2FQP

crystal structure of a cupin domain (bp2299) from bordetella pertussis tohama i at 1.80 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 84
  • Norm. En. per Res.: -2.9775
• Hub Node: A(3)

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	-28.6207	-21.3273	-164.386	-214.334	80	8	14	8240	1	23	21
A-C	0.0	-12.5693	-4.1246	-16.6938	6	1	0	164	0	2	2
A-D	-5.9554	6.9493	-14.6795	-13.6856	16	1	0	704	0	9	5
B-C	0.0	-14.6525	-6.7706	-21.4231	15	0	0	420	0	9	8
B-D	0.0	0.0	-0.0246	-0.0246	5	0	0	21	0	0	1
C-D	-47.9291	-19.8165	-182.365	-250.1106	84	9	14	8744	1	24	22

Interface residues

• A-B: ALA95A, ARG16A, ARG16B, ARG23B, ARG64A, ARG64B, ARG70A, ARG70B, ASN14A, ASN14B, ASP13A, ASP13B, ASP38A, ASP38B, GLN11A, GLN11B, GLU15A, GLU15B, GLU21A, GLU21B, GLU72A, GLU72B, GLU85B, GLU90A, GLU90B, GLU92A, GLU92B, GLY65A, GLY65B, ILE12A, ILE12B, ILE91A, ILE91B, ILE93A, ILE93B, LYS18A, LYS18B, LYS94A, LYS94B, PHE88A, PHE88B, PRO43A, PRO43B, PRO71A, PRO71B, SER36A, SER36B, SER67A, SER67B, THR20A, THR20B, THR45A, THR45B, THR46A, THR63A, THR63B, THR69A, THR69B, THR9A, TYR39A, TYR39B, TYR68A, TYR68B, VAL10A, VAL17A, VAL17B, VAL19A, VAL19B, VAL40A, VAL40B, VAL41A, VAL41B, VAL42A, VAL42B, VAL66A, VAL66B, VAL87A, VAL87B, VAL89A, VAL89B
• A-C: ALA95C, ARG16C, ARG64A, ASN14C, GLU15C, THR46A
• A-D: ALA95D, ARG23A, ARG34D, ASP38D, ASP83A, GLU72D, GLU75D, GLU85A, GLY73D, HIS35D, PRO26A, PRO71D, SER36D, SER82A, THR84A, VAL74D
• B-C: ALA95C, ARG34C, ARG64B, ASP83B, GLU15C, GLU72C, GLY47B, HIS35C, LYS94C, PRO48B, SER36C, SER82B, THR45B, THR46B, THR84B
• B-D: ALA96D, ARG16D, ARG64B, THR46B, THR63B
• C-D: ALA95C, ALA95D, ALA96D, ARG16C, ARG16D, ARG23C, ARG23D, ARG64C, ARG64D, ARG70C, ARG70D, ASN14C, ASN14D, ASP13C, ASP13D, ASP38C, ASP38D, GLN11C, GLN11D, GLU15C, GLU15D, GLU21C, GLU21D, GLU72C, GLU72D, GLU90C, GLU90D, GLU92C, GLU92D, GLY65C, GLY65D, ILE12C, ILE12D, ILE91C, ILE91D, ILE93C, ILE93D, LYS18C, LYS18D, LYS94C, LYS94D, PHE88C, PHE88D, PRO43C, PRO43D, PRO71C, PRO71D, SER36C, SER36D, SER67C, SER67D, THR20C, THR20D, THR45C, THR45D, THR46D, THR63C, THR63D, THR69C, THR69D, THR9C, THR9D, TYR39C, TYR39D, TYR68C, TYR68D, VAL10C, VAL10D, VAL17C, VAL17D, VAL19C, VAL19D, VAL40C, VAL40D, VAL41C, VAL41D, VAL42C, VAL42D, VAL66C, VAL66D, VAL87C, VAL87D, VAL89C, VAL89D