2XVI

crystal structure of the mutant bacterial flavin containing monooxygenase (y207s)

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 177
  • Norm. En. per Res.: -2.9147
• 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	-31.861	-83.2733	-400.764	-515.8984	177	16	0	17224	7	113	115
B-C	-10.612	-14.5141	-60.9644	-86.0905	43	0	0	2414	5	20	28

Interface residues

• A-B: ALA125A, ALA125B, ALA192A, ALA192B, ALA267A, ALA267B, ARG100A, ARG100B, ARG127A, ARG127B, ARG182A, ARG182B, ARG190A, ARG190B, ARG286A, ARG286B, ARG52A, ARG52B, ARG68A, ARG68B, ASN282A, ASN282B, ASN48B, ASN58A, ASN58B, ASP144A, ASP144B, ASP148A, ASP148B, ASP188A, ASP188B, ASP191A, ASP191B, ASP197B, ASP251A, ASP251B, ASP266A, ASP266B, ASP283A, ASP283B, ASP284A, ASP284B, ASP56A, ASP56B, GLN143A, GLN143B, GLU130A, GLU130B, GLU172A, GLU172B, GLU177A, GLU177B, GLU194A, GLU194B, GLU253A, GLU253B, GLU57A, GLU57B, GLU60A, GLU60B, GLY175A, GLY175B, GLY180A, GLY180B, GLY181A, GLY181B, GLY54A, GLY54B, GLY59A, GLY59B, HIS128A, HIS128B, HIS145A, HIS145B, HIS185A, HIS185B, HIS187A, HIS187B, HIS276A, HIS276B, HIS277A, HIS277B, HIS63A, HIS63B, ILE150A, ILE150B, ILE183A, ILE183B, ILE268A, ILE268B, ILE275A, ILE275B, LEU184A, LEU184B, LEU193A, LEU193B, LEU270A, LEU270B, LEU281A, LEU281B, LEU285A, LEU285B, LEU287B, LEU55A, LEU55B, LYS178A, LYS178B, LYS196A, LYS196B, LYS198A, LYS198B, LYS39A, LYS39B, PHE173A, PHE173B, PHE176A, PHE176B, PHE179A, PHE179B, PHE195A, PHE195B, PHE278A, PHE278B, PHE280A, PHE280B, PRO168A, PRO168B, PRO171A, PRO171B, PRO279A, PRO279B, PRO61A, PRO61B, SER152A, SER152B, SER166A, SER166B, SER439A, THR139A, THR139B, THR141A, THR141B, THR147A, THR147B, THR149A, THR149B, THR167A, THR167B, THR252A, THR252B, THR289A, THR289B, THR50A, THR50B, THR53A, THR53B, TRP104B, TRP51A, TRP51B, TYR151A, TYR151B, TYR169A, TYR169B, TYR274A, TYR274B, TYR49A, TYR49B, TYR69A, TYR69B, VAL142A, VAL142B, VAL170A, VAL170B, VAL288A, VAL288B, VAL62A, VAL62B
• B-C: ALA24B, ALA258C, ALA29B, ALA350C, ALA354C, ARG249C, ARG286C, ARG292C, ARG339B, ARG356C, ASN246C, ASN290C, ASN297C, ASP306C, GLN22B, GLN25B, GLU26B, GLU305C, GLU30B, GLU346C, GLU357C, GLU359C, GLU441B, GLY28B, GLY91B, HIS89B, ILE31B, LEU296C, LEU360C, LYS118B, LYS27B, LYS345C, LYS349C, LYS92B, MET337B, MET353C, SER23B, SER352C, THR289C, TRP294C, TRP355C, VAL248C, VAL288C