3TDM

computationally designed tim-barrel protein, halfflr

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 151
  • Norm. En. per Res.: -4.3849
• Hub Node: A(2)

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	-151.3644	-26.9149	-483.837	-662.1163	151	22	34	20191	2	16	20
A-C	-8.4811	7.2955	-60.0255	-61.2111	32	7	4	3450	0	9	8
B-D	0.0	0.0	-0.0009	-0.0009	3	0	0	3	0	0	0
C-D	-13.8081	-5.5492	-51.9617	-71.3191	52	3	0	2838	3	30	34

Interface residues

• A-B: ALA105A, ALA105B, ALA106A, ALA106B, ALA10A, ALA10B, ALA117A, ALA117B, ALA3A, ALA3B, ALA44A, ALA44B, ALA79A, ALA79B, ALA7A, ALA7B, ALA97A, ALA97B, ARG42A, ARG42B, ARG54A, ARG54B, ASN103A, ASN103B, ASN109A, ASN109B, ASN27A, ASN27B, ASP53B, ASP55A, ASP55B, ASP98A, ASP98B, ASP9A, ASP9B, GLN115A, GLN115B, GLN118A, GLN118B, GLN2A, GLN2B, GLU108A, GLU108B, GLU38A, GLU38B, GLU40A, GLU40B, GLU46A, GLU46B, GLY121A, GLY24A, GLY24B, GLY29A, GLY29B, GLY43A, GLY43B, GLY45A, GLY45B, GLY56A, GLY56B, GLY81A, GLY81B, ILE102A, ILE102B, ILE113A, ILE113B, ILE116A, ILE116B, ILE30A, ILE30B, ILE47A, ILE47B, ILE52A, ILE52B, ILE78A, ILE78B, ILE8A, ILE8B, LEU112A, LEU112B, LEU48A, LEU48B, LEU75A, LEU75B, LYS25A, LYS25B, LYS26A, LYS26B, LYS41A, LYS41B, LYS58A, LYS58B, LYS99A, LYS99B, MET86A, PHE120A, PHE120B, PHE20A, PHE20B, PHE89A, PHE89B, PHE93A, PHE93B, PRO110A, PRO110B, PRO76A, PRO76B, SER101A, SER101B, SER111A, SER111B, SER1B, SER23A, SER23B, SER51B, SER80A, SER80B, THR104A, THR104B, THR114A, THR114B, THR119A, THR119B, THR21A, THR21B, THR28A, THR28B, THR50A, THR50B, THR57A, THR57B, TRP35A, TRP35B, TYR22A, TYR22B, TYR61A, TYR61B, VAL100A, VAL100B, VAL107A, VAL107B, VAL19A, VAL19B, VAL39A, VAL39B, VAL4A, VAL4B, VAL5A, VAL5B, VAL6A, VAL6B
• A-C: ALA117A, ALA92A, ALA92C, ARG67C, ARG95A, ARG95C, GLN115A, GLN118A, GLU87A, GLU87C, GLU91A, GLU91C, GLY121A, GLY96C, HIS88A, HIS88C, ILE116A, LEU90A, LEU90C, LEU94A, LEU94C, LYS85A, LYS85C, MET86A, MET86C, PHE120A, PHE89A, PHE89C, PHE93A, PHE93C, THR119A, THR63C
• B-D: GLN2B, LYS25D, LYS26D
• C-D: ALA83D, ARG12C, ARG12D, ARG33C, ARG54D, ARG67C, ARG67D, ARG70C, ARG95D, ASP14C, ASP14D, ASP34C, ASP53D, ASP62D, GLU16C, GLU16D, GLU38C, GLU64C, GLU64D, GLU87D, GLU91D, GLY15C, GLY15D, GLY29C, GLY60D, GLY84D, HIS88D, ILE52D, ILE66C, LEU31C, LEU32C, LEU72C, LYS11D, LYS41C, LYS58D, LYS85D, MET18C, MET65C, PHE17C, PHE17D, PHE68C, PHE89D, PRO71C, SER59D, THR57D, THR63D, THR73C, THR74C, TYR61D, VAL13D, VAL37C, VAL69C