1VBA

poliovirus (type 3, sabin strain) (p3/sabin, p3/leon/12a(1) b) complexed with r78206

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: 0-4
  • Int. Res.: 17
  • Norm. En. per Res.: -5.0245
• 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
0-4	-29.1298	0.0	-56.2862	-85.416	17	2	2	2058	0	0	0
1-2	-151.3943	-90.9661	-716.318	-958.6784	198	34	24	25572	8	33	26
1-3	-238.6636	-104.2872	-1117.23	-1460.1808	306	57	25	42203	10	57	52
1-4	-55.4944	-20.857	-190.694	-267.0453	99	7	5	8155	4	21	21
2-3	-82.6014	-26.2525	-446.577	-555.4309	158	26	7	17405	3	14	11
2-4	-41.7861	14.2743	-134.052	-161.5638	50	6	3	5284	0	6	8
3-4	-94.1683	-5.9945	-213.457	-313.6199	75	19	2	7499	2	14	16

Interface residues

• 0-4: ALA34, ASN264, GLN44, GLN444, GLU80, GLY24, ILE304, ILE60, SER424, SER64, SER70, SER74, THR284, THR294, TYR274, VAL54, VAL90
• 1-2: ALA1212, ALA1332, ALA1452, ALA1472, ALA1892, ALA2021, ALA2041, ALA2052, ALA2131, ALA2142, ALA2162, ALA2211, ALA2321, ALA2672, ALA2771, ALA282, ALA292, ALA342, ALA461, ALA472, ALA511, ARG1091, ARG1191, ARG1201, ARG122, ARG1291, ARG1402, ARG1712, ARG2002, ARG2632, ARG2731, ARG2761, ARG2881, ARG372, ASN1462, ASN1482, ASN1612, ASN1882, ASN1982, ASN2022, ASN2031, ASN2132, ASN2221, ASN2242, ASN2252, ASN2642, ASN2891, ASN2901, ASN302, ASN482, ASP112, ASP1352, ASP1372, ASP1772, ASP2101, ASP2182, ASP2201, ASP2231, ASP2271, ASP2371, ASP2861, ASP2921, ASP452, ASP842, CYS1312, CYS1742, CYS1822, CYS2711, GLN1392, GLN1592, GLN1952, GLN2241, GLN2712, GLU1231, GLU1292, GLU462, GLU481, GLY1232, GLY1342, GLY1812, GLY1832, GLY1872, GLY2001, GLY2111, GLY2261, GLY2272, GLY2821, GLY2841, GLY501, HIS1942, HIS2071, HIS2232, ILE1272, ILE1962, ILE1972, ILE2072, ILE2172, LEU1222, LEU1322, LEU1792, LEU1802, LEU1852, LEU1862, LEU1992, LEU2011, LEU2152, LEU2171, LEU2291, LEU2332, LEU2911, LEU2941, LEU822, LYS1131, LYS1382, LYS1622, LYS2141, LYS2181, LYS2222, LYS2692, LYS812, MET2202, MET2331, PHE1241, PHE1251, PHE1562, PHE1602, PHE1732, PHE1902, PHE2081, PHE2121, PHE2702, PRO1282, PRO1752, PRO1932, PRO2102, PRO2161, PRO2682, PRO2721, PRO2741, PRO2751, PRO2791, PRO2831, PRO2931, PRO832, SER1281, SER1362, SER1432, SER2042, SER2061, SER2192, SER2281, SER2311, SER312, THR1261, THR1422, THR2012, THR2062, THR2191, THR2341, THR2662, THR451, THR491, THR521, TRP2262, TRP2701, TRP792, TRP802, TYR1271, TYR1302, TYR1412, TYR1442, TYR1572, TYR1782, TYR1922, TYR1981, TYR2051, TYR2091, TYR2112, TYR2301, TYR2801, TYR2811, TYR2871, TYR352, TYR972, VAL1242, VAL1762, VAL1842, VAL1912, VAL2122, VAL2151, VAL2212, VAL2351, VAL2652, VAL2781, VAL2851, VAL322, VAL332, VAL471
• 1-3: ALA1113, ALA1333, ALA1353, ALA1483, ALA1891, ALA1901, ALA1921, ALA2021, ALA2041, ALA2163, ALA243, ALA2771, ALA431, ALA461, ALA473, ALA511, ALA561, ALA821, ALA851, ALA881, ARG1191, ARG1201, ARG1291, ARG1773, ARG1931, ARG2233, ARG2263, ARG2591, ARG2681, ARG2731, ARG2761, ARG623, ARG691, ARG693, ARG701, ARG721, ARG831, ARG943, ASN1053, ASN113, ASN1801, ASN183, ASN2031, ASN2183, ASN2901, ASN423, ASN531, ASN563, ASN633, ASP1141, ASP1311, ASP1573, ASP173, ASP2193, ASP2273, ASP251, ASP291, ASP2921, ASP293, ASP353, ASP503, ASP591, ASP663, ASP923, CYS1213, CYS1643, CYS2173, CYS233, CYS2711, CYS843, CYS861, GLN1171, GLN123, GLN1403, GLN1613, GLN1813, GLN203, GLN2333, GLN621, GLN681, GLN803, GLU1023, GLU1231, GLU1331, GLU1473, GLU273, GLU2961, GLU393, GLU453, GLU481, GLU483, GLU583, GLU741, GLU781, GLY1013, GLY1123, GLY1513, GLY1593, GLY1881, GLY1883, GLY2001, GLY2123, GLY2981, GLY383, GLY501, GLY841, HIS1093, HIS1533, HIS193, HIS2303, HIS2661, HIS973, ILE1101, ILE1553, ILE1713, ILE1831, ILE1903, ILE1941, ILE2313, ILE253, ILE2601, ILE343, ILE363, ILE493, ILE533, ILE771, ILE823, LEU1003, LEU1043, LEU1143, LEU1181, LEU1193, LEU1221, LEU143, LEU1583, LEU1603, LEU2011, LEU2113, LEU2243, LEU2253, LEU271, LEU2911, LEU2941, LEU2991, LEU441, LEU463, LEU551, LEU553, LEU573, LEU723, LEU833, LEU853, LEU873, LEU953, LYS1131, LYS1153, LYS1211, LYS2631, LYS2651, LYS2971, LYS413, LYS613, MET1321, MET1663, MET1923, MET2103, MET2621, MET433, MET443, MET523, MET673, MET993, PHE1163, PHE1183, PHE1203, PHE1241, PHE1251, PHE1341, PHE1361, PHE1933, PHE2133, PHE2203, PHE2381, PHE283, PHE801, PHE811, PHE913, PRO1413, PRO1423, PRO1611, PRO1693, PRO1811, PRO1911, PRO1971, PRO223, PRO263, PRO2721, PRO2741, PRO2751, PRO2791, PRO281, PRO2931, PRO323, PRO333, PRO373, PRO421, PRO541, PRO543, PRO571, PRO813, PRO933, SER103, SER1133, SER1281, SER1443, SER1623, SER163, SER1633, SER1723, SER1791, SER1821, SER1913, SER1951, SER2061, SER213, SER2153, SER2213, SER2323, SER2343, SER2951, SER581, SER593, SER711, SER731, SER751, SER791, SER863, SER883, SER963, THR1083, THR1151, THR1173, THR1261, THR1351, THR1433, THR1523, THR153, THR1653, THR1753, THR2283, THR2293, THR3001, THR301, THR3011, THR313, THR451, THR491, THR513, THR521, THR601, THR603, THR631, THR643, THR713, THR761, THR983, TRP1103, TRP1563, TRP1703, TRP2701, TYR1063, TYR1073, TYR1271, TYR133, TYR1343, TYR1591, TYR1763, TYR1893, TYR1981, TYR2051, TYR2611, TYR2801, TYR3021, TYR683, VAL1033, VAL1161, VAL1371, VAL1543, VAL1673, VAL1683, VAL1743, VAL1961, VAL1991, VAL2143, VAL2223, VAL2671, VAL2691, VAL2781, VAL303, VAL403, VAL411, VAL471, VAL611, VAL661, VAL703, VAL871
• 1-4: ALA374, ALA404, ALA414, ALA431, ALA461, ALA511, ALA561, ALA654, ALA674, ALA821, ARG1931, ARG2681, ARG691, ARG701, ARG721, ARG831, ASN394, ASN531, ASN694, ASP1311, ASP251, ASP354, ASP454, ASP494, ASP591, ASP594, CYS2711, GLN241, GLN444, GLN484, GLU1331, GLU401, GLU481, GLU554, GLU741, GLU781, GLY501, HIS2661, ILE1941, ILE624, ILE771, LEU271, LEU441, LEU551, LEU574, LEU614, LEU684, LYS2631, LYS2651, LYS391, LYS434, LYS524, LYS584, LYS634, LYS94, MET1321, PHE1251, PHE1301, PHE534, PHE801, PHE811, PRO1971, PRO2641, PRO2721, PRO421, PRO504, PRO541, PRO564, PRO571, PRO664, SER1951, SER261, SER364, SER381, SER384, SER424, SER474, SER514, SER581, SER711, SER731, SER791, THR451, THR491, THR521, THR544, THR644, THR761, TRP2701, TYR1981, TYR334, TYR464, VAL1961, VAL1991, VAL2671, VAL2691, VAL411, VAL471, VAL604
• 2-3: ALA1212, ALA1263, ALA1892, ALA2142, ALA2162, ALA2392, ALA292, ALA342, ALA472, ALA473, ARG1032, ARG122, ARG2002, ARG372, ARG432, ARG623, ARG693, ASN1882, ASN1982, ASN2022, ASN2132, ASN482, ASN633, ASP1573, ASP1772, ASP2372, ASP2412, ASP353, ASP452, ASP503, ASP663, CYS1213, GLN1192, GLN1592, GLN1613, GLN2402, GLU1023, GLU272, GLU393, GLU402, GLU453, GLU462, GLU483, GLY1013, GLY1202, GLY1223, GLY1232, GLY1283, GLY1593, GLY1812, GLY1872, GLY2123, GLY362, GLY383, GLY772, HIS1182, HIS1942, HIS2303, HIS973, ILE1962, ILE1972, ILE1983, ILE2172, ILE343, ILE363, ILE422, ILE493, ILE533, LEU1003, LEU1193, LEU1222, LEU1583, LEU1603, LEU1792, LEU1802, LEU1852, LEU1862, LEU1992, LEU2023, LEU2092, LEU2113, LEU2152, LEU2312, LEU2332, LEU2362, LEU463, LEU573, LEU723, LYS1162, LYS2063, LYS732, LYS762, MET1243, MET1253, MET2083, MET2103, MET523, MET653, MET673, MET993, PHE1172, PHE1203, PHE1252, PHE1562, PHE1902, PHE2133, PHE2382, PRO1282, PRO1932, PRO2013, PRO2053, PRO2102, PRO2322, PRO2352, PRO323, PRO333, PRO373, PRO392, PRO543, PRO933, SER1152, SER1233, SER1582, SER1623, SER1633, SER2033, SER2073, SER2093, SER2342, SER752, SER963, THR1273, THR2012, THR2043, THR313, THR513, THR643, THR713, THR983, TRP1563, TRP2262, TRP382, TRP712, TYR1572, TYR1782, TYR1922, TYR2112, TYR352, TYR683, VAL1033, VAL1762, VAL1842, VAL1912, VAL2003, VAL2122, VAL2442, VAL403, VAL703
• 2-4: ALA282, ALA292, ALA342, ALA674, ARG122, ARG2002, ARG372, ASN1982, ASN2022, ASN302, ASN694, ASP112, ASP594, GLN1952, GLU272, GLU554, GLY362, GLY82, HIS1942, ILE2072, LEU142, LEU162, LEU574, LEU614, LEU684, LYS524, LYS584, MET2552, PHE1902, PHE534, PRO1932, PRO504, PRO564, PRO664, SER102, SER312, SER514, THR2012, THR2062, THR544, TRP382, TYR1922, TYR352, TYR92, VAL132, VAL1912, VAL2082, VAL322, VAL332, VAL604
• 3-4: ALA2163, ALA243, ALA374, ALA404, ALA414, ALA473, ALA654, ALA674, ASN183, ASN2183, ASN314, ASN394, ASN423, ASN694, ASP173, ASP353, ASP354, ASP454, ASP494, ASP503, CYS233, GLN1613, GLN203, GLN444, GLN484, GLU273, GLU393, GLU453, GLU483, GLU554, GLY383, HIS193, ILE253, ILE304, ILE363, ILE493, LEU1603, LEU463, LEU614, LEU684, LYS1153, LYS344, LYS413, LYS434, LYS524, LYS634, MET443, PHE283, PHE534, PRO223, PRO263, PRO373, PRO504, PRO564, PRO664, SER1623, SER163, SER1633, SER213, SER2153, SER364, SER384, SER424, SER474, SER514, THR153, THR294, THR544, TYR274, TYR324, TYR334, TYR464, VAL1673, VAL303, VAL403