1O83

crystal structure of bacteriocin as-48 at ph 7.5, phosphate bound. crystal form i

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 54
  • Norm. En. per Res.: -2.5025
• 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	0.0	0.0	-108.691	-108.691	56	1	9	4775	0	0	0
B-D	-29.3272	17.1243	-122.931	-135.1339	54	6	4	4787	2	14	15
C-D	0.0	0.0	-104.111	-104.111	57	0	8	4741	0	0	0

Interface residues

• A-B: ALA10A, ALA10B, ALA12A, ALA12B, ALA21A, ALA34A, ALA34B, ALA9A, ALA9B, ASN17A, ASN17B, GLU20A, GLY13A, GLY13B, GLY23A, GLY23B, GLY36A, GLY36B, GLY39A, GLY39B, GLY6B, ILE28A, ILE28B, ILE31A, ILE31B, ILE68B, ILE7A, ILE7B, LEU16A, LEU32A, LEU32B, LYS64A, PRO8A, PRO8B, SER30A, SER30B, THR14A, THR14B, THR26A, THR26B, THR27A, THR27B, THR33A, THR33B, TRP24A, TRP24B, VAL11A, VAL11B, VAL15A, VAL15B, VAL18A, VAL18B, VAL19A, VAL29A, VAL35A, VAL35B
• B-D: ALA2B, ALA2D, ALA44B, ALA44D, ALA45B, ALA45D, ALA46B, ALA46D, ALA69B, ARG48B, ARG48D, GLU49B, GLU49D, GLU4B, GLU4D, GLU58B, GLU58D, GLY38B, GLY38D, GLY47B, GLY47D, GLY6B, GLY6D, ILE7B, ILE7D, LEU40B, LEU40D, LEU42B, LEU42D, LEU43B, LEU43D, LYS3B, LYS3D, LYS57B, LYS57D, LYS61B, LYS61D, LYS62B, LYS62D, MET1B, MET1D, PHE5B, PHE5D, PRO8D, SER37B, SER37D, SER41B, SER41D, SER50B, TRP70B, TRP70D, TYR54B, TYR54D, VAL35D
• C-D: ALA10C, ALA10D, ALA12C, ALA12D, ALA21C, ALA34C, ALA34D, ALA9C, ALA9D, ASN17C, ASN17D, GLU20C, GLY13C, GLY13D, GLY23C, GLY23D, GLY36C, GLY36D, GLY39C, GLY39D, GLY6D, ILE28C, ILE28D, ILE31C, ILE31D, ILE68D, ILE7C, ILE7D, LEU16C, LEU32C, LEU32D, LYS64C, PRO8C, PRO8D, SER30C, SER30D, SER37D, THR14C, THR14D, THR26C, THR26D, THR27C, THR27D, THR33C, THR33D, TRP24C, TRP24D, VAL11C, VAL11D, VAL15C, VAL15D, VAL18C, VAL18D, VAL19C, VAL29C, VAL35C, VAL35D