2RA6

crystal structure of the possum milk whey lipocalin trichosurin at ph 4.6 with bound 4-ethylphenol

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -3.3515
• 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	-40.4807	-18.8647	-255.699	-315.0444	94	13	5	9159	5	44	37
A-C	0.0	2.0282	-7.9841	-5.9559	17	2	0	385	0	12	14
A-D	-10.114	-17.8545	-49.0465	-77.015	39	5	0	1849	5	29	38
B-C	-7.6787	19.2476	-45.2799	-33.711	37	1	0	1751	4	29	39
B-D	0.0	0.0	-0.0234	-0.0234	4	0	0	7	0	4	4
C-D	-32.4531	-10.819	-261.265	-304.5371	98	18	5	9303	6	44	37

Interface residues

• A-B: ALA86A, ALA86B, ARG142A, ARG142B, ARG150A, ARG150B, ARG153A, ARG153B, ARG87A, ARG87B, ASN116A, ASN116B, ASN123A, ASN123B, ASN149A, ASN149B, ASN156A, ASN156B, ASN97A, ASN97B, ASP119A, ASP119B, ASP146A, ASP146B, ASP37A, ASP37B, ASP98A, ASP98B, GLN88A, GLN88B, GLU102A, GLU102B, GLU145B, GLU84A, GLU84B, GLU85A, GLU85B, GLY120A, GLY120B, GLY151A, GLY151B, GLY95A, GLY95B, HIS118A, HIS118B, ILE113A, ILE113B, LEU91A, LEU91B, LYS111A, LYS111B, LYS121A, LYS121B, LYS90A, LYS90B, MET148A, MET148B, PHE114A, PHE114B, PHE147A, PHE147B, PHE152A, PHE152B, PHE89A, PHE89B, SER103A, SER103B, SER104A, SER104B, SER35A, SER35B, SER36A, SER36B, THR83A, THR83B, THR96A, THR96B, TYR100A, TYR100B, TYR101A, TYR101B, TYR109A, TYR115A, TYR115B, TYR117A, TYR117B, VAL122A, VAL122B, VAL124A, VAL124B, VAL125A, VAL125B, VAL99A, VAL99B
• A-C: ARG153A, ARG153C, ASN123C, ASP119A, ASP119C, ASP37A, ASP37C, GLY120A, GLY120C, HIS118A, HIS118C, LYS121A, LYS121C, SER39A, SER39C, TYR94A, TYR94C
• A-D: ARG153A, ARG153D, ARG154D, ARG38A, ARG38D, ARG68A, ASN123D, ASN156A, ASN156D, ASN70A, ASP119D, ASP37A, ASP37D, GLU155A, GLU155D, GLU42A, GLU42D, GLU43A, GLU44A, GLY120D, GLY45A, GLY71A, HIS118D, ILE157D, LEU158A, LEU158D, LEU40A, LEU40D, LYS121A, LYS121D, LYS69A, PRO46A, PRO46D, SER36A, SER36D, SER39A, SER39D, TYR94A, TYR94D
• B-C: ARG153B, ARG153C, ARG38B, ARG38C, ARG48C, ARG68C, ASN123B, ASN156B, ASN156C, ASN70C, ASP119B, ASP37B, ASP37C, GLU155B, GLU155C, GLU42B, GLU42C, GLU43C, GLU44C, GLY120B, GLY45C, GLY71C, HIS118B, LEU158B, LEU158C, LEU40B, LEU40C, LYS121B, LYS121C, LYS69C, PRO46B, PRO46C, SER36B, SER36C, SER39B, SER39C, TYR94B
• B-D: ASP119B, ASP119D, GLY120B, GLY120D
• C-D: ALA126C, ALA126D, ALA86C, ALA86D, ARG142C, ARG142D, ARG150C, ARG150D, ARG153C, ARG153D, ARG87C, ARG87D, ASN116C, ASN116D, ASN123C, ASN123D, ASN149C, ASN149D, ASN156C, ASN156D, ASN92C, ASN97C, ASN97D, ASP119C, ASP119D, ASP146C, ASP146D, ASP37C, ASP37D, ASP98C, ASP98D, GLN88C, GLN88D, GLU102C, GLU102D, GLU145D, GLU84C, GLU84D, GLU85C, GLU85D, GLY120C, GLY120D, GLY151C, GLY151D, GLY95C, GLY95D, HIS118C, HIS118D, ILE113C, ILE113D, LEU91C, LEU91D, LYS111C, LYS111D, LYS121C, LYS121D, LYS90C, LYS90D, MET148C, MET148D, PHE114C, PHE114D, PHE147C, PHE147D, PHE152C, PHE152D, PHE89C, PHE89D, SER103C, SER103D, SER104C, SER104D, SER35C, SER35D, SER36C, SER36D, THR83C, THR83D, THR96C, THR96D, TYR100C, TYR100D, TYR101C, TYR101D, TYR109C, TYR109D, TYR115C, TYR115D, TYR117C, TYR117D, VAL122C, VAL122D, VAL124C, VAL124D, VAL125C, VAL125D, VAL99C, VAL99D