1TMF

three-dimensional structure of theiler murine encephalomyelitis virus (bean strain)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: 2-3
  • Int. Res.: 72
  • Norm. En. per Res.: -2.7697
• 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	-106.9495	135.9384	20.3456	49.3345	199	217	12	25245	1	29	30
1-3	-94.7177	-13.0008	214.628	106.9095	136	126	3	13529	2	10	11
1-4	0.0	-0.0814	-42.8174	-42.8989	46	3	0	3009	1	13	6
2-3	-27.1064	0.0	-172.313	-199.4194	72	13	3	7842	0	9	9
2-4	0.0	0.0	-2.5866	-2.5866	8	1	1	117	0	0	0
3-4	0.0	0.0	-26.1149	-26.1149	36	1	1	1529	0	3	0

Interface residues

• 1-2: ALA1041, ALA1312, ALA1632, ALA1772, ALA2001, ALA2011, ALA2122, ALA2181, ALA2211, ALA2212, ALA51, ALA762, ARG132, ARG1682, ARG1722, ARG1972, ARG2491, ARG2602, ARG322, ARG812, ARG941, ARG971, ASN1051, ASN1792, ASN1822, ASN1952, ASN1992, ASN2041, ASN2102, ASN2111, ASN2201, ASN2222, ASN41, ASP1131, ASP12, ASP1492, ASP1702, ASP2032, ASP2081, ASP2141, ASP31, ASP791, CYS1181, CYS2471, CYS342, GLN1121, GLN1612, GLN1812, GLN1832, GLN1852, GLN1922, GLN2192, GLN22, GLN2342, GLN921, GLU1332, GLU1462, GLU2761, GLU52, GLU61, GLY1001, GLY1372, GLY1432, GLY1622, GLY1662, GLY1742, GLY2051, GLY2101, GLY2161, GLY312, GLY372, GLY81, GLY831, GLY991, HIS1802, HIS1912, HIS2202, HIS862, ILE1932, ILE2652, LEU1081, LEU1171, LEU1262, LEU1272, LEU1942, LEU1951, LEU1962, LEU1981, LEU2302, LEU2521, LEU332, LEU731, LYS1412, LYS2131, LYS71, LYS91, MET1091, MET1302, MET1452, PHE1061, PHE1161, PHE1191, PHE1221, PHE1241, PHE1292, PHE1342, PHE1512, PHE1752, PHE1762, PHE2031, PHE2091, PHE2151, PHE2461, PHE2531, PHE2541, PHE772, PRO1071, PRO1211, PRO1322, PRO1472, PRO1502, PRO1642, PRO1902, PRO1941, PRO1991, PRO2132, PRO2191, PRO2322, PRO2481, PRO2501, PRO2551, PRO741, PRO832, PRO841, SER111, SER1201, SER1252, SER1482, SER1712, SER1931, SER1961, SER2071, SER2142, SER2152, SER2162, SER2312, SER472, SER801, SER811, SER821, SER981, THR1101, THR1231, THR1362, THR1422, THR1442, THR1652, THR1732, THR1782, THR1872, THR1982, THR2012, THR2121, THR2182, THR2242, THR2511, THR2632, THR292, TRP1842, TRP1862, TRP2021, TRP2061, TRP2232, TRP2561, TRP931, TRP951, TYR1042, TYR1141, TYR1251, TYR1352, TYR1672, TYR1692, TYR1892, TYR1911, TYR2082, TYR362, TYR631, VAL101, VAL1882, VAL1971, VAL2022, VAL2062, VAL2092, VAL21, VAL2112, VAL2171, VAL2642, VAL302, VAL961
• 1-3: ALA1343, ALA1481, ALA1521, ALA1541, ALA1801, ALA2181, ALA2211, ALA891, ALA973, ARG1003, ARG1063, ARG1461, ARG1711, ARG1723, ARG2213, ARG2251, ARG2391, ARG83, ASN1013, ASN1033, ASN1721, ASN1821, ASN183, ASN1921, ASN2111, ASN2201, ASP1551, ASP1581, ASP2081, ASP2141, CYS133, GLN1043, GLN1591, GLN1733, GLN1841, GLU1301, GLU1691, GLU93, GLY123, GLY1333, GLY1353, GLY1511, GLY1621, GLY1681, GLY1791, GLY1811, GLY2051, GLY2241, HIS103, HIS1703, HIS1741, ILE1611, ILE1813, ILE2243, LEU1451, LEU1601, LEU1671, LEU1771, LEU1951, LEU443, LYS113, LYS1363, LYS2131, LYS2283, LYS2411, LYS881, MET1751, MET2223, PHE1023, PHE143, PHE1653, PHE1871, PHE2031, PHE2091, PHE2231, PRO1323, PRO1491, PRO1531, PRO1683, PRO1731, PRO1793, PRO1901, PRO193, PRO1941, PRO2191, PRO2233, PRO2263, SER1341, SER163, SER1661, SER1673, SER1753, SER1783, SER1831, SER1833, SER1861, SER1931, SER1961, SER2071, SER2253, THR1321, THR1501, THR1571, THR1641, THR1693, THR1701, THR173, THR1743, THR1773, THR1803, THR1823, THR2273, TRP1471, TRP1761, TRP1873, TRP2061, TRP2271, TRP2293, TYR1053, TYR153, TYR1713, TYR1763, TYR1911, VAL1311, VAL1331, VAL1441, VAL1561, VAL1781, VAL1843, VAL1851, VAL1881, VAL1891, VAL1971, VAL2303, VAL73, VAL911
• 1-4: ALA341, ALA374, ALA401, ARG2391, ARG321, ARG391, ASN124, ASN164, ASN1921, ASN234, ASN274, ASN291, ASN314, ASP1281, ASP344, ASP381, CYS1271, GLN284, GLN301, GLN304, GLU1301, GLU134, GLU174, GLY154, ILE334, LEU1291, LEU354, LYS1261, LYS2411, LYS2421, LYS2441, MET2431, PHE351, PHE361, PRO1901, PRO271, SER144, SER1961, SER324, TYR1911, TYR2401, TYR294, TYR371, VAL1881, VAL1891, VAL331
• 2-3: ALA1343, ALA1433, ALA1633, ALA2122, ALA462, ALA492, ARG1012, ARG1022, ARG1063, ARG1723, ARG2602, ASN2102, ASN2572, ASP1413, ASP1853, ASP2173, ASP502, CYS1062, CYS482, GLN1423, GLN1453, GLN2192, GLU2622, GLY1073, GLY1333, GLY1353, GLY1863, GLY2582, HIS1032, HIS1703, HIS2202, HIS2612, ILE1663, ILE1813, LEU1052, LEU2592, LYS1363, MET1443, PHE1653, PRO1313, PRO1323, PRO1373, PRO1643, PRO1683, PRO2132, PRO452, SER1083, SER1463, SER1673, SER1833, SER2142, SER2152, SER2162, SER472, THR1303, THR1383, THR1393, THR1473, THR1693, THR1803, THR1823, THR2182, THR2632, TRP1873, TRP2172, TYR1042, TYR1293, TYR1713, TYR2082, VAL1843, VAL2112, VAL2642
• 2-4: ALA374, ALA462, GLU432, HIS442, PRO2132, PRO452, SER364, SER472
• 3-4: ALA374, ARG1063, ARG2213, ARG83, ASN183, ASN544, ASP203, ASP433, CYS383, GLN304, GLU403, GLU463, GLY393, HIS103, HIS1703, ILE334, LEU354, LEU473, LEU503, LEU524, MET2223, MET943, PHE244, PHE413, PRO193, SER264, SER324, SER364, SER423, SER534, THR173, THR213, TYR153, TYR1713, TYR254, TYR294