1PZU

an asymmetric nfat1-rhr homodimer on a pseudo-palindromic, kappa-b site

• Total interactions analyzed: 66
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 71
  • Norm. En. per Res.: -3.1178
• Hub Node: H(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
B-D	-36.8811	-34.4251	-150.056	-221.3623	71	28	0	6699	2	20	15
B-I	0.0	-14.7417	-20.4174	-35.1591	39	1	0	1086	1	11	21
D-H	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
H-I	-28.1469	-25.2007	-147.984	-201.3316	72	17	0	6405	2	20	16
H-M	0.0	0.0	-0.5839	-0.5839	15	0	0	160	0	6	10
I-L	0.0	0.0	-0.0475	-0.0475	4	0	0	26	0	0	0
L-M	-31.6686	-29.3689	-140.823	-201.8605	74	28	0	6418	2	20	15

Interface residues

• B-D: ARG582B, ARG582D, ARG646B, ARG665B, ARG667B, ARG667D, ASN602D, ASN636D, ASN657B, ASN662D, ASP584D, ASP586B, ASP586D, ASP617B, GLN583B, GLN583D, GLN601D, GLN619B, GLN620B, GLN634D, GLN669B, GLN669D, GLN671B, GLN671D, GLU576D, GLU581B, GLU581D, GLU613B, GLY600D, GLY618B, HIS672B, HIS672D, ILE597D, ILE621B, ILE661D, LEU577B, LEU577D, LEU598D, LEU638D, LYS614B, LYS655B, LYS666D, MET579B, MET579D, MET637D, PHE603D, PHE639D, PHE658B, PHE658D, PHE673B, PRO578B, PRO578D, PRO635D, PRO670B, PRO670D, SER668B, SER668D, THR585D, THR599D, THR612B, THR615B, THR616B, TYR645B, TYR659B, TYR659D, VAL580B, VAL580D, VAL654B, VAL656B, VAL660B, VAL660D
• B-I: ALA435B, ASN507B, ASP629I, ASP631I, GLU504B, GLU606B, GLU606I, GLY438B, GLY438I, GLY439B, GLY481B, GLY663I, HIS440B, LYS417B, LYS417I, LYS434B, LYS434I, LYS482B, LYS482I, LYS506B, LYS608I, LYS630I, LYS632I, LYS664B, PRO453B, PRO502B, PRO505B, SER488B, SER605I, THR437B, THR480B, THR483B, THR483I, THR485B, THR486B, THR487B, TYR489B, VAL484B, VAL484I
• D-H: LYS530H, THR533D
• H-I: ARG582H, ARG582I, ARG646I, ARG665I, ARG667H, ARG667I, ASN602H, ASN636H, ASN657I, ASN662H, ASP584H, ASP586H, ASP586I, ASP617I, GLN583H, GLN583I, GLN601H, GLN619I, GLN620I, GLN634H, GLN669H, GLN669I, GLN671H, GLN671I, GLU576H, GLU581H, GLU581I, GLU613I, GLY600H, GLY618I, HIS672H, HIS672I, ILE597H, ILE621I, LEU577H, LEU577I, LEU598H, LEU638H, LYS538H, LYS614I, LYS655I, LYS664I, LYS666H, MET579H, MET579I, MET637H, PHE603H, PHE639H, PHE658H, PHE658I, PHE673I, PRO578H, PRO635H, PRO670H, PRO670I, SER668H, SER668I, THR585H, THR599H, THR612I, THR615I, THR616I, TRP622I, TYR645I, TYR659H, TYR659I, VAL580H, VAL580I, VAL654I, VAL656I, VAL660H, VAL660I
• H-M: GLU606M, GLY438H, GLY438M, LYS417H, LYS417M, LYS434H, LYS434M, LYS482H, LYS632M, SER488H, THR480H, THR483H, THR483M, VAL484H, VAL484M
• I-L: LYS530I, LYS530L, THR533I, THR533L
• L-M: ARG537L, ARG582L, ARG582M, ARG665M, ARG667L, ARG667M, ASN602L, ASN636L, ASN657M, ASN662L, ASP584L, ASP586L, ASP617M, GLN583L, GLN583M, GLN601L, GLN619M, GLN620M, GLN634L, GLN669L, GLN669M, GLN671L, GLN671M, GLU568L, GLU576L, GLU581L, GLU581M, GLU613M, GLY600L, GLY618M, HIS419L, HIS672L, HIS672M, ILE597L, ILE621M, LEU577L, LEU577M, LEU598L, LEU638L, LYS538L, LYS614M, LYS655M, LYS664M, LYS666L, LYS666M, MET579L, MET579M, MET637L, PHE603L, PHE639L, PHE658M, PHE673M, PRO578L, PRO578M, PRO635L, PRO670L, PRO670M, SER570L, SER668L, SER668M, THR540L, THR585L, THR599L, THR612M, THR615M, THR616M, TYR659L, TYR659M, VAL580L, VAL580M, VAL654M, VAL656M, VAL660L, VAL660M