3NDU

hiv-1 protease saquinavir:ritonavir 1:5 complex structure

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 110
  • Norm. En. per Res.: -6.2256
• 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	-157.716	31.753	-530.926	-656.889	111	32	22	19793	0	13	9
A-C	-5.3199	-14.8407	-33.1521	-53.3127	19	1	0	1353	1	5	2
A-D	0.0	0.0	-0.0105	-0.0105	3	0	0	11	0	0	0
B-C	0.0	0.0	-12.2479	-12.2479	8	0	0	391	0	0	0
B-D	-2.7766	-1.4162	-86.7984	-90.9911	35	6	0	2953	0	4	10
C-D	-154.2349	-14.7795	-515.806	-684.8205	110	30	19	18881	4	12	9

Interface residues

• A-B: ALA29A, ALA29B, ALA68A, ALA68B, ALA96A, ALA96B, ARG88A, ARG88B, ARG9A, ARG9B, ASN84A, ASN89A, ASN89B, ASN99A, ASN99B, ASP26A, ASP26B, ASP30A, ASP30B, ASP31A, ASP31B, GLN3A, GLN3B, GLN93A, GLN93B, GLY28A, GLY28B, GLY49A, GLY49B, GLY50A, GLY50B, GLY52A, GLY52B, GLY53A, GLY53B, GLY69A, GLY79A, GLY87A, GLY87B, GLY95A, GLY95B, HIS70A, HIS70B, ILE48A, ILE48B, ILE4A, ILE4B, ILE51A, ILE51B, ILE55A, ILE55B, ILE67A, ILE67B, ILE85A, ILE85B, ILE86A, ILE86B, ILE94A, ILE94B, LEU11A, LEU11B, LEU24A, LEU24B, LEU25A, LEU25B, LEU6A, LEU6B, LEU77A, LEU90A, LEU90B, LEU91A, LEU91B, LEU98A, LEU98B, LYS56A, LYS56B, LYS8A, LYS8B, PHE100A, PHE100B, PHE54A, PHE54B, PRO10A, PRO10B, PRO2A, PRO2B, PRO80A, PRO80B, PRO82A, PRO82B, THR13A, THR27A, THR27B, THR5A, THR5B, THR81A, THR81B, THR92A, THR92B, THR97A, THR97B, TRP7A, TRP7B, VAL12A, VAL12B, VAL33A, VAL33B, VAL57A, VAL57B, VAL83A, VAL83B
• A-C: ASN84A, GLN2C, GLU35A, GLU36A, GLY52A, GLY79A, ILE34A, ILE3C, ILE51A, ILE55A, LEU5C, LYS21A, LYS7C, PRO80A, PRO82A, THR4C, THR81A, TRP6C, VAL83A
• A-D: ARG87D, PRO82A, THR91D
• B-C: GLY49B, GLY50B, GLY52B, GLY53B, ILE48B, ILE51B, PHE54B, TRP6C
• B-D: ALA71D, ARG41D, ARG58B, ARG87D, ASN88D, ASP60D, GLN59B, GLN61D, GLN92D, GLY49B, GLY53B, GLY73D, GLY94D, HIS69D, ILE48B, ILE55B, ILE62D, ILE63D, ILE64D, ILE72D, ILE93D, LEU77B, LEU89D, LEU90D, LYS44B, LYS46B, LYS56B, LYS70D, MET47B, PHE54B, PRO45B, THR75B, THR91D, TRP43B, VAL57B
• C-D: ALA28C, ALA28D, ALA67C, ALA67D, ALA95C, ALA95D, ARG87C, ARG87D, ARG8C, ARG8D, ASN88C, ASN88D, ASN98C, ASN98D, ASP25C, ASP25D, ASP29C, ASP29D, ASP30C, ASP30D, GLN2C, GLN2D, GLN92C, GLN92D, GLY27C, GLY27D, GLY48C, GLY48D, GLY49C, GLY49D, GLY51C, GLY51D, GLY52C, GLY52D, GLY68C, GLY68D, GLY86C, GLY86D, GLY94C, GLY94D, HIS69C, HIS69D, ILE13D, ILE3C, ILE3D, ILE47C, ILE47D, ILE50C, ILE50D, ILE54C, ILE54D, ILE66C, ILE66D, ILE84C, ILE84D, ILE85C, ILE85D, ILE93C, ILE93D, LEU10C, LEU10D, LEU23C, LEU23D, LEU24C, LEU24D, LEU5C, LEU5D, LEU89C, LEU89D, LEU90C, LEU90D, LEU97C, LEU97D, LYS55C, LYS55D, LYS7C, LYS7D, PHE53C, PHE53D, PHE99C, PHE99D, PRO1C, PRO1D, PRO79C, PRO79D, PRO81C, PRO81D, PRO9C, PRO9D, THR12C, THR26C, THR26D, THR4C, THR4D, THR80C, THR80D, THR91C, THR91D, THR96C, THR96D, TRP6C, TRP6D, VAL11C, VAL11D, VAL32C, VAL32D, VAL56C, VAL56D, VAL82C, VAL82D