1TRO

crystal structure of trp repressor operator complex at atomic resolution

• Total interactions analyzed: 28
• Total true interactions: 2
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 148
  • Norm. En. per Res.: -4.2052
• 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-C	-49.3755	-42.4797	-494.942	-586.7971	158	19	21	24419	13	63	70
E-G	-57.0655	-88.176	-477.123	-622.3646	148	27	19	22914	16	61	65

Interface residues

• A-C: ALA12A, ALA12C, ALA29A, ALA29C, ALA50A, ALA50C, ALA77A, ALA91A, ALA91C, ALA92A, ALA92C, ARG15A, ARG15C, ARG21A, ARG21C, ARG48A, ARG48C, ARG54A, ARG54C, ARG56A, ARG56C, ARG63A, ARG63C, ARG84A, ARG84C, ARG97A, ARG97C, ASN28A, ASN28C, ASN32A, ASN32C, ASN40A, ASN40C, ASN73A, ASN87A, ASN87C, ASP108A, ASP108C, ASP24A, ASP24C, ASP33A, ASP33C, ASP46A, ASP46C, GLN17A, GLN17C, GLN31A, GLN31C, GLN98A, GLN98C, GLU101A, GLU102A, GLU102C, GLU13C, GLU14A, GLU14C, GLU18A, GLU18C, GLU47A, GLU47C, GLU49A, GLU49C, GLU59A, GLU59C, GLU60A, GLU60C, GLU74A, GLU95A, GLU95C, GLY52A, GLY52C, GLY76A, GLY85A, GLY85C, HIS16A, HIS16C, HIS35A, HIS35C, ILE57A, ILE57C, LEU100A, LEU100C, LEU104A, LEU104C, LEU105A, LEU105C, LEU20A, LEU20C, LEU25A, LEU25C, LEU26A, LEU26C, LEU34A, LEU34C, LEU36A, LEU36C, LEU38A, LEU38C, LEU39A, LEU39C, LEU41A, LEU41C, LEU43A, LEU43C, LEU51A, LEU51C, LEU61A, LEU61C, LEU62A, LEU62C, LEU71A, LEU75A, LEU75C, LEU89A, LEU89C, LEU96A, LEU96C, LYS27A, LYS27C, LYS72A, LYS90A, LYS90C, MET11A, MET11C, MET42A, MET42C, PHE22A, PHE22C, PRO37A, PRO37C, PRO45A, PRO45C, PRO93A, PRO93C, SER107A, SER86A, SER86C, SER88A, SER88C, THR44A, THR44C, THR53A, THR53C, TRP19A, TRP19C, TRP99A, TRP99C, TYR30A, TYR30C, VAL103A, VAL103C, VAL23A, VAL23C, VAL55A, VAL55C, VAL58A, VAL58C, VAL94A
• E-G: ALA12E, ALA12G, ALA29E, ALA29G, ALA50E, ALA50G, ALA91E, ALA91G, ALA92E, ALA92G, ARG15E, ARG15G, ARG21E, ARG21G, ARG48E, ARG48G, ARG54E, ARG54G, ARG56E, ARG56G, ARG63E, ARG84E, ARG84G, ARG97E, ARG97G, ASN28E, ASN28G, ASN32E, ASN32G, ASN40E, ASN40G, ASN87E, ASN87G, ASP108E, ASP24E, ASP24G, ASP33E, ASP33G, ASP46E, ASP46G, GLN17E, GLN17G, GLN31E, GLN31G, GLN98E, GLN98G, GLU101G, GLU102E, GLU102G, GLU14E, GLU14G, GLU18E, GLU18G, GLU47E, GLU47G, GLU49E, GLU49G, GLU59E, GLU59G, GLU60G, GLU95E, GLU95G, GLY52E, GLY52G, GLY85E, GLY85G, HIS16E, HIS16G, HIS35E, HIS35G, ILE57E, ILE57G, LEU100E, LEU100G, LEU104E, LEU104G, LEU105E, LEU105G, LEU20E, LEU20G, LEU25E, LEU25G, LEU26E, LEU26G, LEU34E, LEU34G, LEU36E, LEU36G, LEU38E, LEU38G, LEU39E, LEU39G, LEU41E, LEU41G, LEU43E, LEU43G, LEU51E, LEU51G, LEU61E, LEU61G, LEU62E, LEU62G, LEU75E, LEU75G, LEU89E, LEU89G, LEU96E, LEU96G, LYS106E, LYS27E, LYS27G, LYS90E, LYS90G, MET11G, MET42E, MET42G, PHE22E, PHE22G, PRO37E, PRO37G, PRO45E, PRO45G, PRO93E, PRO93G, SER107E, SER86E, SER86G, SER88E, SER88G, THR44E, THR44G, THR53E, THR53G, TRP19E, TRP19G, TRP99E, TRP99G, TYR30E, TYR30G, VAL103E, VAL103G, VAL23E, VAL23G, VAL55E, VAL55G, VAL58E, VAL58G, VAL94G