2AP6

x-ray crystal structure of protein atu4242 from agrobacterium tumefaciens. northeast strucutral genomics consortium target atr43.

• Total interactions analyzed: 28
• Total true interactions: 24
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 104
  • Norm. En. per Res.: -6.4405
• 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	-154.2201	-97.6738	-404.139	-656.0329	104	40	16	15820	7	24	26
A-C	0.0	0.0	-0.007	-0.007	4	0	0	10	0	4	1
A-E	0.0	0.0	-8.9531	-8.9531	8	0	1	441	0	0	1
A-F	-37.8729	-17.2445	-136.924	-192.0413	48	8	2	4944	3	16	16
A-G	-39.8527	-11.3344	-131.304	-182.4911	47	8	2	4858	3	16	16
A-H	-16.6168	34.0366	-44.3686	-26.9488	32	1	3	1746	0	16	19
B-D	0.0	0.0	-0.007	-0.007	4	0	0	10	0	4	1
B-E	-35.3379	-17.3734	-131.988	-184.6993	48	8	2	4885	3	16	16
B-F	-11.5593	36.2048	-41.3241	-16.6785	30	2	3	1683	0	14	19
B-G	0.0	0.0	-9.4122	-9.4122	8	0	1	450	0	0	1
B-H	-40.9275	-12.2794	-130.258	-183.4649	48	8	2	4834	3	17	16
C-D	-159.0315	-98.5254	-399.861	-657.418	103	37	16	15800	8	24	26
C-E	0.0	40.2741	-40.5035	-0.2294	30	2	3	1576	0	14	18
C-F	-31.5208	-10.5237	-115.582	-157.6265	45	8	2	4624	3	15	15
C-G	-35.7438	-11.2068	-132.303	-179.2536	47	9	2	4895	3	16	16
C-H	0.0	0.0	-9.128	-9.128	8	0	1	447	0	0	1
D-E	-30.1684	-12.0659	-124.022	-166.2563	48	8	2	4761	3	16	16
D-F	0.0	0.0	-8.8142	-8.8142	8	0	1	427	0	0	1
D-G	-10.8021	35.5249	-49.157	-24.4342	32	2	3	1800	0	15	20
D-H	-42.528	-17.8435	-140.941	-201.3126	49	8	2	5116	3	17	16
E-F	-159.688	-98.149	-411.972	-669.8091	104	37	16	15794	8	24	26
E-H	0.0	0.0	-0.0067	-0.0067	4	0	0	9	0	4	1
F-G	0.0	0.0	-0.0063	-0.0063	3	0	0	8	0	4	1
G-H	-154.3959	-96.5522	-390.584	-641.5321	102	35	16	15473	7	24	26

Interface residues

• A-B: ALA56A, ALA56B, ALA98A, ALA98B, ARG63A, ARG63B, ARG6A, ARG99A, ARG99B, ASN92A, ASN92B, ASP24A, ASP24B, GLN30A, GLN30B, GLU23A, GLU23B, GLU28A, GLU28B, GLU36A, GLU36B, GLU44A, GLU44B, GLU4A, GLU4B, GLU50A, GLU50B, GLU91A, GLU91B, GLY39A, GLY39B, GLY46A, GLY46B, HIS53A, HIS53B, ILE15A, ILE15B, ILE27A, ILE27B, ILE45A, ILE45B, ILE51A, ILE51B, ILE54A, ILE54B, ILE5A, ILE5B, ILE94A, ILE94B, LEU103A, LEU103B, LEU19A, LEU19B, LEU37A, LEU37B, LEU60A, LEU60B, LYS20A, LYS20B, LYS31A, LYS31B, LYS93A, LYS93B, LYS96A, LYS96B, PHE100A, PHE100B, PHE2A, PHE2B, PHE41A, PHE41B, PHE42A, PHE42B, PRO102A, PRO102B, PRO16B, PRO47A, PRO47B, PRO97A, PRO97B, SER101A, SER101B, SER43A, SER43B, THR7A, THR7B, TRP55A, TRP55B, TYR18A, TYR18B, TYR3A, TYR3B, TYR40A, TYR40B, TYR8A, TYR8B, VAL21A, VAL21B, VAL22A, VAL22B, VAL38A, VAL38B, VAL52A, VAL52B
• A-C: ARG9A, ARG9C, VAL89A, VAL89C
• A-E: GLU44A, GLU44E, GLY46A, GLY46E, ILE45A, ILE45E, PRO47A, PRO47E
• A-F: ALA14A, ALA17A, ALA64F, ALA90F, ARG63F, ARG67F, ARG6F, ARG84F, ARG9A, ARG9F, ASN12A, ASN49A, ASN92F, ASP85F, GLU44A, GLU4F, GLU50A, GLU88A, GLU88F, GLU91F, GLY13A, GLY46A, HIS53F, ILE15A, ILE45A, ILE48A, ILE5F, ILE83F, ILE87F, ILE94F, LEU10A, LEU10F, LEU60F, LEU80F, LEU86F, LYS11A, LYS11F, LYS93F, PHE2F, PRO16A, PRO47A, PRO81F, SER43A, THR7F, TYR18F, TYR8F, VAL89A, VAL89F
• A-G: ALA14G, ALA17G, ALA64A, ALA90A, ARG63A, ARG67A, ARG6A, ARG84A, ARG9A, ARG9G, ASN12G, ASN49G, ASN92A, ASP85A, GLU44G, GLU4A, GLU50G, GLU88A, GLU88G, GLU91A, GLY13G, GLY46G, HIS53A, ILE45G, ILE48G, ILE5A, ILE83A, ILE87A, ILE94A, LEU10A, LEU10G, LEU60A, LEU80A, LEU86A, LYS11A, LYS11G, LYS93A, PHE2A, PRO16G, PRO47G, PRO81A, SER43G, THR7A, TYR18A, TYR8A, VAL89A, VAL89G
• A-H: ALA64A, ALA64H, ALA68A, ALA68H, ARG63A, ARG63H, ARG67A, ARG67H, ASN92A, ASN92H, ASP61A, ASP61H, ASP62A, ASP62H, GLU65A, GLU65H, GLU91A, GLU91H, ILE94A, ILE94H, LEU60A, LEU60H, LYS93A, LYS93H, LYS96A, LYS96H, PHE2A, PHE2H, SER58A, SER58H, SER59A, SER59H
• B-D: ARG9B, ARG9D, VAL89B, VAL89D
• B-E: ALA14E, ALA17E, ALA64B, ALA90B, ARG63B, ARG67B, ARG6B, ARG84B, ARG9B, ARG9E, ASN12E, ASN49E, ASN92B, ASP85B, GLU44E, GLU4B, GLU50E, GLU88B, GLU88E, GLU91B, GLY13E, GLY46E, HIS53B, ILE15E, ILE45E, ILE48E, ILE5B, ILE83B, ILE87B, ILE94B, LEU10B, LEU10E, LEU60B, LEU80B, LEU86B, LYS11B, LYS11E, LYS93B, PHE2B, PRO16E, PRO47E, PRO81B, SER43E, THR7B, TYR18B, TYR8B, VAL89B, VAL89E
• B-F: ALA64B, ALA64F, ALA68B, ALA68F, ARG63B, ARG63F, ARG67B, ARG67F, ASN92B, ASN92F, ASP61B, ASP61F, ASP62B, ASP62F, GLU91B, GLU91F, ILE94B, ILE94F, LEU60B, LEU60F, LYS93B, LYS93F, LYS96B, LYS96F, PHE2B, PHE2F, SER58B, SER58F, SER59B, SER59F
• B-G: GLU44B, GLU44G, GLY46B, GLY46G, ILE45B, ILE45G, PRO47B, PRO47G
• B-H: ALA14B, ALA17B, ALA64H, ALA90H, ARG63H, ARG67H, ARG6H, ARG84H, ARG9B, ARG9H, ASN12B, ASN49B, ASN92H, ASP85H, GLU44B, GLU4H, GLU50B, GLU88B, GLU88H, GLU91H, GLY13B, GLY46B, HIS53H, ILE15B, ILE45B, ILE48B, ILE5H, ILE83H, ILE87H, ILE94H, LEU10B, LEU10H, LEU60H, LEU80H, LEU86H, LYS11B, LYS11H, LYS93H, PHE2H, PRO16B, PRO47B, PRO81H, SER43B, THR7H, TYR18H, TYR8H, VAL89B, VAL89H
• C-D: ALA56C, ALA56D, ALA98C, ALA98D, ARG63C, ARG63D, ARG6C, ARG99C, ARG99D, ASN92C, ASN92D, ASP24C, ASP24D, GLN30C, GLN30D, GLU23C, GLU23D, GLU28C, GLU28D, GLU36C, GLU36D, GLU44C, GLU44D, GLU4C, GLU4D, GLU50C, GLU50D, GLU91C, GLU91D, GLY39C, GLY39D, GLY46C, GLY46D, HIS53C, HIS53D, ILE15C, ILE15D, ILE27C, ILE27D, ILE45C, ILE45D, ILE51C, ILE51D, ILE54C, ILE54D, ILE5C, ILE5D, ILE94C, ILE94D, LEU103C, LEU103D, LEU19C, LEU19D, LEU37C, LEU37D, LEU60C, LEU60D, LYS20C, LYS20D, LYS31C, LYS31D, LYS93C, LYS93D, LYS96C, LYS96D, PHE100C, PHE100D, PHE2C, PHE2D, PHE41C, PHE41D, PHE42C, PHE42D, PRO102C, PRO102D, PRO47C, PRO47D, PRO97C, PRO97D, SER101C, SER101D, SER43C, SER43D, THR7C, THR7D, TRP55C, TRP55D, TYR18C, TYR18D, TYR3C, TYR3D, TYR40C, TYR40D, TYR8C, TYR8D, VAL21C, VAL21D, VAL22C, VAL22D, VAL38C, VAL38D, VAL52C, VAL52D
• C-E: ALA64C, ALA64E, ALA68C, ALA68E, ARG63C, ARG63E, ARG67C, ARG67E, ASN92C, ASN92E, ASP61C, ASP61E, ASP62C, ASP62E, GLU91C, GLU91E, ILE94C, ILE94E, LEU60C, LEU60E, LYS93C, LYS93E, LYS96C, LYS96E, PHE2C, PHE2E, SER58C, SER58E, SER59C, SER59E
• C-F: ALA14F, ALA17F, ALA64C, ALA90C, ARG63C, ARG67C, ARG6C, ARG84C, ARG9C, ARG9F, ASN12F, ASN49F, ASN92C, ASP85C, GLU44F, GLU4C, GLU50F, GLU88C, GLU88F, GLU91C, GLY13F, GLY46F, HIS53C, ILE45F, ILE48F, ILE5C, ILE83C, ILE87C, ILE94C, LEU10C, LEU10F, LEU60C, LEU80C, LEU86C, LYS11F, LYS93C, PRO16F, PRO47F, PRO81C, SER43F, THR7C, TYR18C, TYR8C, VAL89C, VAL89F
• C-G: ALA14C, ALA17C, ALA64G, ALA90G, ARG63G, ARG67G, ARG6G, ARG84G, ARG9C, ARG9G, ASN12C, ASN49C, ASN92G, ASP85G, GLU44C, GLU4G, GLU50C, GLU88C, GLU88G, GLU91G, GLY13C, GLY46C, HIS53G, ILE45C, ILE48C, ILE5G, ILE83G, ILE87G, ILE94G, LEU10C, LEU10G, LEU60G, LEU80G, LEU86G, LYS11C, LYS11G, LYS93G, PHE2G, PRO16C, PRO47C, PRO81G, SER43C, THR7G, TYR18G, TYR8G, VAL89C, VAL89G
• C-H: GLU44C, GLU44H, GLY46C, GLY46H, ILE45C, ILE45H, PRO47C, PRO47H
• D-E: ALA14D, ALA17D, ALA64E, ALA90E, ARG63E, ARG67E, ARG6E, ARG84E, ARG9D, ARG9E, ASN12D, ASN49D, ASN92E, ASP85E, GLU44D, GLU4E, GLU50D, GLU88D, GLU88E, GLU91E, GLY13D, GLY46D, HIS53E, ILE15D, ILE45D, ILE48D, ILE5E, ILE83E, ILE87E, ILE94E, LEU10D, LEU10E, LEU60E, LEU80E, LEU86E, LYS11D, LYS11E, LYS93E, PHE2E, PRO16D, PRO47D, PRO81E, SER43D, THR7E, TYR18E, TYR8E, VAL89D, VAL89E
• D-F: GLU44D, GLU44F, GLY46D, GLY46F, ILE45D, ILE45F, PRO47D, PRO47F
• D-G: ALA64D, ALA64G, ALA68D, ALA68G, ARG63D, ARG63G, ARG67D, ARG67G, ASN92D, ASN92G, ASP61D, ASP61G, ASP62D, ASP62G, GLU65D, GLU65G, GLU91D, GLU91G, ILE94D, ILE94G, LEU60D, LEU60G, LYS93D, LYS93G, LYS96D, LYS96G, PHE2D, PHE2G, SER58D, SER58G, SER59D, SER59G
• D-H: ALA14H, ALA17H, ALA64D, ALA90D, ARG63D, ARG67D, ARG6D, ARG84D, ARG9D, ARG9H, ASN12H, ASN49H, ASN92D, ASP85D, GLU44H, GLU4D, GLU50H, GLU88D, GLU88H, GLU91D, GLY13H, GLY46H, HIS53D, ILE15H, ILE45H, ILE48H, ILE5D, ILE83D, ILE87D, ILE94D, LEU10D, LEU10H, LEU60D, LEU77D, LEU80D, LEU86D, LYS11D, LYS11H, LYS93D, PHE2D, PRO16H, PRO47H, PRO81D, SER43H, THR7D, TYR18D, TYR8D, VAL89D, VAL89H
• E-F: ALA56E, ALA56F, ALA98E, ALA98F, ARG63E, ARG63F, ARG99E, ARG99F, ASN92E, ASN92F, ASP24E, ASP24F, GLN30E, GLN30F, GLU23E, GLU23F, GLU28E, GLU28F, GLU36E, GLU36F, GLU44E, GLU44F, GLU4E, GLU4F, GLU50E, GLU50F, GLU91E, GLU91F, GLY39E, GLY39F, GLY46E, GLY46F, HIS53E, HIS53F, ILE15E, ILE15F, ILE27E, ILE27F, ILE45E, ILE45F, ILE51E, ILE51F, ILE54E, ILE54F, ILE5E, ILE5F, ILE94E, ILE94F, LEU103E, LEU103F, LEU19E, LEU19F, LEU37E, LEU37F, LEU60E, LEU60F, LYS20E, LYS20F, LYS31E, LYS31F, LYS93E, LYS93F, LYS96E, LYS96F, PHE100E, PHE100F, PHE2E, PHE2F, PHE41E, PHE41F, PHE42E, PHE42F, PRO102E, PRO102F, PRO16E, PRO16F, PRO47E, PRO47F, PRO97E, PRO97F, SER101E, SER101F, SER43E, SER43F, THR7E, THR7F, TRP55E, TRP55F, TYR18E, TYR18F, TYR3E, TYR3F, TYR40E, TYR40F, TYR8E, TYR8F, VAL21E, VAL21F, VAL22E, VAL22F, VAL38E, VAL38F, VAL52E, VAL52F
• E-H: ARG9E, ARG9H, VAL89E, VAL89H
• F-G: ARG9F, ARG9G, VAL89G
• G-H: ALA56G, ALA56H, ALA98G, ALA98H, ARG63G, ARG63H, ARG99G, ARG99H, ASN92G, ASN92H, ASP24G, ASP24H, GLN30G, GLN30H, GLU23G, GLU23H, GLU28G, GLU28H, GLU36G, GLU36H, GLU44G, GLU44H, GLU4G, GLU4H, GLU50G, GLU50H, GLU91G, GLU91H, GLY39G, GLY39H, GLY46G, GLY46H, HIS53G, HIS53H, ILE15G, ILE15H, ILE27G, ILE27H, ILE45G, ILE45H, ILE51G, ILE51H, ILE54G, ILE54H, ILE5G, ILE5H, ILE94G, ILE94H, LEU103G, LEU103H, LEU19G, LEU19H, LEU37G, LEU37H, LEU60G, LEU60H, LYS20G, LYS20H, LYS31G, LYS31H, LYS93G, LYS93H, LYS96G, LYS96H, PHE100G, PHE100H, PHE2G, PHE2H, PHE41G, PHE41H, PHE42G, PHE42H, PRO102G, PRO102H, PRO47G, PRO47H, PRO97G, PRO97H, SER101G, SER101H, SER43G, SER43H, THR7G, THR7H, TRP55G, TRP55H, TYR18G, TYR18H, TYR3G, TYR3H, TYR40G, TYR40H, TYR8G, TYR8H, VAL21G, VAL21H, VAL22G, VAL22H, VAL38G, VAL38H, VAL52G, VAL52H