3O1J

crystal structure of the tors sensor domain - tort complex in the absence of isopropanol

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 59
  • Norm. En. per Res.: -5.4762
• Hub Node: A(3)

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	-55.512	-9.8341	-564.724	-630.0701	248	28	28	24573	3	64	68
A-C	-27.3358	-151.1843	-134.965	-313.4851	61	14	0	5596	13	52	39
A-D	-6.2897	-37.3633	-193.744	-237.397	103	11	1	9273	0	38	35
B-C	-12.5927	-35.4569	-188.621	-236.6705	102	11	1	9135	0	37	33
B-D	-43.0471	-147.7577	-132.291	-323.0959	59	13	0	5507	12	52	37
C-D	0.0	0.0	-0.0037	-0.0037	4	0	0	2	0	1	0

Interface residues

• A-B: ALA172A, ALA172B, ALA174A, ALA174B, ALA185A, ALA185B, ALA194A, ALA194B, ALA197A, ALA197B, ALA216A, ALA216B, ALA226A, ALA226B, ALA55A, ALA55B, ALA75B, ARG151A, ARG162A, ARG162B, ARG227A, ARG227B, ARG234A, ARG234B, ARG56A, ARG56B, ARG64A, ARG64B, ASN175A, ASN175B, ASN186A, ASN186B, ASN221A, ASN221B, ASN231A, ASN231B, ASN245A, ASN245B, ASN307A, ASN307B, ASN311A, ASN311B, ASN318A, ASN318B, ASN74A, ASN74B, ASP181A, ASP181B, ASP189A, ASP189B, ASP196A, ASP196B, ASP202A, ASP202B, ASP204A, ASP204B, ASP233A, ASP233B, ASP315A, ASP315B, ASP316A, ASP316B, GLN166A, GLN166B, GLN190A, GLN190B, GLN193A, GLN193B, GLN222A, GLN222B, GLN237A, GLN237B, GLN293A, GLN293B, GLN294A, GLN294B, GLN297A, GLN297B, GLN57A, GLN57B, GLN70A, GLN70B, GLN76A, GLN76B, GLU158A, GLU158B, GLU184A, GLU184B, GLU200A, GLU200B, GLU207A, GLU207B, GLU211A, GLU211B, GLU224A, GLU224B, GLU225A, GLU225B, GLU290A, GLU290B, GLU301A, GLU301B, GLU305A, GLU305B, GLU60A, GLU60B, HIS178A, HIS178B, HIS210A, HIS210B, HIS213A, HIS213B, ILE171A, ILE171B, ILE179A, ILE179B, ILE223A, ILE223B, ILE235A, ILE235B, ILE238A, ILE238B, ILE53A, ILE53B, ILE65A, ILE65B, ILE66A, ILE66B, LEU182A, LEU182B, LEU183A, LEU183B, LEU195A, LEU195B, LEU198A, LEU198B, LEU203A, LEU203B, LEU209A, LEU209B, LEU212A, LEU212B, LEU214A, LEU214B, LEU215A, LEU215B, LEU220A, LEU220B, LEU229A, LEU229B, LEU300A, LEU300B, LEU302A, LEU302B, LEU306A, LEU313A, LEU313B, LEU61B, LEU72A, LEU72B, LYS136B, LYS187A, LYS187B, LYS188A, LYS188B, LYS218A, LYS218B, LYS298A, LYS298B, LYS312A, LYS312B, LYS319A, MET219A, MET219B, MET296A, MET296B, MET52A, MET52B, MET71A, MET71B, PHE217A, PHE217B, PHE303A, PHE303B, SER169A, SER169B, SER292A, SER292B, SER304A, SER304B, SER308A, SER308B, SER317A, SER59A, SER59B, SER62A, SER62B, SER67A, SER67B, SER68A, SER68B, SER73A, SER73B, THR161A, THR161B, THR168A, THR168B, THR170A, THR170B, THR177A, THR177B, THR206A, THR206B, THR228A, THR228B, THR230A, THR230B, THR299A, THR299B, THR309A, THR309B, THR63A, THR63B, TYR180A, TYR180B, TYR192A, TYR192B, TYR286A, TYR286B, VAL165A, VAL165B, VAL173A, VAL173B, VAL176A, VAL176B, VAL191A, VAL191B, VAL199A, VAL199B, VAL232A, VAL232B, VAL310A, VAL310B, VAL314A, VAL314B, VAL58B, VAL69A, VAL69B
• A-C: ALA194A, ALA197A, ALA232C, ALA233C, ALA240C, ALA255A, ARG208A, ARG208C, ARG213C, ARG238C, ARG251A, ARG252A, ARG259C, ARG263C, ASN209C, ASN264C, ASP189A, ASP196A, ASP202A, ASP203C, ASP204A, GLN190A, GLN193A, GLN207C, GLN212C, GLU200A, GLU205C, GLU207A, GLU211A, GLU231C, GLU236C, GLU257A, GLY256C, GLY260C, ILE234C, ILE248A, LEU195A, LEU198A, LEU203A, LEU205A, LEU206C, LEU209A, LEU210C, LEU212A, LEU215A, LEU237C, LEU254A, LEU262C, LYS188A, LYS204C, LYS265C, SER235C, SER239C, THR206A, THR243C, TYR192A, VAL191A, VAL199A, VAL201A, VAL256A, VAL266C
• A-D: ALA172A, ALA174A, ALA194A, ALA197A, ALA68D, ARG151A, ARG162A, ARG259D, ARG261A, ARG263D, ARG325D, ARG64D, ARG76D, ASN167A, ASN175A, ASN202D, ASN49D, ASN73D, ASP181A, ASP202A, ASP203D, ASP258A, ASP312D, ASP42D, GLN159A, GLN164A, GLN166A, GLN264A, GLN267A, GLN79D, GLN80D, GLU155A, GLU156A, GLU158A, GLU184A, GLU205D, GLU231D, GLU257A, GLU323D, GLU67D, GLY256D, GLY260D, GLY69D, GLY70D, HIS178A, HIS255D, HIS39D, ILE171A, ILE179A, ILE234D, ILE315D, LEU152A, LEU153A, LEU157A, LEU160A, LEU182A, LEU183A, LEU205A, LEU209A, LEU262D, LEU268A, LEU310D, LEU319D, LEU40D, LEU46D, LEU66D, LEU83D, LYS204D, LYS263A, LYS265D, LYS41D, PHE328D, PRO259A, PRO321D, PRO326D, PRO72D, SER154A, SER169A, SER254D, SER320D, SER322D, SER329D, SER43D, SER47D, SER75D, THR163A, THR168A, THR170A, THR177A, THR260A, THR327D, TRP45D, TYR180A, TYR258D, TYR324D, TYR44D, VAL165A, VAL173A, VAL176A, VAL201A, VAL228D, VAL257D, VAL65D
• B-C: ALA172B, ALA174B, ALA194B, ALA197B, ALA68C, ARG162B, ARG238C, ARG259C, ARG261B, ARG263C, ARG325C, ARG64C, ARG76C, ASN167B, ASN175B, ASN202C, ASN49C, ASN73C, ASP181B, ASP202B, ASP203C, ASP258B, ASP312C, ASP42C, GLN159B, GLN164B, GLN166B, GLN264B, GLN267B, GLN79C, GLN80C, GLU155B, GLU156B, GLU158B, GLU184B, GLU205C, GLU231C, GLU257B, GLU323C, GLU67C, GLY256C, GLY260C, GLY69C, GLY70C, HIS178B, HIS255C, HIS39C, ILE171B, ILE179B, ILE234C, ILE315C, LEU152B, LEU153B, LEU157B, LEU160B, LEU182B, LEU183B, LEU205B, LEU262C, LEU268B, LEU310C, LEU319C, LEU40C, LEU46C, LEU66C, LEU83C, LYS204C, LYS263B, LYS265C, LYS41C, PHE328C, PRO259B, PRO321C, PRO326C, PRO72C, SER154B, SER169B, SER254C, SER320C, SER322C, SER329C, SER43C, SER47C, SER75C, THR161B, THR163B, THR168B, THR170B, THR177B, THR260B, THR327C, TRP45C, TYR180B, TYR258C, TYR324C, TYR44C, VAL165B, VAL173B, VAL176B, VAL201B, VAL257C, VAL65C
• B-D: ALA194B, ALA197B, ALA232D, ALA233D, ALA240D, ALA255B, ARG208B, ARG208D, ARG213D, ARG238D, ARG251B, ARG252B, ARG259D, ARG263D, ASN209D, ASP189B, ASP196B, ASP202B, ASP203D, ASP204B, GLN190B, GLN193B, GLN207D, GLN212D, GLU200B, GLU205D, GLU207B, GLU211B, GLU231D, GLU236D, GLU257B, GLY256D, GLY260D, ILE234D, ILE248B, LEU195B, LEU198B, LEU203B, LEU205B, LEU206D, LEU209B, LEU210D, LEU212B, LEU215B, LEU237D, LEU254B, LEU262D, LYS188B, LYS204D, LYS265D, SER235D, SER239D, THR206B, THR243D, TYR192B, VAL191B, VAL199B, VAL201B, VAL256B
• C-D: ARG238C, ARG238D, GLU323C, GLU323D