3P24

structure of profragilysin-3 from bacteroides fragilis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 85
  • Norm. En. per Res.: -1.9232
• 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	-19.0622	46.7217	-189.302	-161.6425	96	13	0	7429	2	44	46
A-C	-20.9059	-4.3294	-138.234	-163.4693	85	5	0	5484	1	27	30
C-D	-19.5021	44.0136	-182.679	-158.1676	105	13	0	7391	2	44	46

Interface residues

• A-B: ALA49A, ALA49B, ARG80A, ARG80B, ARG91A, ARG91B, ASN259A, ASN259B, ASN53A, ASN53B, ASN87A, ASN87B, ASN89A, ASN89B, ASP107A, ASP107B, ASP47A, ASP47B, ASP54A, ASP54B, ASP57A, ASP57B, ASP86A, ASP86B, GLN51A, GLN51B, GLN84A, GLN84B, GLU108A, GLU108B, GLU128A, GLU128B, GLU216A, GLU216B, GLU88A, GLU88B, GLY106A, GLY106B, GLY59A, GLY59B, HIS261A, HIS261B, HIS74A, HIS74B, ILE83A, ILE83B, LEU105A, LEU105B, LEU52A, LEU52B, LEU85A, LEU85B, LYS127A, LYS127B, LYS60A, LYS60B, LYS79A, LYS79B, LYS82A, LYS82B, MET77A, MET77B, PHE262A, PHE58A, PHE58B, PHE93A, PHE93B, PRO214A, PRO214B, PRO217A, PRO217B, SER215A, SER215B, SER44A, SER56A, SER56B, THR219A, THR219B, THR46A, THR46B, THR50A, THR50B, TYR221A, TYR221B, TYR265A, TYR265B, TYR296A, TYR296B, TYR45A, TYR45B, VAL263A, VAL263B, VAL55A, VAL55B, VAL90A, VAL90B
• A-C: ALA140A, ALA141A, ALA148C, ALA270A, ARG116C, ARG147A, ARG147C, ARG162C, ARG164C, ARG226A, ARG305A, ARG71C, ASN117C, ASN150C, ASN176C, ASN185A, ASN228A, ASN275A, ASN311A, ASN312A, ASN67C, ASN70C, ASP160C, ASP310A, ASP39C, ASP66C, CYS157C, CYS271A, GLN339A, GLN41C, GLN72C, GLU119C, GLU134A, GLU137A, GLU151C, GLU153C, GLU156C, GLU188A, GLU227A, GLU268A, GLY118C, GLY229A, GLY274A, GLY279A, GLY307A, GLY68C, ILE149C, ILE158C, ILE313A, ILE63C, LEU184A, LEU186A, LEU303A, LEU64C, LYS144A, LYS145A, LYS152C, LYS179C, LYS182C, LYS65C, LYS98C, MET335A, PHE138A, PHE143A, PHE69C, PRO142A, PRO187A, PRO272A, SER161C, SER165C, SER230A, SER273A, THR146A, THR163C, THR231A, THR266A, THR308A, THR338A, TRP306A, TRP309A, TYR115C, TYR159C, TYR233A, TYR269A, VAL232A
• C-D: ALA49C, ALA49D, ARG162C, ARG162D, ARG80C, ARG80D, ARG91C, ARG91D, ASN259C, ASN259D, ASN53C, ASN53D, ASN87C, ASN87D, ASN89C, ASN89D, ASP107C, ASP107D, ASP47C, ASP47D, ASP54C, ASP54D, ASP57C, ASP57D, ASP86C, ASP86D, GLN51C, GLN51D, GLN84C, GLN84D, GLU108C, GLU108D, GLU128C, GLU128D, GLU216C, GLU216D, GLU88C, GLU88D, GLY106C, GLY106D, GLY295C, GLY295D, GLY59C, GLY59D, HIS261C, HIS261D, HIS74C, ILE83C, ILE83D, LEU105C, LEU105D, LEU52C, LEU52D, LEU85C, LEU85D, LYS127C, LYS127D, LYS292C, LYS292D, LYS60C, LYS60D, LYS79C, LYS79D, LYS82C, LYS82D, MET77C, MET77D, PHE262C, PHE262D, PHE58C, PHE58D, PHE93C, PHE93D, PRO214C, PRO217C, PRO217D, PRO291D, SER215C, SER215D, SER44C, SER56C, SER56D, THR163D, THR219C, THR219D, THR46C, THR46D, THR50C, THR50D, TYR221C, TYR221D, TYR265C, TYR265D, TYR296C, TYR296D, TYR45C, TYR45D, VAL263C, VAL263D, VAL34C, VAL34D, VAL55C, VAL55D, VAL90C, VAL90D