1M3W

crystal structure of a molecular maquette scaffold

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 58
  • Norm. En. per Res.: -5.022
• 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	0.0	-19.9873	-181.322	-201.3093	55	6	6	6686	2	36	38
A-C	-26.7638	-79.041	-185.469	-291.2738	58	15	7	7429	8	36	38
A-D	0.0	0.0	-10.8849	-10.8849	24	1	0	699	0	5	9
B-C	0.0	0.0	-11.1073	-11.1073	24	1	0	707	0	5	9
B-D	0.0	39.1472	-113.826	-74.6788	52	8	4	5079	0	36	36
C-D	0.0	-20.2974	-180.345	-200.6424	55	11	6	6721	2	36	38

Interface residues

• A-B: ARG27A, ARG27B, GLU11A, GLU11B, GLU12A, GLU12B, GLU18A, GLU18B, GLU19A, GLU19B, GLU25A, GLU25B, GLU26A, GLU5A, GLU5B, GLY2A, GLY2B, GLY3A, GLY4A, HIS10A, HIS10B, HIS24A, HIS24B, ILE6A, ILE6B, LEU14A, LEU14B, LEU20A, LEU20B, LEU21A, LEU21B, LEU23A, LEU23B, LEU28A, LEU28B, LEU9A, LEU9B, LYS15A, LYS15B, LYS16A, LYS16B, LYS22A, LYS22B, LYS29A, LYS30A, LYS8A, LYS8B, MET31A, MET31B, PHE13A, PHE13B, PHE17A, PHE17B, TRP7A, TRP7B
• A-C: ARG27A, ARG27C, GLU11A, GLU11C, GLU12A, GLU12C, GLU18A, GLU18C, GLU19A, GLU19C, GLU25A, GLU25C, GLU26A, GLU26C, GLU5A, GLU5C, GLY2A, GLY2C, GLY4A, GLY4C, HIS10A, HIS10C, HIS24A, HIS24C, ILE6A, ILE6C, LEU14A, LEU14C, LEU20A, LEU20C, LEU21A, LEU21C, LEU23A, LEU23C, LEU28A, LEU28C, LEU9A, LEU9C, LYS15A, LYS15C, LYS16A, LYS16C, LYS22A, LYS22C, LYS29A, LYS29C, LYS30A, LYS30C, LYS8A, LYS8C, MET31A, MET31C, PHE13A, PHE13C, PHE17A, PHE17C, TRP7A, TRP7C
• A-D: GLU25A, GLY2D, HIS10A, HIS10D, HIS24A, HIS24D, ILE6A, ILE6D, LEU14A, LEU14D, LEU20A, LEU20D, LEU21A, LEU21D, LEU28A, LEU28D, LEU9A, LEU9D, MET31A, MET31D, PHE13A, PHE13D, PHE17A, PHE17D
• B-C: GLU25C, GLY2B, HIS10B, HIS10C, HIS24B, HIS24C, ILE6B, ILE6C, LEU14B, LEU14C, LEU20B, LEU20C, LEU21B, LEU21C, LEU28B, LEU28C, LEU9B, LEU9C, MET31B, MET31C, PHE13B, PHE13C, PHE17B, PHE17C
• B-D: ARG27B, ARG27D, GLU11B, GLU11D, GLU18B, GLU18D, GLU19B, GLU19D, GLU25B, GLU25D, GLU26B, GLU26D, GLY2B, GLY2D, GLY3B, GLY3D, HIS10B, HIS10D, HIS24B, HIS24D, ILE6B, ILE6D, LEU14B, LEU14D, LEU20B, LEU20D, LEU21B, LEU21D, LEU23B, LEU23D, LEU28B, LEU28D, LEU9B, LEU9D, LYS15B, LYS15D, LYS16B, LYS16D, LYS22B, LYS22D, LYS29B, LYS29D, LYS30B, LYS30D, MET31B, MET31D, PHE13B, PHE13D, PHE17B, PHE17D, TRP7B, TRP7D
• C-D: ARG27C, ARG27D, GLU11C, GLU11D, GLU12C, GLU12D, GLU18C, GLU18D, GLU19C, GLU19D, GLU25C, GLU25D, GLU26C, GLU5C, GLU5D, GLY2C, GLY2D, GLY3C, GLY4C, HIS10C, HIS10D, HIS24C, HIS24D, ILE6C, ILE6D, LEU14C, LEU14D, LEU20C, LEU20D, LEU21C, LEU21D, LEU23C, LEU23D, LEU28C, LEU28D, LEU9C, LEU9D, LYS15C, LYS15D, LYS16C, LYS16D, LYS22C, LYS22D, LYS29C, LYS30C, LYS8C, LYS8D, MET31C, MET31D, PHE13C, PHE13D, PHE17C, PHE17D, TRP7C, TRP7D