2HEX

decamers observed in the crystals of bovine pancreatic trypsin inhibitor

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 37
  • Norm. En. per Res.: -1.6708
• Hub Node: A(4)

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	17.2518	-66.3287	-49.0769	34	5	3	3295	0	1	12
A-C	0.0	0.0	-0.0064	-0.0064	2	0	0	6	0	0	2
A-D	0.0	0.0	-0.0978	-0.0978	3	0	0	36	0	0	2
A-E	0.0	20.5796	-61.8081	-41.2285	38	3	3	3307	0	2	11
B-C	-9.1286	15.8611	-68.5531	-61.8207	37	2	3	3230	0	2	12
B-D	0.0	0.0	-0.0085	-0.0085	4	0	0	8	0	0	2
B-E	0.0	0.0	-0.0047	-0.0047	2	0	0	4	0	0	2
C-D	-19.4317	28.7412	-78.4466	-69.1371	43	8	3	4013	0	2	11
C-E	0.0	0.0	-0.0136	-0.0136	3	0	0	11	0	0	2
D-E	0.0	24.0596	-71.858	-47.7985	38	6	3	3765	0	2	12

Interface residues

• A-B: ALA16A, ALA16B, ALA40A, ALA48B, ARG17A, ARG17B, ARG20A, ARG20B, ARG39A, ASN44A, CYS14A, CYS38A, GLN31B, GLU49B, GLY36A, GLY37A, ILE18A, ILE18B, ILE19A, ILE19B, LYS15A, LYS46A, LYS46B, PHE22B, PHE33B, PRO13A, PRO9B, SER47B, THR11B, THR32B, TYR21B, TYR35A, TYR35B, VAL34B
• A-C: ARG17A, ARG17C
• A-D: ARG17A, ARG17D, LYS15D
• A-E: ALA16A, ALA16E, ALA27A, ALA40E, ALA48A, ARG17A, ARG17E, ARG20A, ARG20E, ARG39E, ARG42E, ASN24A, ASN44E, CYS14E, CYS38E, GLN31A, GLU49A, GLY36E, GLY37E, ILE18A, ILE18E, ILE19A, LEU29A, LYS15E, LYS26A, LYS46A, LYS46E, PHE22A, PHE33A, PRO13E, PRO9A, SER47A, THR11A, THR32A, TYR21A, TYR35A, TYR35E, VAL34A
• B-C: ALA16B, ALA16C, ALA40B, ALA48C, ARG17B, ARG17C, ARG20B, ARG20C, ARG39B, ARG42B, ASN24C, ASN44B, CYS14B, CYS38B, GLN31C, GLU49C, GLY36B, GLY37B, ILE18B, ILE18C, ILE19B, ILE19C, LEU29C, LYS15B, LYS46B, LYS46C, PHE22C, PHE33C, PRO13B, PRO9C, SER47C, THR11C, THR32C, TYR21C, TYR35B, TYR35C, VAL34C
• B-D: ALA16B, ARG17B, ARG17D, LYS15B
• B-E: ARG17B, ARG17E
• C-D: ALA16C, ALA16D, ALA27D, ALA40C, ALA48D, ARG17C, ARG17D, ARG20C, ARG20D, ARG39C, ARG42C, ASN24D, ASN44C, CYS14C, CYS14D, CYS38C, GLN31D, GLU49D, GLY12D, GLY36C, GLY36D, GLY37C, ILE18C, ILE18D, ILE19D, LEU29D, LYS15C, LYS15D, LYS46C, LYS46D, PHE22D, PHE33D, PRO13C, PRO13D, PRO9D, SER47D, THR11D, THR32D, TYR21D, TYR35C, TYR35D, VAL34C, VAL34D
• C-E: ARG17C, ARG17E, LYS15C
• D-E: ALA16D, ALA16E, ALA40D, ALA48E, ARG17D, ARG17E, ARG20D, ARG20E, ARG39D, ASN44D, CYS14D, CYS14E, CYS38D, GLN31E, GLU49E, GLY36D, GLY36E, GLY37D, ILE18D, ILE18E, ILE19D, ILE19E, LYS15D, LYS15E, LYS26E, LYS46D, LYS46E, PHE22E, PHE33E, PRO13D, PRO9E, SER47E, THR11E, THR32E, TYR21E, TYR35D, TYR35E, VAL34E