4TIM

crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 136
  • Norm. En. per Res.: -4.8617
• Hub Node: A(1)

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	-105.3587	-75.1234	-480.709	-661.1912	136	15	18	17468	4	18	16

Interface residues

• A-B: ALA100A, ALA42A, ALA42B, ALA49A, ALA49B, ALA64A, ALA64B, ALA67A, ALA67B, ALA69A, ALA73A, ALA73B, ARG98A, ARG98B, ARG99A, ARG99B, ASN11A, ASN11B, ASN15A, ASN15B, ASN66A, ASN66B, ASP85A, ASP85B, CYS126A, CYS126B, CYS14A, CYS14B, GLN18A, GLN18B, GLN19A, GLN19B, GLN65A, GLN65B, GLU104A, GLU104B, GLU167A, GLU167B, GLU77A, GLU77B, GLU97A, GLU97B, GLY103A, GLY103B, GLY16A, GLY16B, GLY173B, GLY234A, GLY234B, GLY235A, GLY235B, GLY72A, GLY72B, GLY76A, GLY76B, GLY87A, GLY87B, GLY94A, GLY94B, HIS47A, HIS47B, HIS95A, HIS95B, ILE108A, ILE108B, ILE172A, ILE172B, ILE68A, ILE68B, ILE82A, ILE82B, LEU21A, LEU21B, LEU232A, LEU232B, LEU238A, LEU238B, LEU48A, LEU48B, LEU80A, LEU80B, LEU83A, LEU83B, LEU93A, LEU93B, LYS112A, LYS112B, LYS13A, LYS13B, LYS52A, LYS52B, LYS70A, LYS70B, LYS84A, LYS84B, MET50A, MET50B, PHE45A, PHE45B, PHE74A, PHE74B, PHE86A, PHE86B, PRO81A, PRO81B, SER17A, SER17B, SER20A, SER20B, SER43A, SER43B, SER71A, SER71B, SER79A, SER79B, SER96A, SER96B, THR44A, THR44B, THR51A, THR75A, THR75B, TRP12A, TRP12B, TYR101A, TYR101B, TYR102A, TYR102B, VAL46A, VAL46B, VAL78A, VAL78B, VAL88A, VAL88B, VAL92A, VAL92B