2F73

crystal structure of human fatty acid binding protein 1 (fabp1)

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 76
  • Norm. En. per Res.: -6.0063
• Hub Node: C(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	-44.2742	-34.7389	-102.9	-181.9131	73	11	5	6168	4	20	24
A-E	0.0	0.0	-19.6329	-19.6329	31	5	1	1278	0	4	6
B-C	-140.3568	4.8512	-320.973	-456.4786	76	37	9	11939	0	18	18
B-F	0.0	0.0	-28.5842	-28.5842	32	0	1	1299	0	5	7
C-D	-34.3021	-11.846	-103.339	-149.4871	66	3	5	6025	0	24	25
C-F	0.0	0.0	-47.2499	-47.2499	28	4	1	1802	0	6	2
C-H	0.0	0.0	-0.0745	-0.0745	5	0	0	19	0	2	4
D-H	0.0	3.2123	-0.2214	2.9909	11	0	0	108	0	7	7
E-F	-31.0654	-21.8182	-88.0811	-140.9647	66	6	5	5142	3	17	23
G-H	-9.8962	-26.9885	-87.7705	-124.6552	70	14	5	5972	3	24	25

Interface residues

• A-B: ALA54A, ALA54B, ARG126B, ASP34A, ASP34B, GLN10A, GLN10B, GLN30A, GLN30B, GLN60A, GLN60B, GLN8A, GLN8B, GLU27A, GLU40A, GLU40B, GLU72A, GLU72B, GLU77A, GLU77B, GLY32A, GLY32B, GLY37A, GLY37B, GLY55A, GLY55B, GLY76A, GLY76B, ILE127A, ILE127B, ILE35A, ILE35B, ILE52A, ILE52B, ILE59A, ILE59B, LEU28A, LEU28B, LEU9A, LEU9B, LYS125A, LYS125B, LYS31A, LYS31B, LYS33B, LYS36A, LYS36B, LYS49B, LYS57A, LYS57B, LYS6A, LYS6B, LYS78A, LYS78B, MET74B, SER39A, SER39B, SER56A, SER56B, THR51A, THR51B, THR53A, THR53B, THR73A, THR73B, THR75A, THR75B, TYR7A, TYR7B, VAL38A, VAL38B, VAL58A, VAL58B
• A-E: ARG122A, ASN-5E, ASN105A, ASN111A, ASN44E, ASP107A, GLN-1E, GLN10A, GLU-6E, GLU103A, GLU13A, GLY106A, GLY45E, HIS47E, ILE108A, ILE109A, ILE123A, LEU-4E, LEU104A, LYS121A, LYS125A, LYS36A, LYS46E, PHE-2E, SER11A, SER124A, THR-7E, THR110A, THR112A, TYR-3E, VAL119A
• B-C: ARG126B, ARG126C, ASN-5B, ASN-5C, ASN44B, ASN44C, ASP88B, ASP88C, GLN-1B, GLN-1C, GLN43B, GLN43C, GLN84B, GLN84C, GLU-6B, GLU-6C, GLU67B, GLU67C, GLU68B, GLU68C, GLU86B, GLU86C, GLY-8B, GLY45B, GLY45C, GLY66B, GLY66C, GLY87B, GLY87C, HIS47B, HIS47C, LEU-4B, LEU-4C, LEU104B, LEU104C, LEU85B, LEU85C, LEU91B, LEU91C, LYS46B, LYS46C, LYS90B, LYS99B, MET1B, MET1C, PHE-2B, PHE-2C, PHE3B, PHE3C, PHE48B, PHE48C, PHE63B, PHE63C, SER0B, SER0C, SER2B, SER2C, SER4B, SER4C, THR-7B, THR-7C, THR64B, THR64C, THR81C, THR94C, TYR-3B, TYR-3C, VAL42B, VAL65B, VAL65C, VAL82B, VAL82C, VAL83B, VAL83C, VAL92B, VAL92C
• B-F: ARG122F, ASN-5B, ASN105F, ASN111F, ASN44B, ASN89F, ASP107F, GLN-1B, GLN10F, GLU-6B, GLU103F, GLU13F, GLY-8B, GLY106F, GLY45B, ILE108F, ILE109F, ILE123F, LEU-4B, LEU104F, LYS121F, LYS125F, LYS46B, LYS90F, PHE-2B, SER11F, SER124F, THR-7B, THR110F, THR112F, TYR-3B, VAL119F
• C-D: ALA54C, ALA54D, ASP34C, ASP34D, GLN10C, GLN10D, GLN30D, GLN60C, GLN60D, GLN8C, GLN8D, GLU27C, GLU27D, GLU40C, GLU40D, GLU72C, GLU72D, GLY32C, GLY32D, GLY37C, GLY37D, GLY55C, GLY55D, GLY76C, GLY76D, ILE127C, ILE127D, ILE35C, ILE35D, ILE52C, ILE52D, ILE59C, ILE59D, LEU28C, LEU28D, LEU9C, LEU9D, LYS125C, LYS125D, LYS31C, LYS31D, LYS33D, LYS36C, LYS36D, LYS49C, LYS49D, LYS57C, LYS57D, LYS6C, LYS6D, LYS78C, LYS78D, SER39C, SER39D, SER56C, SER56D, THR51C, THR51D, THR53C, THR53D, THR75C, TYR7D, VAL38C, VAL38D, VAL58C, VAL58D
• C-F: ARG126F, ASN-5C, ASN105F, ASP107F, GLN-1C, GLN10F, GLN12F, GLN8F, GLU-6C, GLU13F, GLY45C, ILE108F, ILE109F, ILE123F, LEU-4C, LEU9F, LYS121F, LYS125F, LYS46C, PHE-2C, SER0C, SER11F, SER124F, THR-7C, THR110F, THR112F, TYR-3C, VAL119F
• C-H: GLU27C, ILE108H, ILE123H, LYS121H, THR110H
• D-H: ASP107H, GLN10H, GLU70D, GLU77D, ILE108H, ILE123H, LYS125H, LYS78D, LYS80D, SER11H, VAL79D
• E-F: ALA54E, ALA54F, ASP34E, ASP34F, GLN10E, GLN10F, GLN30E, GLN30F, GLN60E, GLN60F, GLN8E, GLN8F, GLU27E, GLU27F, GLU40E, GLU40F, GLU72E, GLU72F, GLY32E, GLY32F, GLY37E, GLY37F, GLY55E, GLY55F, GLY76E, GLY76F, ILE127E, ILE127F, ILE35E, ILE35F, ILE52E, ILE52F, ILE59E, ILE59F, LEU28E, LEU28F, LEU9E, LEU9F, LYS125F, LYS31E, LYS31F, LYS33E, LYS33F, LYS36E, LYS36F, LYS49E, LYS57E, LYS57F, LYS6E, LYS6F, LYS78E, LYS78F, SER39E, SER39F, SER56E, SER56F, THR51E, THR51F, THR53E, THR53F, THR73E, TYR7E, VAL38E, VAL38F, VAL58E, VAL58F
• G-H: ALA54G, ALA54H, ARG126G, ARG126H, ASP34G, ASP34H, GLN10G, GLN30H, GLN60G, GLN60H, GLN8G, GLN8H, GLU27G, GLU40G, GLU40H, GLU72G, GLU72H, GLU77G, GLU77H, GLY32G, GLY32H, GLY37G, GLY37H, GLY55G, GLY55H, GLY76G, GLY76H, ILE127G, ILE127H, ILE35G, ILE35H, ILE52G, ILE52H, ILE59G, ILE59H, LEU28G, LEU28H, LYS125G, LYS125H, LYS31G, LYS31H, LYS33G, LYS33H, LYS36G, LYS36H, LYS49H, LYS57G, LYS57H, LYS6G, LYS6H, LYS78G, LYS78H, MET74G, SER39G, SER39H, SER56G, SER56H, THR51G, THR51H, THR53G, THR53H, THR73G, THR73H, THR75G, TYR7G, TYR7H, VAL38G, VAL38H, VAL58G, VAL58H