1PP0

volvatoxin a2 in monoclinic crystal

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -4.0068
• 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	-100.1407	13.6103	-194.704	-281.2344	73	15	2	6831	0	28	17
A-C	0.0	0.0	-0.0017	-0.0017	3	0	0	5	0	2	3
A-D	-8.3272	10.4784	-60.7991	-58.6479	48	1	4	2812	0	9	9
B-C	-8.4578	16.0833	-62.2493	-54.6238	56	7	2	3276	1	26	22
C-D	-102.1737	13.7361	-196.044	-284.4817	71	11	2	6850	0	29	17

Interface residues

• A-B: ALA1089B, ALA1091B, ALA1181B, ALA1186B, ALA181A, ALA186A, ALA89A, ALA91A, ASN1052B, ASN1069B, ASN52A, ASN69A, ASP1051B, ASP1061B, ASP1064B, ASP1088B, ASP1185B, ASP185A, ASP51A, ASP61A, ASP64A, ASP88A, GLN1065B, GLN1070B, GLN1071B, GLN1183B, GLN183A, GLN65A, GLN70A, GLN71A, GLU1188B, GLU188A, HIS1087B, HIS87A, ILE1050B, ILE1068B, ILE1184B, ILE184A, ILE50A, ILE68A, LEU1086B, LEU1187B, LEU1189B, LEU187A, LEU86A, LYS1047B, LYS1062B, LYS1081B, LYS1084B, LYS1127B, LYS127A, LYS47A, LYS62A, LYS81A, LYS84A, PHE1060B, PHE1085B, PHE1090B, PHE60A, PHE85A, PHE90A, SER1059B, SER1066B, SER59A, SER66A, THR1067B, THR67A, TRP1043B, TYR1053B, TYR1063B, TYR63A, VAL1182B, VAL182A
• A-C: ALA91A, HIS87A, LYS2084C
• A-D: ALA100A, ALA101A, ALA3091D, ALA3092D, ALA3100D, ALA3101D, ALA3146D, ALA91A, ALA92A, ASP3080D, ASP3088D, ASP3095D, ASP88A, ASP95A, GLN12A, GLN3012D, HIS3087D, HIS87A, LEU13A, LEU3096D, LEU3099D, LEU96A, LEU99A, LYS3098D, LYS98A, PHE142A, PHE3090D, PHE3142D, PHE90A, PRO141A, PRO147A, PRO14A, PRO3141D, PRO3147D, SER139A, SER174A, SER175A, SER3097D, SER3174D, SER97A, TYR151A, TYR3151D, VAL140A, VAL3093D, VAL3094D, VAL3140D, VAL93A, VAL94A
• B-C: ALA1077B, ALA1083B, ALA1091B, ALA1100B, ALA1101B, ALA2077C, ALA2083C, ALA2100C, ALA2101C, ASN1105B, ASN2105C, ASN2145C, ASP1080B, ASP1088B, ASP1095B, ASP2080C, ASP2088C, ASP2095C, GLN2012C, GLU1074B, GLU2074C, GLY1076B, GLY2076C, HIS1087B, HIS2087C, ILE1102B, ILE2102C, ILE2103C, LEU1096B, LEU1099B, LEU1104B, LEU2096C, LEU2099C, LEU2104C, LYS1081B, LYS1084B, LYS1098B, LYS1177B, LYS2081C, LYS2084C, LYS2098C, PHE1085B, SER1097B, SER1174B, SER1175B, SER2097C, SER2174C, SER2175C, THR1108B, THR1173B, THR2108C, THR2173C, VAL1075B, VAL1079B, VAL1094B, VAL2079C
• C-D: ALA2089C, ALA2091C, ALA2181C, ALA2186C, ALA3089D, ALA3091D, ALA3181D, ALA3186D, ASN2052C, ASN2069C, ASN3069D, ASP2051C, ASP2061C, ASP2064C, ASP2088C, ASP2185C, ASP3051D, ASP3061D, ASP3064D, ASP3088D, ASP3185D, GLN2065C, GLN2070C, GLN2071C, GLN2183C, GLN3065D, GLN3070D, GLN3071D, GLN3183D, GLU2188C, GLU3188D, HIS2087C, HIS3087D, ILE2050C, ILE2068C, ILE2184C, ILE3050D, ILE3068D, ILE3184D, LEU2086C, LEU2187C, LEU2189C, LEU3058D, LEU3086D, LEU3187D, LYS2047C, LYS2062C, LYS2081C, LYS2084C, LYS2127C, LYS3047D, LYS3062D, LYS3081D, LYS3084D, LYS3127D, PHE2060C, PHE2085C, PHE2090C, PHE3060D, PHE3085D, PHE3090D, SER2059C, SER2066C, SER3059D, SER3066D, THR2067C, THR3067D, TYR2063C, TYR3063D, VAL2182C, VAL3182D