1MEC

conformational variability of a picornavirus capsid: ph- dependent structural changes of mengo virus related to its host receptor attachment site and disassembly

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: 1-2
  • Int. Res.: 194
  • Norm. En. per Res.: -4.5137
• 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
1-2	-144.1131	-45.0336	-686.507	-875.6537	194	57	8	25903	0	38	30
1-3	-46.0828	-6.8259	-302.838	-355.7467	129	43	3	14456	0	11	12
1-4	-49.8552	-31.7931	1.296	-80.3523	49	40	0	5281	4	11	7
2-3	-29.9144	0.0	-233.585	-263.4994	76	16	5	9429	0	10	11
2-4	0.0	0.0	-24.6355	-24.6355	19	0	2	877	0	0	0
3-4	-7.9104	1.521	-88.1716	-94.561	59	2	3	3866	0	8	2

Interface residues

• 1-2: ALA1312, ALA1412, ALA1662, ALA1991, ALA2012, ALA2102, ALA2171, ALA51, ALA801, ARG132, ARG1562, ARG1612, ARG1862, ARG2071, ARG2492, ARG2511, ARG2552, ARG2701, ARG322, ARG812, ARG881, ASN1532, ASN1602, ASN1712, ASN1842, ASN1882, ASN1992, ASN2031, ASN2101, ASN32, ASN41, ASN951, ASN971, ASP1111, ASP12, ASP1382, ASP1682, ASP1922, ASP2091, ASP2131, ASP781, CYS1151, CYS2491, GLN1101, GLN1582, GLN1702, GLN1742, GLN1812, GLN2082, GLN22, GLN2562, GLU1021, GLU111, GLU1332, GLU31, GLU61, GLU911, GLU981, GLU991, GLY11, GLY1542, GLY1632, GLY2041, GLY2121, GLY2151, GLY312, GLY352, GLY741, GLY81, GLY941, GLY961, HIS1692, HIS1802, HIS2051, HIS2092, HIS862, ILE2002, ILE2161, ILE921, LEU1052, LEU1061, LEU1161, LEU1262, LEU1272, LEU1372, LEU1512, LEU1772, LEU1832, LEU1852, LEU1932, LEU1941, LEU1971, LEU2141, LEU332, LEU842, LEU891, LYS1071, LYS1622, LYS2061, LYS71, MET1672, PHE1041, PHE1141, PHE1171, PHE1201, PHE1292, PHE1402, PHE1652, PHE1722, PHE1822, PHE2081, PHE2481, PHE2551, PHE2561, PHE772, PRO1191, PRO1322, PRO1352, PRO1522, PRO1642, PRO1792, PRO1931, PRO1962, PRO1981, PRO2022, PRO2181, PRO2501, PRO2521, PRO2571, PRO731, PRO751, PRO791, PRO832, SER1011, SER1131, SER1181, SER1252, SER1921, SER1951, SER2042, SER2052, SER2112, SER2201, SER2542, SER472, THR1001, THR101, THR1081, THR1362, THR1552, THR1572, THR1592, THR1762, THR1872, THR1902, THR2032, THR2072, THR2111, THR2132, THR2531, THR292, THR721, THR901, TRP1732, TRP1752, TRP2011, TRP2062, TRP2122, TRP2581, TRP931, TYR1042, TYR1121, TYR1221, TYR1231, TYR1342, TYR1782, TYR1901, TYR1972, TYR2021, TYR362, VAL1031, VAL1211, VAL1282, VAL1392, VAL1912, VAL1952, VAL1961, VAL1982, VAL2001, VAL21, VAL2541, VAL302, VAL342, VAL91
• 1-3: ALA1023, ALA113, ALA1333, ALA1761, ALA1783, ALA2171, ALA2263, ALA963, ARG1441, ARG1691, ARG1713, ARG2071, ARG2411, ARG83, ARG851, ARG993, ASN1003, ASN1793, ASN1821, ASN1823, ASN1911, ASN2101, ASN2191, ASP1763, ASP1843, ASP2091, CYS1461, GLN1033, GLN1571, GLN1721, GLN1773, GLN1831, GLN813, GLN871, GLU1281, GLU1671, GLU93, GLY123, GLY1323, GLY1343, GLY1491, GLY1681, GLY1743, GLY1771, GLY1791, GLY1853, GLY2041, HIS103, HIS1693, HIS2051, ILE1803, ILE1841, ILE2161, ILE2233, ILE73, LEU1311, LEU1411, LEU1421, LEU1591, LEU183, LEU1941, LEU973, LYS1531, LYS2061, LYS2203, LYS2431, MET1723, MET2213, PHE1013, PHE1643, PHE1703, PHE1861, PHE2081, PHE443, PRO1303, PRO1313, PRO1331, PRO1471, PRO1511, PRO1541, PRO1673, PRO1711, PRO1891, PRO1931, PRO2181, PRO2223, PRO2253, PRO2273, SER1321, SER163, SER1641, SER1661, SER1663, SER1751, SER1811, SER1851, SER1921, SER1951, SER2201, SER2243, THR1301, THR133, THR1481, THR1501, THR1521, THR1551, THR1561, THR1683, THR1701, THR173, THR1753, THR1801, THR1813, TRP143, TRP1451, TRP1863, TRP2283, TYR1043, TYR153, TYR1741, TYR1901, TYR2021, VAL1291, VAL1431, VAL1581, VAL1731, VAL1733, VAL1833, VAL1871
• 1-4: ALA341, ARG2411, ARG2461, ARG391, ASN104, ASN164, ASN1911, ASN2441, ASN291, ASN314, ASN94, ASP1261, ASP344, ASP381, CYS1251, GLN284, GLN301, GLN304, GLU1281, GLU144, GLU174, GLY154, ILE334, LEU1271, LEU354, LYS1241, LYS2431, LYS321, MET2451, PHE2221, PHE2481, PHE351, PHE361, PRO1891, SER114, SER124, SER134, SER324, SER401, THR311, TYR1231, TYR1901, TYR2421, TYR294, TYR371, VAL1871, VAL1881, VAL2471, VAL331
• 2-3: ALA1333, ALA1423, ALA1453, ALA2012, ALA462, ALA492, ARG1012, ARG1022, ARG1053, ARG1713, ARG2492, ARG2552, ASN1793, ASN1992, ASN2462, ASP1403, ASP1843, ASP2163, ASP502, CYS482, GLN1413, GLN1443, GLN2082, GLN2562, GLU2512, GLY1063, GLY1323, GLY1343, GLY1853, GLY2472, HIS1032, HIS1693, HIS2092, HIS2502, HIS442, ILE1653, ILE1803, ILE2002, LEU1052, LEU2482, LEU2532, LYS1353, MET1433, PHE1643, PHE1703, PRO1303, PRO1313, PRO1363, PRO1633, PRO1673, PRO2022, PRO452, SER1073, SER1663, SER2042, SER2052, SER2542, SER472, THR1293, THR1373, THR1463, THR1613, THR1683, THR1813, THR2032, THR2072, THR512, TRP1863, TRP2062, TYR1042, TYR1283, TYR1972, VAL1062, VAL1623, VAL1833, VAL2522
• 2-4: ALA374, ALA394, ALA462, ALA492, ASN384, ASP412, CYS482, GLU432, GLY414, GLY422, HIS442, LYS1072, PRO2022, PRO452, SER364, SER424, SER472, THR404, VAL2442
• 3-4: ALA2133, ALA374, ALA394, ALA483, ARG1053, ARG83, ASN384, ASN534, ASP203, ASP2163, ASP433, ASP434, GLN304, GLN493, GLN504, GLU403, GLU463, GLY2143, GLY393, GLY414, GLY494, HIS103, HIS1693, ILE334, ILE473, ILE503, LEU183, LEU354, LEU453, LYS2153, LYS2203, LYS423, LYS464, MET2213, PHE1703, PHE2173, PHE244, PHE443, PHE514, PRO193, PRO444, PRO454, SER1073, SER213, SER2183, SER264, SER324, SER364, SER424, SER524, THR173, THR474, TYR153, TYR254, TYR294, TYR413, TYR484, VAL194, VAL383