1PO2

poliovirus (type 1, mahoney) in complex with r77975, an inhibitor of viral replication

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: 1-3
  • Int. Res.: 304
  • Norm. En. per Res.: -4.9649
• Hub Node: 1(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
0-1	0.0	0.0	-0.0057	-0.0057	2	0	0	5	0	0	0
0-4	-36.3249	0.0	-53.6077	-89.9326	19	3	0	1655	0	0	0
1-2	-174.6351	-71.0276	-729.059	-974.7217	198	35	16	26023	6	26	20
1-3	-246.4521	-107.473	-1155.39	-1509.3151	304	53	27	43069	11	59	50
1-4	-88.9748	-8.1603	-279.708	-376.843	111	12	6	11273	2	23	23
2-3	-79.916	-32.7323	-459.739	-572.3873	157	18	7	17294	4	18	10
2-4	-44.613	25.6712	-123.081	-142.0228	51	6	3	4959	0	5	9
3-4	-71.6556	-2.6315	-215.048	-289.3351	75	10	3	7387	0	13	16

Interface residues

• 0-1: ARG241, THR100
• 0-4: ALA34, ASN264, GLN44, GLN444, GLY24, GLY60, ILE304, SER424, SER64, SER70, SER74, SER80, SER90, THR100, THR244, THR284, THR294, TYR274, VAL54
• 1-2: ALA1212, ALA1332, ALA1482, ALA1902, ALA2041, ALA2062, ALA2221, ALA2231, ALA2311, ALA2321, ALA2761, ALA2781, ALA282, ALA292, ALA342, ALA461, ALA472, ALA511, ARG1191, ARG1201, ARG122, ARG1291, ARG1722, ARG2012, ARG2642, ARG2702, ARG2721, ARG2751, ARG372, ASN1372, ASN1472, ASN1492, ASN1832, ASN1892, ASN1992, ASN2031, ASN2032, ASN2142, ASN2252, ASN2262, ASN2652, ASN302, ASN482, ASP112, ASP1352, ASP1782, ASP2101, ASP2191, ASP2192, ASP2261, ASP2851, ASP2881, ASP842, CYS1312, CYS1752, CYS2052, CYS2701, GLN1462, GLN1962, GLN2201, GLN2722, GLU1231, GLU1292, GLU462, GLU481, GLY1232, GLY1342, GLY1592, GLY1822, GLY1842, GLY1882, GLY2001, GLY2111, GLY2251, GLY2282, GLY2301, GLY2811, GLY2831, GLY2891, GLY501, HIS1422, HIS1952, HIS2071, HIS2242, ILE1972, ILE1982, ILE2011, ILE2182, ILE2662, LEU1222, LEU1322, LEU1802, LEU1812, LEU1862, LEU1872, LEU2002, LEU2082, LEU2162, LEU2171, LEU2241, LEU2281, LEU2342, LEU2682, LEU2712, LEU2911, LEU2941, LEU822, LYS1131, LYS2141, LYS2181, LYS2232, LYS2871, LYS812, MET1302, MET1412, MET2212, PHE1241, PHE1251, PHE1572, PHE1612, PHE1742, PHE1912, PHE1932, PHE2081, PHE2121, PRO1282, PRO1632, PRO1762, PRO1942, PRO2112, PRO2161, PRO2692, PRO2711, PRO2731, PRO2741, PRO2821, PRO2931, PRO832, SER1281, SER1362, SER1442, SER2021, SER2061, SER2131, SER2152, SER2172, SER2202, SER2211, SER2271, SER312, SER452, THR1261, THR1382, THR1392, THR1402, THR1432, THR1582, THR1602, THR1622, THR1852, THR2022, THR2072, THR2672, THR2901, THR2921, THR451, THR491, THR521, TRP2272, TRP2691, TRP792, TRP802, TYR1002, TYR1271, TYR1452, TYR1792, TYR1981, TYR2051, TYR2091, TYR2122, TYR2291, TYR2791, TYR2801, TYR2861, TYR352, TYR972, VAL1242, VAL1272, VAL1772, VAL1922, VAL2132, VAL2151, VAL2222, VAL2771, VAL2841, VAL322, VAL332, VAL471
• 1-3: ALA1113, ALA1353, ALA1483, ALA163, ALA1901, ALA1921, ALA2041, ALA2163, ALA2353, ALA243, ALA261, ALA2761, ALA2781, ALA431, ALA461, ALA473, ALA511, ALA593, ALA821, ALA851, ARG1191, ARG1201, ARG1291, ARG1773, ARG1931, ARG2233, ARG2263, ARG241, ARG2581, ARG2671, ARG2721, ARG2751, ARG693, ARG701, ARG713, ARG721, ARG831, ARG943, ASN1053, ASN113, ASN1801, ASN183, ASN2031, ASN2183, ASN291, ASN423, ASN531, ASN633, ASP1141, ASP1311, ASP1403, ASP1573, ASP173, ASP1813, ASP2193, ASP2273, ASP293, ASP2981, ASP353, ASP503, ASP563, ASP591, ASP803, ASP923, CYS1213, CYS1643, CYS2173, CYS233, CYS2701, CYS843, CYS861, GLN1171, GLN123, GLN1613, GLN203, GLN2333, GLN621, GLN681, GLU1023, GLU1231, GLU1331, GLU1473, GLU2323, GLU273, GLU393, GLU453, GLU481, GLU483, GLU663, GLU741, GLU781, GLY1013, GLY1123, GLY1513, GLY1593, GLY1881, GLY1883, GLY2001, GLY2123, GLY383, GLY501, GLY841, HIS1093, HIS1533, HIS2303, HIS2651, HIS691, HIS973, ILE1033, ILE1553, ILE1583, ILE1713, ILE1831, ILE1903, ILE1941, ILE2011, ILE2103, ILE2313, ILE2661, ILE343, ILE363, ILE411, ILE493, ILE533, ILE771, ILE823, LEU1003, LEU1043, LEU1143, LEU1181, LEU1193, LEU1221, LEU1341, LEU143, LEU1603, LEU2113, LEU2243, LEU2253, LEU253, LEU2611, LEU271, LEU2911, LEU2941, LEU2991, LEU441, LEU463, LEU551, LEU573, LEU723, LEU833, LEU853, LEU873, LEU953, LYS1131, LYS1153, LYS1211, LYS1433, LYS1443, LYS2343, LYS2621, LYS2641, LYS2971, LYS413, LYS613, LYS623, MET1321, MET1663, MET433, MET443, MET673, MET993, PHE1163, PHE1183, PHE1203, PHE1241, PHE1251, PHE1361, PHE193, PHE1933, PHE2133, PHE2203, PHE283, PHE553, PHE801, PHE811, PRO1413, PRO1423, PRO1611, PRO1693, PRO1811, PRO1911, PRO1971, PRO223, PRO263, PRO2711, PRO2731, PRO2741, PRO281, PRO2931, PRO323, PRO333, PRO373, PRO421, PRO541, PRO543, PRO571, PRO813, PRO933, SER103, SER1133, SER1281, SER1333, SER1623, SER1633, SER1791, SER1821, SER1913, SER1951, SER2021, SER2061, SER213, SER2153, SER2213, SER231, SER2951, SER581, SER583, SER711, SER731, SER751, SER761, SER791, SER863, SER883, SER913, SER963, THR1083, THR1151, THR1173, THR1261, THR1351, THR1523, THR153, THR1653, THR1743, THR1753, THR1891, THR221, THR2283, THR2293, THR2921, THR2961, THR3001, THR301, THR3011, THR313, THR451, THR491, THR513, THR521, THR601, THR603, THR631, THR643, THR983, TRP1103, TRP1563, TRP1703, TRP2691, TYR1063, TYR1073, TYR1271, TYR133, TYR1343, TYR1591, TYR1763, TYR1893, TYR1981, TYR2051, TYR2601, TYR2791, TYR3021, TYR683, VAL1161, VAL1371, VAL1543, VAL1673, VAL1683, VAL1923, VAL1961, VAL1991, VAL2143, VAL2223, VAL2591, VAL2681, VAL2771, VAL303, VAL403, VAL471, VAL561, VAL611, VAL661, VAL703, VAL871
• 1-4: ALA201, ALA211, ALA261, ALA374, ALA404, ALA414, ALA431, ALA461, ALA511, ALA654, ALA821, ARG1931, ARG241, ARG701, ARG721, ARG831, ASN264, ASN314, ASN394, ASN531, ASN694, ASP1311, ASP251, ASP354, ASP454, ASP494, ASP591, ASP594, CYS2701, GLN444, GLN484, GLN84, GLU1331, GLU401, GLU481, GLU554, GLU741, GLU781, GLY501, HIS2651, HIS691, ILE1941, ILE254, ILE2661, ILE411, ILE574, ILE624, ILE771, LEU271, LEU441, LEU551, LEU614, LEU684, LYS2621, LYS2641, LYS391, LYS434, LYS524, LYS584, LYS634, LYS94, MET1321, MET674, PHE1251, PHE1301, PHE464, PHE534, PHE801, PHE811, PRO1971, PRO2631, PRO2711, PRO421, PRO504, PRO541, PRO564, PRO571, PRO664, SER1951, SER231, SER364, SER381, SER384, SER424, SER474, SER514, SER581, SER64, SER711, SER731, SER74, SER761, SER791, THR221, THR244, THR361, THR451, THR491, THR521, THR544, THR644, TRP2691, TYR1981, TYR274, TYR334, VAL104, VAL1961, VAL1991, VAL2681, VAL471, VAL561
• 2-3: ALA1212, ALA1263, ALA1902, ALA2352, ALA2402, ALA292, ALA342, ALA472, ALA473, ARG1032, ARG122, ARG2012, ARG2063, ARG372, ARG432, ARG693, ARG713, ARG762, ASN1892, ASN1992, ASN2032, ASN2142, ASN2382, ASN482, ASN633, ASP1573, ASP1782, ASP2093, ASP353, ASP503, CYS1213, GLN1192, GLN1613, GLU1023, GLU2073, GLU2422, GLU272, GLU393, GLU402, GLU453, GLU462, GLU483, GLU663, GLY1013, GLY1202, GLY1223, GLY1232, GLY1283, GLY1592, GLY1593, GLY1842, GLY1882, GLY2123, GLY362, GLY383, HIS1182, HIS1952, HIS973, ILE1033, ILE1583, ILE1972, ILE1982, ILE1983, ILE2103, ILE2182, ILE2313, ILE343, ILE363, ILE493, ILE533, LEU1003, LEU1193, LEU1222, LEU1603, LEU1802, LEU1812, LEU1862, LEU1872, LEU2002, LEU2023, LEU2102, LEU2113, LEU2162, LEU2322, LEU2342, LEU2372, LEU422, LEU463, LEU573, LYS1162, LYS623, LYS732, MET1243, MET1253, MET2083, MET523, MET653, MET673, MET993, PHE1172, PHE1203, PHE1252, PHE1572, PHE1912, PHE1932, PHE2133, PHE2392, PRO1282, PRO1942, PRO2013, PRO2053, PRO2112, PRO2332, PRO2362, PRO2452, PRO323, PRO333, PRO373, PRO392, PRO543, SER1152, SER1233, SER1623, SER1633, SER2033, SER2152, SER2172, SER2412, SER452, SER752, SER963, THR1273, THR1582, THR1602, THR1852, THR2022, THR2043, THR313, THR513, THR643, THR983, TRP1563, TRP2272, TRP382, TRP712, TYR1792, TYR2122, TYR352, TYR683, VAL1772, VAL1922, VAL2003, VAL2132, VAL2143, VAL332, VAL403, VAL703
• 2-4: ALA282, ALA292, ALA342, ARG122, ARG372, ASN1992, ASN2032, ASN302, ASN694, ASP112, ASP594, GLN1962, GLU272, GLU52, GLU554, GLY362, GLY82, HIS1952, ILE574, ILE624, LEU142, LEU162, LEU2082, LEU614, LEU684, LYS524, LYS584, MET2562, MET674, PHE1912, PHE1932, PHE534, PRO1942, PRO504, PRO564, PRO664, SER102, SER312, SER514, THR2022, THR2072, THR544, TRP382, TYR352, TYR92, VAL132, VAL1922, VAL2092, VAL322, VAL332, VAL604
• 3-4: ALA163, ALA2163, ALA243, ALA374, ALA404, ALA414, ALA473, ALA654, ARG344, ASN183, ASN2183, ASN314, ASN394, ASN423, ASN694, ASP173, ASP353, ASP354, ASP454, ASP494, ASP503, CYS233, GLN1613, GLN203, GLN444, GLN484, GLU273, GLU393, GLU453, GLU483, GLU554, GLY383, ILE304, ILE363, ILE493, LEU1603, LEU253, LEU463, LEU684, LYS1153, LYS413, LYS434, LYS524, LYS634, MET443, MET674, PHE193, PHE283, PHE464, PHE534, PRO223, PRO263, PRO373, PRO504, PRO564, PRO664, SER1623, SER1633, SER213, SER2153, SER364, SER384, SER424, SER474, SER514, THR1173, THR1653, THR294, THR544, TYR274, TYR324, TYR334, VAL1673, VAL303, VAL403