1VQY

crystal structure of a nipsnap family protein (atu5224) from agrobacterium tumefaciens str. c58 at 2.40 a resolution

• Total interactions analyzed: 28
• Total true interactions: 23
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 103
  • Norm. En. per Res.: -5.9828
• Hub Node: A(5)

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	-142.9383	-8.2679	-455.032	-606.2382	111	20	18	17162	4	22	29
A-E	0.0	15.923	-19.2568	-3.3338	26	1	3	1233	0	16	17
A-F	-40.6499	14.0798	-97.9089	-124.479	43	4	1	3769	0	11	15
A-G	-36.2988	-21.8228	-94.6166	-152.7382	45	7	1	3623	1	11	16
A-H	0.0	0.0	-10.1132	-10.1132	10	0	1	472	0	0	1
B-C	0.0	0.0	-0.0058	-0.0058	3	0	0	3	0	4	1
B-E	-40.6342	-29.7797	-100.906	-171.3199	44	5	1	3876	2	11	15
B-F	0.0	0.0	-10.3412	-10.3412	10	0	1	464	0	0	1
B-G	-15.1624	37.8734	-40.9241	-18.2131	26	2	3	1457	0	18	19
B-H	-34.5877	-38.7358	-100.097	-173.4205	45	4	1	3807	2	11	16
C-D	-148.1555	-10.6086	-452.321	-611.0851	105	22	18	16968	6	21	29
C-E	-40.3929	-38.4736	-108.516	-187.3824	45	5	1	4033	2	11	16
C-F	-32.0293	37.3064	-49.2376	-43.9606	28	2	3	1537	0	18	21
C-G	0.0	0.0	-10.0215	-10.0215	10	0	1	474	0	0	1
C-H	-43.1488	-42.2435	-99.0264	-184.4187	47	6	1	3804	2	11	16
D-E	0.0	0.0	-10.7481	-10.7481	10	0	1	470	0	0	1
D-F	-45.1221	-43.4527	-93.4671	-182.0419	45	8	1	3869	2	12	16
D-G	-43.9958	-44.7824	-106.672	-195.4502	45	7	1	3985	2	11	16
D-H	-6.9543	37.7175	-42.0292	-11.266	25	0	3	1455	0	16	17
E-F	-151.4765	-7.7105	-457.045	-616.2319	103	19	18	16948	4	22	27
E-H	0.0	0.0	-0.0023	-0.0023	4	0	0	3	0	4	1
F-G	0.0	0.0	-0.0267	-0.0267	3	0	0	11	0	4	1
G-H	-141.027	-8.7932	-440.841	-590.6612	104	23	18	16859	5	22	25

Interface residues

• A-B: ALA28A, ALA28B, ALA31A, ALA31B, ARG104A, ARG104B, ARG23A, ARG23B, ARG63A, ARG63B, ARG6A, ARG6B, ARG93A, ARG93B, ASN36A, ASN36B, ASN92A, ASN92B, ASP-8B, ASP44A, ASP44B, ASP99A, ASP99B, GLN30A, GLN30B, GLN50A, GLN50B, GLU24A, GLU24B, GLU4A, GLU4B, GLU5A, GLU5B, GLU91A, GLU91B, GLY35A, GLY39A, GLY39B, GLY46A, GLY46B, GLY56A, GLY56B, HIS-5B, HIS53A, HIS53B, ILE27A, ILE27B, ILE2A, ILE2B, ILE38A, ILE38B, ILE45A, ILE45B, ILE52A, ILE52B, ILE7A, ILE7B, ILE94A, ILE94B, LEU103A, LEU103B, LEU19A, LEU19B, LEU21A, LEU21B, LEU37A, LEU37B, LEU48A, LEU48B, LEU60A, LEU60B, LEU95A, LEU95B, LEU96A, LEU96B, LYS-7B, LYS20A, LYS20B, PHE100A, PHE100B, PHE41A, PHE41B, PRO102A, PRO102B, PRO32A, PRO47A, PRO47B, PRO97A, PRO97B, SER-9B, SER101A, SER101B, THR43A, THR43B, THR98A, THR98B, TRP55A, TRP55B, TYR18A, TYR18B, TYR40A, TYR40B, TYR8A, VAL22A, VAL22B, VAL3A, VAL3B, VAL42A, VAL42B, VAL51A, VAL51B
• A-E: ALA64A, ALA64E, ARG63A, ARG63E, ARG67A, ARG67E, ARG93A, ARG93E, ASN92A, ASN92E, ASP61A, ASP61E, ASP62A, ASP62E, GLU65E, GLU91A, ILE2A, ILE2E, ILE94A, ILE94E, LEU60A, LEU60E, LEU96A, LEU96E, SER59A, SER59E
• A-F: ALA64A, ARG11A, ARG11F, ARG63A, ARG67A, ARG6A, ARG82A, ARG93A, ARG9A, ARG9F, ASN92A, ASP44F, GLN50F, GLU4A, GLU5A, GLU88A, GLU88F, GLU91A, GLY12F, GLY13F, GLY46F, ILE10F, ILE2A, ILE45F, ILE7A, ILE80A, ILE87A, ILE94A, LEU48F, LEU60A, LEU83A, LEU86A, LEU95A, LYS14F, PRO47F, PRO81A, SER49F, SER84A, SER89A, SER90A, THR43F, TYR8A, VAL85A
• A-G: ALA64G, ALA71G, ARG11A, ARG11G, ARG63G, ARG67G, ARG6G, ARG82G, ARG93G, ARG9A, ARG9G, ASN92G, ASP44A, GLN16A, GLN50A, GLU4G, GLU5G, GLU88A, GLU88G, GLU91G, GLY12A, GLY13A, GLY46A, ILE10A, ILE2G, ILE45A, ILE7G, ILE80G, ILE87G, ILE94G, LEU48A, LEU60G, LEU83G, LEU86G, LEU95G, LYS14A, PRO47A, PRO81G, SER49A, SER84G, SER89G, SER90G, THR43A, TYR8G, VAL85G
• A-H: ASP44A, ASP44H, GLY46A, GLY46H, ILE45A, ILE45H, PRO47A, PRO47H, THR43A, THR43H
• B-C: ARG9B, ARG9C, GLU88B
• B-E: ALA64E, ALA71E, ARG11B, ARG11E, ARG63E, ARG67E, ARG6E, ARG93E, ARG9B, ARG9E, ASN92E, ASP44B, GLN16B, GLN50B, GLU4E, GLU5E, GLU88B, GLU88E, GLU91E, GLY12B, GLY13B, GLY46B, ILE10B, ILE2E, ILE45B, ILE7E, ILE80E, ILE87E, ILE94E, LEU48B, LEU60E, LEU83E, LEU86E, LEU95E, LYS14B, PRO47B, PRO81E, SER49B, SER84E, SER89E, SER90E, THR43B, TYR8E, VAL85E
• B-F: ASP44B, ASP44F, GLY46B, GLY46F, ILE45B, ILE45F, PRO47B, PRO47F, THR43B, THR43F
• B-G: ALA58B, ALA58G, ALA64B, ALA64G, ARG63B, ARG63G, ARG93B, ARG93G, ASN92B, ASN92G, ASP61B, ASP61G, ASP62B, ASP62G, GLU65B, GLU91G, ILE2B, ILE2G, ILE94B, ILE94G, LEU60B, LEU60G, LEU96B, LEU96G, SER59B, SER59G
• B-H: ALA64B, ALA71B, ARG11B, ARG11H, ARG63B, ARG67B, ARG6B, ARG82B, ARG93B, ARG9B, ARG9H, ASN92B, ASP44H, GLN16H, GLN50H, GLU4B, GLU5B, GLU88B, GLU88H, GLU91B, GLY12H, GLY13H, GLY46H, ILE10H, ILE2B, ILE45H, ILE7B, ILE80B, ILE87B, ILE94B, LEU48H, LEU60B, LEU83B, LEU86B, LEU95B, LYS14H, PRO47H, PRO81B, SER49H, SER84B, SER89B, SER90B, THR43H, TYR8B, VAL85B
• C-D: ALA28D, ALA31C, ALA31D, ARG104C, ARG104D, ARG23C, ARG23D, ARG63C, ARG63D, ARG6C, ARG6D, ARG93C, ARG93D, ASN36C, ASN36D, ASN92C, ASN92D, ASP44C, ASP44D, ASP99C, ASP99D, GLN16D, GLN30C, GLN30D, GLN50C, GLN50D, GLU24C, GLU24D, GLU4C, GLU4D, GLU5C, GLU5D, GLU91C, GLU91D, GLY39C, GLY39D, GLY46C, GLY46D, HIS53C, HIS53D, ILE27C, ILE27D, ILE2C, ILE2D, ILE38C, ILE38D, ILE45C, ILE45D, ILE52C, ILE52D, ILE7C, ILE7D, ILE94C, ILE94D, LEU103C, LEU103D, LEU19C, LEU19D, LEU21C, LEU21D, LEU37C, LEU37D, LEU48C, LEU48D, LEU60C, LEU60D, LEU83D, LEU95C, LEU95D, LEU96C, LEU96D, LYS20C, LYS20D, PHE100C, PHE100D, PHE41C, PHE41D, PRO102C, PRO102D, PRO47C, PRO47D, PRO97C, PRO97D, SER101C, SER101D, THR43C, THR43D, THR98C, THR98D, TRP55C, TRP55D, TYR18C, TYR18D, TYR40C, TYR40D, TYR8C, TYR8D, VAL22C, VAL22D, VAL3C, VAL3D, VAL42C, VAL42D, VAL51C, VAL51D
• C-E: ALA64C, ALA71C, ARG11C, ARG11E, ARG63C, ARG67C, ARG6C, ARG82C, ARG93C, ARG9C, ARG9E, ASN92C, ASP44E, GLN16E, GLN50E, GLU4C, GLU5C, GLU88C, GLU88E, GLU91C, GLY12E, GLY13E, GLY46E, ILE10E, ILE2C, ILE45E, ILE7C, ILE80C, ILE87C, ILE94C, LEU48E, LEU60C, LEU83C, LEU86C, LEU95C, LYS14E, PRO47E, PRO81C, SER49E, SER84C, SER89C, SER90C, THR43E, TYR8C, VAL85C
• C-F: ALA58C, ALA58F, ALA64C, ALA64F, ARG63C, ARG63F, ARG67C, ARG67F, ARG93C, ARG93F, ASN92C, ASN92F, ASP61C, ASP61F, ASP62C, ASP62F, GLU91C, GLU91F, ILE2C, ILE2F, ILE94C, ILE94F, LEU60C, LEU60F, LEU96C, LEU96F, SER59C, SER59F
• C-G: ASP44C, ASP44G, GLY46C, GLY46G, ILE45C, ILE45G, PRO47C, PRO47G, THR43C, THR43G
• C-H: ALA64H, ALA71H, ARG11C, ARG63H, ARG67H, ARG6H, ARG82H, ARG93H, ARG9C, ARG9H, ASN92H, ASP44C, GLN16C, GLN50C, GLN77H, GLU4H, GLU5H, GLU88C, GLU88H, GLU91H, GLY12C, GLY13C, GLY46C, HIS53H, ILE10C, ILE2H, ILE45C, ILE7H, ILE80H, ILE87H, ILE94H, LEU48C, LEU60H, LEU83H, LEU86H, LEU95H, LYS14C, PRO47C, PRO81H, SER49C, SER84H, SER89C, SER89H, SER90H, THR43C, TYR8H, VAL85H
• D-E: ASP44D, ASP44E, GLY46D, GLY46E, ILE45D, ILE45E, PRO47D, PRO47E, THR43D, THR43E
• D-F: ALA64F, ALA71F, ARG11D, ARG11F, ARG63F, ARG67F, ARG6F, ARG93F, ARG9D, ARG9F, ASN92F, ASP44D, GLN16D, GLN50D, GLU4F, GLU5F, GLU88D, GLU88F, GLU91F, GLY12D, GLY13D, GLY46D, ILE10D, ILE2F, ILE45D, ILE7F, ILE80F, ILE87F, ILE94F, LEU48D, LEU60F, LEU83F, LEU86F, LEU95F, LYS14D, PRO47D, PRO81F, SER49D, SER84F, SER89D, SER89F, SER90F, THR43D, TYR8F, VAL85F
• D-G: ALA64D, ALA71D, ARG11D, ARG11G, ARG63D, ARG67D, ARG6D, ARG82D, ARG93D, ARG9D, ARG9G, ASN92D, ASP44G, GLN16G, GLN50G, GLU4D, GLU5D, GLU88D, GLU88G, GLU91D, GLY12G, GLY13G, GLY46G, ILE10G, ILE2D, ILE45G, ILE7D, ILE80D, ILE87D, ILE94D, LEU48G, LEU60D, LEU83D, LEU86D, LEU95D, LYS14G, PRO47G, PRO81D, SER49G, SER84D, SER89D, SER90D, THR43G, TYR8D, VAL85D
• D-H: ALA58D, ALA58H, ALA64D, ALA64H, ARG63D, ARG63H, ARG93D, ARG93H, ASN92D, ASN92H, ASP61D, ASP61H, ASP62D, ASP62H, GLU91D, ILE2D, ILE2H, ILE94D, ILE94H, LEU60D, LEU60H, LEU96D, LEU96H, SER59D, SER59H
• E-F: ALA28E, ALA31E, ALA31F, ARG104E, ARG104F, ARG23E, ARG23F, ARG63E, ARG63F, ARG6E, ARG6F, ARG93E, ARG93F, ASN36E, ASN36F, ASN92E, ASN92F, ASP44E, ASP44F, ASP99E, ASP99F, GLN16F, GLN30E, GLN30F, GLN50E, GLN50F, GLU24E, GLU24F, GLU4E, GLU4F, GLU5E, GLU5F, GLU91E, GLU91F, GLY39E, GLY39F, GLY46E, GLY46F, HIS53E, HIS53F, ILE27E, ILE27F, ILE2E, ILE2F, ILE38E, ILE38F, ILE45E, ILE45F, ILE52E, ILE52F, ILE7E, ILE7F, ILE94E, ILE94F, LEU103E, LEU103F, LEU19E, LEU19F, LEU21E, LEU21F, LEU37E, LEU37F, LEU48E, LEU48F, LEU60E, LEU60F, LEU95E, LEU95F, LEU96E, LEU96F, LYS20E, LYS20F, PHE100E, PHE100F, PHE41E, PHE41F, PRO102E, PRO102F, PRO47E, PRO47F, PRO97E, PRO97F, SER101E, SER101F, THR43E, THR43F, THR98E, THR98F, TRP55E, TRP55F, TYR18E, TYR18F, TYR40E, TYR40F, TYR8F, VAL22E, VAL22F, VAL3E, VAL3F, VAL42E, VAL42F, VAL51E, VAL51F
• E-H: ARG9E, GLU88E, GLU88H, SER89H
• F-G: ARG9F, ARG9G, GLU88G
• G-H: ALA28G, ALA31G, ALA31H, ARG104G, ARG104H, ARG23G, ARG23H, ARG63G, ARG63H, ARG6G, ARG6H, ARG93G, ARG93H, ASN36G, ASN36H, ASN92G, ASN92H, ASP44G, ASP44H, ASP99G, ASP99H, GLN16G, GLN30G, GLN30H, GLN50G, GLN50H, GLU24G, GLU24H, GLU4G, GLU4H, GLU5G, GLU5H, GLU91G, GLU91H, GLY39G, GLY39H, GLY46G, GLY46H, GLY56G, HIS53G, HIS53H, ILE27G, ILE27H, ILE2G, ILE2H, ILE38G, ILE38H, ILE45G, ILE45H, ILE52G, ILE52H, ILE7G, ILE7H, ILE94G, ILE94H, LEU103G, LEU103H, LEU19G, LEU19H, LEU21G, LEU21H, LEU37G, LEU37H, LEU48G, LEU48H, LEU60G, LEU60H, LEU95G, LEU95H, LEU96G, LEU96H, LYS20G, LYS20H, PHE100G, PHE100H, PHE41G, PHE41H, PRO102G, PRO102H, PRO47G, PRO47H, PRO97G, PRO97H, SER101G, SER101H, THR43G, THR43H, THR98G, THR98H, TRP55G, TRP55H, TYR18G, TYR18H, TYR40G, TYR40H, TYR8H, VAL22G, VAL22H, VAL3G, VAL3H, VAL42G, VAL42H, VAL51G, VAL51H