1RBY

human gar tfase complex structure with 10-(trifluoroacetyl)- 5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-gar

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 86
  • Norm. En. per Res.: -2.6166
• 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	-8.5682	37.8903	-55.7507	-26.4286	34	0	0	1948	0	10	8
A-C	-9.9035	22.9532	-96.9263	-83.8765	41	2	1	3769	4	20	22
A-D	-33.805	0.0	-191.224	-225.029	86	5	8	7689	0	4	3
B-C	-21.7066	-9.9298	-52.8769	-84.5133	44	6	0	2137	2	19	20

Interface residues

• A-B: ALA38A, ALA38B, ALA39A, ALA39B, ALA41A, ALA41B, ALA46A, ALA46B, ALA49A, ALA49B, ARG48A, ARG48B, ASP44A, ASP44B, GLU47A, GLU47B, GLY42A, GLY42B, GLY9A, GLY9B, LEU43A, LEU43B, LYS37A, LYS37B, LYS45A, LYS45B, THR10A, THR10B, THR53A, THR53B, VAL40A, VAL40B, VAL55A, VAL55B
• A-C: ALA46A, ALA46C, ALA49A, ALA49C, ARG22A, ARG22C, ARG2C, ARG48A, ARG48C, ARG54C, ASN25A, ASP19A, ASP19C, ASP31C, ASP44A, GLN15A, GLN15C, GLN29C, GLU23A, GLU47A, GLU47C, GLU76C, GLU77C, GLY50A, GLY50C, ILE18A, ILE18C, ILE30C, ILE32C, ILE51A, ILE51C, LYS45A, LYS45C, PHE78C, PRO24A, PRO52C, SER20A, SER79C, THR21A, THR53C, VAL74C
• A-D: ALA124A, ALA124D, ALA145A, ALA145D, ALA153A, ALA153D, ARG158A, ARG158D, CYS134A, CYS134D, CYS198A, CYS198D, GLN123A, GLN123D, GLN147A, GLN147D, GLN151A, GLN151D, GLU126A, GLU126D, GLU152A, GLU152D, GLY128A, GLY128D, GLY133A, GLY133D, GLY146A, GLY146D, ILE148A, ILE148D, ILE149A, ILE149D, ILE176A, ILE176D, ILE197A, ILE197D, LEU111A, LEU111D, LEU112A, LEU112D, LEU125A, LEU125D, LEU150A, LEU150D, LEU183A, LEU183D, LYS116A, LYS116D, LYS196A, LYS196D, PHE115A, PHE115D, PRO113A, PRO113D, PRO155A, PRO155D, SER110A, SER110D, SER114A, SER114D, THR127A, THR127D, THR130A, THR130D, THR132A, THR132D, THR135A, THR135D, THR188A, THR188D, TRP199A, TRP199D, VAL129A, VAL129D, VAL131A, VAL131D, VAL136A, VAL136D, VAL154A, VAL154D, VAL156A, VAL156D, VAL189A, VAL189D, VAL200A, VAL200D
• B-C: ALA120B, ALA124B, ALA163C, ALA16C, ARG168C, ARG22C, ARG64B, ARG90B, ASN119B, ASN57B, ASP160C, ASP19C, GLN123B, GLN15C, GLU122B, GLU122C, GLU126B, GLU167C, GLU23C, GLY117B, HIS121B, ILE18C, ILE91B, LEU125B, LEU125C, LEU165C, LEU171C, LEU60B, LYS116B, LYS157C, LYS170C, LYS175C, LYS37B, LYS59B, PHE115B, PRO24C, SER118B, SER166C, SER20C, THR127B, THR161C, THR164C, VAL143B, VAL162C