE36H, LEU13G, LEU13H, LEU18G, LEU18H, LEU20G, LEU20H, LEU39G, LEU39H, LEU40G, LEU40H, LEU42G, LEU42H, LEU79G, LEU79H, LYS21G, LYS21H, LYS23G, LYS23H, LYS50G, LYS50H, LYS64G, LYS64H, LYS94G, LYS94H, LYS96G, LYS96H, PHE14G, PHE14H, PHE29G, PHE29H, PHE30G, PHE30H, PHE46G, PHE46H, PHE90G, PHE90H, SER41G, SER41H, SER43G, SER43H, SER78G, SER78H, SER91H, THR28G, THR28H, THR35G, THR35H, THR65G, THR65H, THR7G, THR7H, TYR27G, TYR27H, TYR81G, TYR81H, TYR86G, TYR86H, VAL10G, VAL10H, VAL33G, VAL33H, VAL48G, VAL48H, VAL75G, VAL75H, VAL89G, VAL89H