3BYB

crystal structure of textilinin-1, a kunitz-type serine protease inhibitor from the australian common brown snake venom

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 61
  • Norm. En. per Res.: -3.8408
• 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	-34.4449	-27.8876	-64.3849	-126.7174	33	5	0	2162	2	4	1
A-C	-50.0087	-28.4471	-155.834	-234.2898	61	9	4	6243	3	23	21
B-C	-11.1913	7.1821	-40.2305	-44.2398	25	2	0	1486	0	11	12

Interface residues

• A-B: ALA44B, ARG17A, ARG17B, ARG19A, ARG19B, ASN43B, ASN46B, CYS16B, CYS40B, GLU34A, GLU41B, GLU51A, GLY38A, GLY38B, GLY39A, GLY39B, GLY42B, ILE36A, ILE48A, ILE48B, LYS50A, PHE20A, PHE20B, PHE23A, PHE47A, PRO15B, PRO21A, SER22A, THR49A, TYR37A, TYR37B, VAL18A, VAL18B
• A-C: ALA11A, ALA11C, ARG17A, ARG17C, ARG19A, ARG19C, ASN26A, ASN26C, ASN43A, ASN43C, ASN45C, ASP12A, ASP12C, ASP28A, ASP28C, CYS16A, CYS16C, CYS32A, CYS32C, CYS40C, GLU29A, GLU29C, GLU34A, GLU34C, GLU41C, GLU8C, GLY14A, GLY14C, GLY38A, GLY38C, GLY42A, GLY42C, ILE36A, ILE36C, LEU33A, LEU33C, LEU9A, LEU9C, LYS30C, LYS31A, LYS31C, LYS50A, LYS50C, PHE20A, PHE23A, PHE35A, PHE35C, PRO10A, PRO10C, PRO15A, PRO15C, PRO21A, PRO27C, SER22A, THR13A, THR13C, TYR24A, TYR24C, TYR37A, TYR37C, VAL18C
• B-C: ALA44B, ARG3B, ARG3C, ASN43B, ASP28C, ASP2B, ASP2C, ASP5B, ASP5C, CYS7B, CYS7C, GLU52B, GLU8B, GLU8C, LEU9B, LEU9C, LYS1C, PHE47B, PHE6B, PHE6C, PRO10C, PRO27C, PRO4B, PRO4C, THR56B