3FHJ

independent saturation of three trprs subsites generates a partially-assembled state similar to those observed in molecular simulations

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 178
  • Norm. En. per Res.: -4.9571
• Hub Node: D(4)

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	-142.4627	-148.8713	-591.038	-882.3719	178	51	16	23721	10	34	26
A-C	0.0	-4.9519	-12.6687	-17.6206	17	0	0	707	0	4	1
D-B	0.0	2.4487	-0.9009	1.5479	10	0	0	114	0	1	2
D-C	-155.5108	-136.5252	-595.344	-887.38	180	48	17	23077	10	33	25
D-E	0.0	0.0	-88.4251	-88.4251	50	5	0	2980	0	23	10
D-F	0.0	0.0	-0.3665	-0.3665	7	0	0	79	0	1	0
B-C	0.0	0.0	-70.8729	-70.8729	51	3	0	2799	0	14	9
C-E	0.0	0.0	-0.5049	-0.5049	9	0	0	127	0	1	0
E-F	-172.5976	-130.5531	-567.297	-870.4477	183	55	16	23616	10	35	24

Interface residues

• A-B: ALA120A, ALA120B, ALA304A, ALA304B, ALA321A, ALA321B, ALA44A, ALA44B, ALA62A, ALA62B, ALA85A, ALA85B, ALA87A, ALA87B, ALA89A, ALA89B, ALA90A, ALA90B, ARG160A, ARG160B, ARG164A, ARG164B, ARG298A, ARG298B, ARG316A, ARG316B, ARG326A, ARG326B, ARG55A, ARG55B, ARG59A, ARG59B, ASN308A, ASN308B, ASP297A, ASP297B, ASP301A, ASP301B, ASP41A, ASP41B, ASP50A, ASP50B, CYS95A, CYS95B, GLN320A, GLN320B, GLN42A, GLN42B, GLN49A, GLN49B, GLN56A, GLN56B, GLN80A, GLN80B, GLN88A, GLN88B, GLN94A, GLN94B, GLU101A, GLU101B, GLU103A, GLU103B, GLU294A, GLU294B, GLU295A, GLU295B, GLU302A, GLU302B, GLU305A, GLU305B, GLU319A, GLU319B, GLU53A, GLU53B, GLU82A, GLU82B, GLY100A, GLY100B, GLY121A, GLY121B, GLY303A, GLY303B, GLY323A, GLY323B, GLY325A, GLY325B, HIS43A, HIS43B, HIS52A, HIS52B, HIS86A, HIS86B, ILE39A, ILE39B, ILE45A, ILE45B, ILE58A, ILE58B, ILE79A, ILE79B, ILE96A, ILE96B, ILE99A, ILE99B, LEU102A, LEU102B, LEU122A, LEU122B, LEU123A, LEU123B, LEU128A, LEU128B, LEU157A, LEU296A, LEU296B, LEU300A, LEU300B, LEU324A, LEU324B, LEU54A, LEU54B, LEU77A, LEU93A, LEU93B, LYS317A, LYS317B, MET129A, MET129B, MET318A, MET318B, MET322A, MET322B, MET92A, MET92B, PHE161A, PHE161B, PHE78A, PHE78B, PRO126A, PRO126B, PRO127A, PRO127B, PRO51A, PRO51B, PRO84A, PRO84B, SER119A, SER119B, SER81A, SER81B, THR124A, THR124B, THR46A, THR46B, TRP48A, TRP48B, TRP91A, TRP91B, TYR125A, TYR125B, TYR165A, TYR165B, TYR98A, TYR98B, VAL118A, VAL118B, VAL299A, VAL299B, VAL315A, VAL315B, VAL40A, VAL40B, VAL47A, VAL47B, VAL83A, VAL83B, VAL97A, VAL97B
• A-C: ALA321A, ARG160A, ARG164A, ASN162A, GLU159A, GLU225C, GLY226C, GLY237C, LYS163A, PHE161A, PRO189C, PRO236C, SER224C, THR190C, THR227C, TYR165A, TYR98A
• D-B: ARG160D, GLU159D, GLU225B, ILE96D, PHE161D, PRO189B, PRO236B, SER224B, THR190B, TYR98D
• D-C: ALA120C, ALA120D, ALA304C, ALA304D, ALA321C, ALA321D, ALA44C, ALA44D, ALA62C, ALA62D, ALA85C, ALA85D, ALA87C, ALA87D, ALA89C, ALA89D, ALA90C, ALA90D, ARG160C, ARG160D, ARG164C, ARG298C, ARG298D, ARG316C, ARG316D, ARG326C, ARG326D, ARG55C, ARG55D, ARG59C, ARG59D, ASN308C, ASN308D, ASN57C, ASP297C, ASP297D, ASP301C, ASP301D, ASP41C, ASP41D, ASP50C, ASP50D, CYS95C, CYS95D, GLN320C, GLN320D, GLN42C, GLN42D, GLN49C, GLN49D, GLN56C, GLN56D, GLN80C, GLN80D, GLN88C, GLN88D, GLN94C, GLN94D, GLU101C, GLU101D, GLU103C, GLU103D, GLU294C, GLU294D, GLU295C, GLU295D, GLU302C, GLU302D, GLU305C, GLU305D, GLU319C, GLU319D, GLU53C, GLU53D, GLU82C, GLU82D, GLY100C, GLY100D, GLY121C, GLY121D, GLY303C, GLY303D, GLY323C, GLY323D, GLY325C, GLY325D, HIS43C, HIS43D, HIS52C, HIS52D, HIS86C, HIS86D, ILE39C, ILE39D, ILE45C, ILE45D, ILE58C, ILE58D, ILE79C, ILE79D, ILE96C, ILE96D, ILE99C, ILE99D, LEU102C, LEU102D, LEU122C, LEU122D, LEU123C, LEU123D, LEU128C, LEU128D, LEU157C, LEU296C, LEU296D, LEU300C, LEU300D, LEU324C, LEU324D, LEU54C, LEU54D, LEU77C, LEU77D, LEU93C, LEU93D, LYS317C, LYS317D, MET129C, MET129D, MET318C, MET318D, MET322C, MET322D, MET92C, MET92D, PHE161C, PHE161D, PHE78C, PHE78D, PRO10D, PRO126C, PRO126D, PRO127C, PRO127D, PRO51C, PRO51D, PRO84C, PRO84D, SER119C, SER119D, SER312C, SER81C, SER81D, THR124C, THR124D, THR46C, THR46D, TRP48C, TRP48D, TRP91C, TRP91D, TYR125C, TYR125D, TYR165C, TYR98C, TYR98D, VAL118C, VAL118D, VAL299C, VAL299D, VAL315C, VAL315D, VAL40C, VAL40D, VAL47C, VAL47D, VAL83C, VAL83D, VAL97C, VAL97D
• D-E: ALA220D, ARG60E, ASN199D, ASN199E, ASP188D, ASP188E, ASP197D, ASP197E, ASP50D, ASP50E, GLN49D, GLN49E, GLU53D, GLU53E, GLY237E, ILE238D, ILE238E, LEU186D, LYS191D, LYS191E, LYS195D, LYS195E, LYS201D, PRO189D, PRO189E, PRO198D, PRO198E, PRO200D, PRO200E, PRO236E, SER119D, SER119E, SER185D, SER194D, SER194E, SER196D, SER196E, SER219D, SER219E, THR190D, THR190E, TRP48D, TRP48E, TYR203D, TYR203E, VAL118E, VAL187D, VAL187E, VAL47D, VAL47E
• D-F: ARG164F, ASP188D, ILE238D, LYS163F, PRO189D, THR190D, TYR98F
• B-C: ASN199B, ASN199C, ASP188B, ASP188C, ASP197B, ASP197C, ASP50B, ASP50C, GLN49B, GLN49C, GLU53B, GLU53C, GLY237B, GLY237C, ILE238C, LEU122B, LEU122C, LEU186B, LYS191B, LYS191C, LYS195B, LYS195C, LYS201C, PRO189B, PRO189C, PRO198B, PRO198C, PRO200B, PRO200C, PRO236B, PRO236C, PRO51B, SER119B, SER119C, SER194B, SER194C, SER196B, SER196C, SER224C, THR190B, THR190C, TRP48B, TRP48C, TYR203B, TYR203C, VAL118B, VAL118C, VAL187B, VAL187C, VAL47B, VAL47C
• C-E: ARG160C, ARG164C, ASP188E, GLY237E, LYS163C, PRO189E, PRO236E, THR190E, TYR98C
• E-F: ALA120E, ALA120F, ALA304E, ALA304F, ALA321E, ALA321F, ALA44E, ALA44F, ALA62E, ALA62F, ALA85E, ALA85F, ALA87E, ALA87F, ALA89E, ALA89F, ALA90E, ALA90F, ARG160E, ARG160F, ARG164E, ARG164F, ARG298E, ARG298F, ARG316E, ARG316F, ARG326E, ARG326F, ARG55E, ARG55F, ARG59E, ARG59F, ASN308E, ASN308F, ASP297E, ASP297F, ASP301E, ASP301F, ASP41E, ASP41F, ASP50E, ASP50F, CYS95E, CYS95F, GLN320E, GLN320F, GLN42E, GLN42F, GLN49E, GLN49F, GLN56E, GLN56F, GLN80E, GLN80F, GLN88E, GLN88F, GLN94E, GLN94F, GLU101E, GLU101F, GLU103E, GLU103F, GLU294E, GLU294F, GLU295E, GLU295F, GLU302E, GLU302F, GLU305E, GLU305F, GLU319E, GLU319F, GLU53E, GLU53F, GLU82E, GLU82F, GLY100E, GLY100F, GLY121E, GLY121F, GLY303E, GLY303F, GLY323E, GLY323F, GLY325E, GLY325F, HIS43E, HIS43F, HIS52E, HIS52F, HIS86E, HIS86F, ILE39E, ILE39F, ILE45E, ILE45F, ILE58E, ILE58F, ILE79E, ILE79F, ILE96E, ILE96F, ILE99E, ILE99F, LEU102E, LEU102F, LEU122E, LEU122F, LEU123E, LEU123F, LEU128E, LEU128F, LEU157E, LEU157F, LEU296E, LEU296F, LEU300E, LEU300F, LEU324E, LEU324F, LEU54E, LEU54F, LEU77E, LEU77F, LEU93E, LEU93F, LYS317E, LYS317F, MET129E, MET129F, MET318E, MET318F, MET322E, MET322F, MET92E, MET92F, PHE161E, PHE161F, PHE78E, PHE78F, PRO10F, PRO126E, PRO126F, PRO127E, PRO127F, PRO51E, PRO51F, PRO84E, PRO84F, SER119E, SER119F, SER312E, SER312F, SER81E, SER81F, THR124E, THR124F, THR46E, THR46F, TRP48E, TRP48F, TRP91E, TRP91F, TYR125E, TYR125F, TYR165E, TYR165F, TYR98E, TYR98F, VAL118E, VAL118F, VAL299E, VAL299F, VAL315E, VAL315F, VAL40E, VAL40F, VAL47E, VAL47F, VAL83E, VAL83F, VAL97E, VAL97F