3AKM

x-ray structure of ifabp from human and rat with bound fluorescent fatty acid analogue

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 33
  • Norm. En. per Res.: -2.132
• 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	-21.6518	-15.6768	-51.2079	-88.5365	46	5	0	2602	1	27	15
A-C	0.0	-5.4522	-3.6633	-9.1155	8	0	0	261	0	9	12
A-D	0.0	0.0	-7.8973	-7.8973	16	0	0	597	0	4	3
B-C	0.0	0.0	-0.226	-0.226	10	0	0	82	0	5	2
B-D	-3.0217	19.8454	-38.5763	-21.7527	33	0	0	1926	0	18	21
C-D	-15.2463	-1.9794	-53.1303	-70.356	33	3	1	2145	0	21	16

Interface residues

• A-B: ALA54A, ALA54B, ALA73A, ALA73B, ARG56A, ARG56B, ARG95A, ARG95B, ASN24A, ASN24B, ASN57A, ASN57B, ASN71A, ASN71B, ASN98A, ASN98B, ASP74A, ASP74B, ASP97A, ASP97B, GLU77A, GLU77B, GLY22A, GLY22B, GLY75A, GLY75B, ILE58A, ILE58B, LEU30A, LEU30B, LEU72A, LEU72B, LEU78A, LYS27A, LYS27B, MET21A, MET21B, PHE55A, PHE55B, THR76A, THR76B, THR96A, THR96B, VAL23B, VAL26A, VAL26B
• A-C: ASP131C, GLU43A, GLU59A, GLU63A, LYS130C, LYS46A, THR48A, VAL61A
• A-D: ARG28D, ARG56A, ASN24D, ASN57A, GLU19D, GLU51A, GLU59A, ILE25D, ILE58A, LYS27D, LYS29D, LYS37A, LYS50A, SER52A, THR39A, VAL26D
• B-C: ASN45C, ASN57B, ASP131B, ASP3C, GLN42C, GLU43C, GLY44C, LYS37B, LYS7B, THR5B
• B-D: ALA124D, ARG10D, ASN13D, ASN45B, ASN69B, ASP15D, GLN42B, GLU123D, GLU12D, GLU43B, GLU59B, GLU63B, GLY121D, GLY44B, ILE127D, LYS125D, LYS16D, LYS46B, PHE17D, PHE47B, PHE62B, PHE68B, SER11D, THR116D, THR41B, THR48B, TYR117D, TYR14D, VAL118D, VAL122D, VAL60B, VAL61B, VAL66B
• C-D: ALA1C, ALA31D, ALA32D, ALA54D, ARG10D, ASN35D, ASN87C, ASP111C, ASP34D, ASP9D, GLU107C, GLU112C, GLU85C, GLY110C, GLY86C, HIS33D, ILE108C, ILE109C, LEU30D, LEU36D, LYS125C, LYS129D, LYS130C, LYS27D, LYS29D, LYS7D, LYS88C, PHE2C, PHE55D, SER53D, VAL114C, VAL26D, VAL8D