3N1T

crystal structure of the h101a mutant echint gmp complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 145
  • Norm. En. per Res.: -6.4939
• Hub Node: A(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
A-B	-193.746	-86.9412	-660.549	-941.2361	147	42	25	24223	6	28	46
A-E	0.0	9.9448	-0.7014	9.2434	9	0	0	103	0	7	7
B-E	-43.8516	-56.2287	-99.0035	-199.0838	50	4	1	3396	8	24	24
B-F	0.0	9.9519	-0.6829	9.269	8	0	0	116	0	7	7
E-F	-194.1816	-117.4575	-629.972	-941.6111	145	29	22	23508	7	28	39

Interface residues

• A-B: ALA101A, ALA115A, ALA115B, ALA36A, ALA36B, ALA56A, ALA56B, ALA61A, ALA61B, ALA69A, ALA69B, ALA70A, ALA70B, ALA73A, ALA73B, ALA79A, ALA79B, ARG108A, ARG108B, ARG64A, ARG64B, ARG84A, ARG84B, ARG91A, ARG91B, ASN52A, ASN52B, ASN88A, ASN88B, ASN90A, ASN90B, ASP23A, ASP23B, ASP31A, ASP31B, ASP53A, ASP53B, ASP81A, ASP81B, GLN35A, GLN35B, GLN60A, GLN60B, GLN95A, GLN95B, GLU57A, GLU57B, GLU59A, GLU59B, GLU74A, GLU74B, GLU80A, GLU80B, GLY106A, GLY106B, GLY107A, GLY107B, GLY111A, GLY111B, GLY118B, GLY63A, GLY63B, GLY82A, GLY82B, GLY93A, GLY93B, GLY94A, GLY94B, HIS103A, HIS103B, HIS116A, HIS116B, HIS39A, HIS39B, HIS58A, HIS58B, HIS92A, HIS92B, ILE100A, ILE100B, ILE48A, ILE48B, ILE66A, ILE66B, ILE72A, ILE78A, ILE78B, ILE86A, ILE86B, LEU104A, LEU104B, LEU105A, LEU105B, LEU110A, LEU110B, LEU114A, LEU114B, LEU25A, LEU25B, LEU41A, LEU41B, LEU62A, LEU62B, LEU85A, LEU85B, LYS117B, LYS71A, LYS71B, MET102A, MET102B, MET113A, MET113B, MET65A, MET65B, MET87A, MET87B, PRO109A, PRO109B, PRO112A, PRO112B, PRO34A, PRO34B, PRO37A, PRO37B, SER33A, SER33B, SER55A, SER55B, THR38A, THR38B, THR50A, THR50B, THR67A, THR67B, THR89A, THR89B, TYR21A, TYR83A, TYR83B, TYR98A, TYR98B, VAL51A, VAL51B, VAL54A, VAL54B, VAL68A, VAL68B
• A-E: ALA56A, ARG12E, ARG13E, ARG64A, ASP24E, GLN60A, GLU14E, GLU57A, GLU59A
• B-E: ALA56B, ALA56E, ALA61B, ALA61E, ARG12B, ARG12E, ARG13E, ARG64B, ARG64E, ASN45B, ASN45E, ASP23B, ASP23E, ASP24B, ASP24E, GLN22B, GLN22E, GLN60B, GLN60E, GLU14B, GLU4B, GLU4E, GLU57B, GLU57E, GLU59B, GLU59E, HIS58B, HIS58E, HIS99B, HIS99E, ILE11B, ILE11E, ILE46B, ILE46E, ILE48B, ILE48E, LEU25B, LEU25E, LEU47B, LEU47E, LYS9B, SER55B, SER55E, SER8B, SER8E, THR27B, TYR21B, TYR21E, VAL26B, VAL26E
• B-F: ARG12B, ARG13B, ARG64F, ASP24B, GLN60F, GLU14B, GLU59F, ILE11B
• E-F: ALA101F, ALA115E, ALA115F, ALA36E, ALA36F, ALA56E, ALA56F, ALA61E, ALA61F, ALA69E, ALA69F, ALA70E, ALA70F, ALA73E, ALA73F, ALA79E, ALA79F, ARG108E, ARG108F, ARG64E, ARG64F, ARG84E, ARG84F, ARG91E, ARG91F, ASN52E, ASN52F, ASN88E, ASN88F, ASN90E, ASN90F, ASP23E, ASP23F, ASP31E, ASP31F, ASP53E, ASP53F, ASP81E, ASP81F, GLN35E, GLN35F, GLN60E, GLN60F, GLN75F, GLN95E, GLN95F, GLU57E, GLU57F, GLU59E, GLU59F, GLU74E, GLU74F, GLU80E, GLU80F, GLU96E, GLY106E, GLY106F, GLY107E, GLY107F, GLY111E, GLY111F, GLY63E, GLY63F, GLY82E, GLY82F, GLY93E, GLY93F, GLY94E, GLY94F, HIS103E, HIS103F, HIS116F, HIS39E, HIS39F, HIS58E, HIS58F, HIS92E, HIS92F, ILE100E, ILE100F, ILE48E, ILE48F, ILE66E, ILE66F, ILE78E, ILE78F, ILE86E, ILE86F, LEU104E, LEU104F, LEU105E, LEU105F, LEU110E, LEU110F, LEU114E, LEU114F, LEU25E, LEU25F, LEU41E, LEU41F, LEU62E, LEU62F, LEU85E, LEU85F, LYS117F, LYS71E, LYS71F, MET102E, MET102F, MET113E, MET113F, MET65E, MET65F, MET87E, MET87F, PRO109E, PRO109F, PRO112E, PRO112F, PRO34E, PRO34F, PRO37E, PRO37F, SER33E, SER33F, SER55E, SER55F, THR38E, THR38F, THR50E, THR50F, THR67E, THR67F, THR89E, THR89F, TYR21E, TYR83E, TYR83F, TYR98F, VAL51E, VAL51F, VAL54E, VAL54F, VAL68E, VAL68F