1WRL

crystal structure of the n-terminal domain of human cardiac troponin c in complex with trifluoperazine (monoclinic crystal form)

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 48
  • Norm. En. per Res.: -2.1892
• 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	-6.6517	0.0	-91.1789	-97.8306	54	4	4	3713	0	4	4
A-C	0.0	1.5448	-20.8651	-19.3203	23	2	0	911	0	18	12
A-F	-6.2258	17.1567	-28.8872	-17.9563	21	1	0	1219	0	5	7
B-E	-9.5198	37.9504	-25.1365	3.2941	16	2	0	827	0	8	18
B-F	0.0	9.3355	-0.4168	8.9187	6	0	0	51	0	2	7
C-D	-7.8614	0.0	-87.3992	-95.2606	50	3	4	3625	0	4	5
C-F	-5.5921	33.8657	-12.1313	16.1423	39	2	0	951	3	28	44
E-F	-9.6664	0.0	-95.4167	-105.0831	48	4	4	3798	0	4	4

Interface residues

• A-B: ALA22A, ALA22B, ALA23A, ALA23B, ALA8A, ARG46A, ARG46B, ARG83A, ASN18A, ASN18B, ASN51A, ASN51B, ASP25A, ASP25B, GLN16A, GLN16B, GLN50A, GLN50B, GLU15A, GLU15B, GLU19A, GLU19B, GLU56A, GLY49A, GLY49B, ILE26A, ILE26B, LEU12A, LEU48A, LEU48B, LYS21A, LYS21B, LYS43B, MET45A, MET45B, MET47A, MET47B, MET81A, MET85A, MET85B, PHE20A, PHE20B, PHE24A, PHE24B, PHE27A, PHE27B, PHE77A, PHE77B, PRO52A, SER84A, SER84B, VAL44A, VAL44B, VAL82A
• A-C: ARG46A, ARG83C, ASN51A, ASP62C, ASP65C, ASP67C, GLN50A, GLN58A, GLU55A, GLU63C, GLU66C, GLU76C, GLY42A, GLY68C, GLY70C, LEU57A, LYS39A, LYS43A, PRO52A, PRO54A, SER69C, THR38A, THR53A
• A-F: ALA7F, ALA8F, ARG46A, ASN18F, ASN51A, GLN11F, GLN16F, GLN58A, GLU10F, GLU14F, GLU15F, GLU55A, GLU56A, GLU59A, LEU12F, LYS17F, PRO52A, PRO54A, THR13F, THR53A, VAL9F
• B-E: ASN18B, GLN16B, GLN58E, GLU14B, GLU15B, GLU55E, GLU56E, GLU59E, GLU63E, LEU12B, LEU57E, LYS17B, MET60E, PRO54E, THR13B, THR53E
• B-F: ASN18B, GLN16F, GLU15B, GLU15F, GLU19B, THR13F
• C-D: ALA22C, ALA22D, ALA23C, ALA23D, ARG46C, ARG46D, ASN18C, ASN18D, ASN51C, ASN51D, ASP25C, ASP25D, GLN16C, GLN16D, GLN50C, GLN50D, GLU15C, GLU15D, GLU19C, GLU19D, GLU56C, GLY49C, GLY49D, ILE26C, ILE26D, LEU29D, LEU48C, LEU48D, LYS21C, LYS21D, LYS43D, MET45C, MET45D, MET47C, MET47D, MET81C, MET85C, PHE20C, PHE20D, PHE24C, PHE24D, PHE27C, PHE27D, PHE77C, PHE77D, PRO52C, PRO52D, SER84C, VAL44C, VAL44D
• C-F: ASN18C, ASN18F, ASP25C, ASP25F, ASP33C, ASP67C, ASP67F, ASP73C, ASP73F, ASP75C, ASP75F, GLU10F, GLU14C, GLU14F, GLU32C, GLU66C, GLU66F, GLU76C, GLU76F, GLY34C, GLY68C, GLY70C, LEU12F, LEU78C, LYS17C, LYS17F, LYS21C, LYS21F, LYS6F, PHE24C, PHE74C, PHE74F, SER35C, SER69C, THR13F, THR71C, VAL28C, VAL9C, VAL9F
• E-F: ALA22E, ALA22F, ALA23E, ALA23F, ARG46E, ARG46F, ASN18E, ASN18F, ASN51E, ASN51F, ASP25E, ASP25F, GLN16E, GLN16F, GLN50E, GLN50F, GLU15E, GLU15F, GLU19E, GLU19F, GLU56E, GLY49E, GLY49F, ILE26E, ILE26F, LEU29F, LEU48E, LEU48F, LYS21E, LYS21F, LYS43F, MET45E, MET45F, MET47E, MET47F, MET81E, PHE20E, PHE20F, PHE24E, PHE24F, PHE27E, PHE27F, PHE77E, PHE77F, PRO52F, SER84E, VAL44E, VAL44F