2NY3

hiv-1 gp120 envelope glycoprotein (k231c, t257s, e267c, s334a, s375w) complexed with cd4 and antibody 17b

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 50
  • Norm. En. per Res.: -4.1768
• 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	-111.9489	-36.9503	-292.331	-441.2303	113	12	1	11055	5	29	25
A-C	0.0	0.0	-36.0705	-36.0705	15	0	0	1265	0	1	0
A-D	-49.7885	-76.5344	-82.5185	-208.8414	50	10	6	5211	3	17	8
C-D	-28.4537	-21.8302	-457.296	-507.58	186	4	14	17795	2	19	18

Interface residues

• A-B: ALA1055B, ALA129A, ALA281A, ARG1058B, ARG1059B, ARG456A, ARG469A, ARG476A, ARG480A, ASN1030B, ASN1032B, ASN1039B, ASN1052B, ASN1066B, ASN197A, ASN276A, ASN280A, ASN425A, ASN460A, ASP1053B, ASP1056B, ASP1063B, ASP1088B, ASP279A, ASP368A, ASP457A, ASP474A, ASP477A, CYS126A, CYS196A, GLN1025B, GLN1033B, GLN1040B, GLN1064B, GLN363A, GLN428A, GLU1085B, GLU1087B, GLU370A, GLY1038B, GLY1041B, GLY1047B, GLY128A, GLY366A, GLY367A, GLY431A, GLY458A, GLY459A, GLY471A, GLY472A, GLY473A, HIS1027B, HIS105A, ILE1024B, ILE1034B, ILE1036B, ILE284A, ILE371A, ILE424A, ILE467A, LEU1037B, LEU1044B, LEU1061B, LEU125A, LEU453A, LEU454A, LYS1021B, LYS1022B, LYS1029B, LYS1035B, LYS1046B, LYS1090B, LYS282A, LYS362A, LYS429A, LYS432A, LYS97A, MET426A, MET475A, PHE1026B, PHE1043B, PHE1067B, PHE468A, PRO1048B, PRO124A, PRO369A, PRO470A, SER1023B, SER1031B, SER1042B, SER1049B, SER1060B, SER256A, SER257A, SER364A, SER365A, SER461A, THR1045B, THR123A, THR198A, THR278A, THR283A, THR455A, TRP1028B, TRP1062B, TRP375A, TRP427A, TYR384A, VAL1086B, VAL127A, VAL255A, VAL372A, VAL430A
• A-C: ALA204A, ALA436A, CYS119A, CYS205A, GLN203A, ILE201A, LYS121A, MET434A, PRO118A, PRO206A, PRO2095C, PRO2096C, THR202A, TRP2094C, VAL120A
• A-D: ALA3058D, ALA3104D, ALA433A, ALA436A, ARG3031D, ARG3050D, ARG419A, ASN3111D, ASN3112D, ASN425A, ASP3056D, ASP3105D, ASP3110D, CYS119A, GLN203A, GLN422A, GLU3101D, GLU3103D, GLU3106D, GLU3108D, GLU370A, GLY3102D, GLY3107D, HIS3059D, ILE201A, ILE3030D, ILE3052D, ILE3054D, ILE420A, ILE423A, ILE424A, LEU122A, LEU3055D, LYS121A, LYS421A, LYS432A, MET434A, PRO369A, PRO437A, PRO438A, SER199A, THR198A, THR202A, TYR3100D, TYR3109D, TYR384A, TYR435A, VAL120A, VAL200A, VAL3057D
• C-D: ALA2034C, ALA2043C, ALA2051C, ALA2055C, ALA2132C, ALA3058D, ALA3061D, ALA3097D, ALA3140D, ALA3151D, ALA3152D, ALA3183D, ARG2045C, ARG2054C, ARG2097C, ARG2144C, ARG3038D, ARG3050D, ASN2092C, ASN2093C, ASN2139C, ASN2140C, ASN3111D, ASN3112D, ASP2001C, ASP2032C, ASP2124C, ASP2169C, ASP2172C, ASP3159D, CYS2088C, CYS2136C, CYS3096D, CYS3155D, GLN2037C, GLN2038C, GLN2042C, GLN2089C, GLN2090C, GLN2102C, GLN2126C, GLN2162C, GLN2168C, GLN3039D, GLN3043D, GLN3065D, GLN3120D, GLN3186D, GLU2125C, GLU2163C, GLU2167C, GLU3001D, GLU3006D, GLU3046D, GLY2041C, GLY2050C, GLY2057C, GLY2101C, GLY2103C, GLY3042D, GLY3044D, GLY3049D, GLY3098D, GLY3113D, GLY3119D, GLY3121D, GLY3148D, GLY3149D, GLY3154D, GLY3177D, HIS3059D, HIS3063D, HIS3117D, HIS3179D, ILE2002C, ILE2048C, ILE2119C, ILE3052D, LEU2033C, LEU2046C, LEU2047C, LEU2127C, LEU2137C, LEU2138C, LEU2177C, LEU2181C, LEU2183C, LEU3045D, LEU3055D, LEU3115D, LEU3139D, LEU3153D, LEU3156D, LEU3185D, LEU3190D, LEU3193D, LYS2039C, LYS2128C, LYS2171C, LYS3116D, LYS3158D, LYS3224D, LYS3229D, MET3048D, PHE2100C, PHE2118C, PHE2120C, PHE2141C, PHE3095D, PHE3114D, PHE3137D, PHE3181D, PRO2040C, PRO2044C, PRO2095C, PRO2096C, PRO2121C, PRO2122C, PRO3062D, PRO3138D, PRO3141D, PRO3182D, SER2116C, SER2123C, SER2129C, SER2133C, SER2161C, SER2164C, SER2170C, SER2176C, SER2178C, SER2179C, SER3033D, SER3135D, SER3176D, SER3187D, SER3188D, SER3192D, SER3194D, SER3195D, SER3201D, THR2053C, THR2056C, THR2099C, THR2131C, THR2166C, THR2174C, THR2180C, THR2182C, THR3035D, THR3150D, THR3180D, THR3198D, TRP2035C, TRP2094C, TRP3036D, TRP3047D, TRP3118D, TYR2036C, TYR2049C, TYR2086C, TYR2087C, TYR2091C, TYR2098C, TYR2175C, TYR3060D, TYR3109D, TYR3191D, VAL2058C, VAL2085C, VAL2117C, VAL2134C, VAL2135C, VAL2165C, VAL3037D, VAL3057D, VAL3093D, VAL3099D, VAL3136D, VAL3157D, VAL3178D, VAL3184D, VAL3196D, VAL3197D, VAL3199D, VAL3226D