3DL3

crystal structure of the tellurite resistance protein tehb. northeast structural genomics consortium target vfr98 .

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 11
  • Norm. En. per Res.: -3.6486
• Hub Node: A(4)

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	0.0	-5.3134	-57.1856	-62.499	37	2	0	2905	0	11	7
A-E	-22.5315	-0.8589	-63.9228	-87.3132	36	1	0	2657	0	14	14
A-G	0.0	10.5061	-0.5355	9.9706	4	0	0	43	0	2	4
A-H	0.0	33.9551	-24.8719	9.0832	23	2	0	1120	0	7	7
B-D	-46.599	12.6354	-78.3484	-112.312	45	6	2	3430	0	6	12
B-E	-43.4187	-26.7639	-221.711	-291.8936	90	15	1	8464	0	13	3
B-H	0.0	0.0	-0.1744	-0.1744	2	0	0	12	0	0	6
D-E	0.0	-8.5076	-14.8226	-23.3302	14	0	1	655	0	6	3
E-G	0.0	0.0	-27.9494	-27.9494	31	2	0	1423	0	8	6
E-H	-2.4649	-28.2359	-9.4336	-40.1344	11	0	0	343	1	7	2
G-H	-29.9895	1.3354	-52.2638	-80.918	33	5	2	2611	0	6	9
G-F	0.0	-26.4109	-2.6173	-29.0282	12	0	0	267	0	7	2
G-I	-15.8474	-11.3596	-206.019	-233.226	80	6	1	7842	0	11	3
H-F	-2.7186	0.0	-26.5584	-29.277	28	4	0	1251	0	7	5
H-I	0.0	-8.8109	-0.2939	-9.1048	6	0	0	43	0	3	0
F-I	-48.0675	0.9098	-63.1255	-110.2832	45	9	3	3179	0	7	16

Interface residues

• A-B: ALA27A, ALA27B, ALA59A, ARG14B, ARG83A, ASN23B, ASN33A, ASN56A, ASN95B, ASP22B, GLN13B, GLN79A, GLN91B, GLU26A, GLU26B, GLU58A, GLU61A, HIS31A, HIS32A, HIS82A, ILE94B, LEU28B, LEU29A, PHE18B, PHE19B, PHE54A, PHE96B, PRO17B, PRO25B, SER15B, SER57A, THR16B, THR20B, THR30A, THR60A, TRP81A, VAL24B
• A-E: ALA27A, ARG5E, ARG83A, ASN9E, ASP101E, ASP37E, ASP88A, ASP99E, GLN100E, GLN13E, GLU26A, GLU85A, HIS31A, ILE12E, ILE6E, ILE84A, LEU28A, LEU29A, LEU86A, LYS102E, LYS21A, LYS65A, LYS8E, PHE54A, PRO25A, PRO7E, SER103E, SER87A, SER98E, THR11E, THR30A, THR50A, THR60A, TRP10E, TYR52A, VAL24A
• A-G: ASP22A, ASP88A, GLU61G, THR60G
• A-H: ALA27A, ASN23A, ASP22A, ASP88H, ASP89H, GLU26A, GLU46H, GLU85H, GLY47H, LEU28A, LEU86H, LYS21A, LYS21H, LYS65H, PHE19A, PRO17A, PRO25A, SER87H, THR20A, THR50H, TYR52H, VAL24A, VAL48H
• B-D: ALA55B, ALA55D, ARG5B, ARG5D, ASN69B, ASN69D, GLN72B, GLN72D, GLU61B, GLU61D, GLU63B, GLU63D, GLY53B, GLY53D, ILE64B, ILE64D, ILE68B, ILE68D, ILE6B, ILE6D, LEU4B, LEU4D, LYS65B, LYS65D, LYS8B, LYS8D, PHE54D, PHE73D, PRO62B, PRO62D, PRO7B, PRO7D, THR50B, THR50D, THR75D, TYR51B, TYR51D, TYR52B, TYR52D, TYR80B, TYR80D, VAL66B, VAL66D, VAL67B, VAL67D
• B-E: ALA70B, ALA70E, ALA74B, ALA74E, ALA90B, ALA90E, ARG14B, ARG14E, ARG5B, ARG5E, ASN23B, ASN23E, ASN69B, ASN69E, ASN93B, ASN93E, ASN95B, ASN95E, ASN9B, ASN9E, ASP22B, ASP22E, ASP88B, ASP89B, ASP89E, CYS43B, CYS43E, GLN13B, GLN13E, GLN41B, GLN41E, GLN72B, GLN72E, GLN91B, GLN91E, GLU46B, GLU46E, GLY47B, GLY71B, GLY71E, HIS3E, ILE12B, ILE12E, ILE42B, ILE42E, ILE68B, ILE68E, ILE6B, ILE6E, ILE94B, ILE94E, LEU4E, LYS21B, LYS21E, LYS8B, LYS8E, PHE18B, PHE18E, PHE19B, PHE19E, PHE39B, PHE39E, PHE73B, PHE73E, PHE92B, PHE92E, PHE96B, PHE96E, PRO17B, PRO17E, PRO7B, PRO7E, SER15B, SER15E, SER2E, SER98E, THR11B, THR11E, THR16B, THR16E, THR20B, THR20E, THR75B, THR75E, TRP10B, TRP10E, TRP97B, TRP97E, VAL44B, VAL44E
• B-H: GLU46B, GLU46H
• D-E: ALA70E, ARG5D, ASN69E, ASP89E, GLN91E, GLU46E, GLY47E, GLY71E, ILE6D, LEU4D, PHE39D, PRO7D, VAL44E, VAL48E
• E-G: ALA35E, ALA55E, ALA55G, ALA59E, ALA59G, ASN109E, ASN33E, ASN33G, ASN56E, ASN56G, ASP37E, GLN79E, GLN79G, GLU58E, GLU58G, GLU61G, LYS106E, LYS111E, PRO78E, PRO78G, SER57E, SER57G, THR34E, THR60E, THR60G, TRP81E, TRP81G, TYR80E, TYR80G, VAL36E, VAL36G
• E-H: ALA70H, ARG5E, ASN69H, ASP89H, GLU46H, GLY47H, GLY71H, LEU4E, LYS8E, PRO7E, VAL44H
• G-H: ALA55G, ALA55H, ASN69G, ASN69H, GLN72G, GLN72H, GLU61G, GLU61H, GLU63G, GLU63H, GLY53G, GLY53H, ILE64G, ILE64H, ILE68G, ILE68H, LYS65G, LYS65H, PHE54H, PRO62G, PRO62H, THR50G, THR50H, TYR51G, TYR51H, TYR52G, TYR52H, TYR80H, VAL48H, VAL66G, VAL66H, VAL67G, VAL67H
• G-F: ALA70G, ARG5F, ASN69G, ASP88G, ASP89G, GLU46G, GLY47G, GLY71G, LEU4F, LYS8F, PRO7F, SER2F
• G-I: ALA70G, ALA70I, ALA74G, ALA74I, ARG14G, ARG14I, ARG5I, ASN23G, ASN23I, ASN69G, ASN69I, ASN93G, ASN93I, ASN95G, ASN95I, ASN9G, ASN9I, ASP22G, CYS43G, CYS43I, GLN100I, GLN13G, GLN13I, GLN41G, GLN41I, GLN72G, GLN72I, GLN91G, GLN91I, GLU46G, GLU46I, GLY71G, GLY71I, HIS3I, ILE12G, ILE12I, ILE42G, ILE42I, ILE68G, ILE68I, ILE6G, ILE6I, ILE94G, ILE94I, LYS21G, LYS8G, LYS8I, PHE18G, PHE18I, PHE19G, PHE19I, PHE39G, PHE39I, PHE73G, PHE73I, PHE92G, PHE92I, PHE96G, PHE96I, PRO17G, PRO17I, PRO7G, PRO7I, SER15G, SER15I, SER98G, THR11G, THR11I, THR16G, THR16I, THR20G, THR20I, THR75G, THR75I, TRP10G, TRP10I, TRP97G, TRP97I, VAL44G, VAL44I
• H-F: ALA35F, ALA55F, ALA55H, ALA59F, ALA59H, ASN109F, ASN33F, ASN33H, ASN56F, ASN56H, ASP37F, GLN79F, GLN79H, GLU58F, GLU58H, GLU61H, PRO78F, PRO78H, SER57F, SER57H, THR34F, THR60H, TRP81F, TRP81H, TYR80F, TYR80H, VAL36F, VAL36H
• H-I: ALA70I, ARG5H, ASN69I, GLU46I, GLY47I, VAL48I
• F-I: ALA55F, ALA55I, ALA74I, ARG5F, ARG5I, ASN69F, ASN69I, GLN72F, GLN72I, GLU61F, GLU61I, GLU63F, GLU63I, GLY53F, GLY53I, HIS3F, ILE64F, ILE64I, ILE68F, ILE68I, LEU4F, LEU4I, LYS65F, LYS65I, PHE39I, PHE73I, PRO62F, PRO62I, PRO77I, SER2F, SER76I, THR50F, THR50I, THR75I, TYR51F, TYR51I, TYR52F, TYR52I, TYR80F, TYR80I, VAL48I, VAL66F, VAL66I, VAL67F, VAL67I