1TME

three-dimensional structure of theiler virus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: 3-4
  • Int. Res.: 49
  • Norm. En. per Res.: -4.7615
• 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	-137.7868	-0.1432	-727.113	-865.043	196	28	11	25766	4	28	29
1-3	-232.7429	2.5689	-937.548	-1167.722	252	54	16	35079	0	34	29
1-4	-39.9908	-13.3401	-99.7628	-153.0937	46	6	0	3517	3	9	4
2-3	-37.773	2.4352	-423.073	-458.4107	163	23	7	17030	1	9	5
2-4	0.0	0.0	-4.3783	-4.3783	10	1	1	245	0	0	0
3-4	-62.9528	7.9239	-178.284	-233.3129	49	12	2	6001	0	1	3

Interface residues

• 1-2: ALA1312, ALA1632, ALA1772, ALA1981, ALA1991, ALA2122, ALA2161, ALA2191, ALA2212, ALA51, ARG132, ARG1682, ARG1722, ARG1972, ARG2471, ARG2602, ARG322, ARG812, ARG941, ARG971, ASN1031, ASN1792, ASN1822, ASN1952, ASN1992, ASN2021, ASN2091, ASN2102, ASN2181, ASN2222, ASN41, ASP1111, ASP1442, ASP1492, ASP1702, ASP2032, ASP2061, ASP2121, ASP791, CYS1161, CYS2451, CYS342, GLN1101, GLN1612, GLN1812, GLN1832, GLN1852, GLN1922, GLN2192, GLN921, GLU1332, GLU1462, GLU61, GLY1001, GLY1372, GLY1432, GLY1622, GLY1662, GLY1742, GLY2031, GLY2081, GLY2141, GLY312, GLY372, GLY81, GLY831, GLY991, HIS1802, HIS1912, HIS2202, HIS862, ILE1932, ILE2112, ILE2652, LEU1052, LEU1061, LEU1151, LEU1262, LEU1272, LEU1931, LEU1942, LEU1961, LEU1962, LEU2042, LEU2501, LEU332, LEU731, LEU842, LYS1412, LYS2111, LYS71, LYS91, MET1071, MET1302, MET1452, MET1782, PHE1041, PHE1141, PHE1171, PHE1201, PHE1292, PHE1342, PHE1512, PHE1752, PHE1762, PHE2011, PHE2071, PHE2131, PHE2302, PHE2441, PHE2511, PHE2521, PHE772, PRO1051, PRO1191, PRO1322, PRO1472, PRO1502, PRO1642, PRO1902, PRO1921, PRO1971, PRO2072, PRO2132, PRO2171, PRO2461, PRO2481, PRO2531, PRO721, PRO741, PRO832, PRO841, SER1181, SER1252, SER1712, SER1911, SER1941, SER2051, SER2152, SER2162, SER282, SER472, SER801, SER821, SER981, THR1011, THR1021, THR1081, THR1211, THR1362, THR1402, THR1482, THR1522, THR1652, THR1732, THR1872, THR1982, THR2012, THR2101, THR2142, THR2182, THR2242, THR2491, THR2632, THR292, THR811, TRP1842, TRP1862, TRP2001, TRP2041, TRP2172, TRP2232, TRP2541, TRP931, TRP951, TYR1042, TYR1121, TYR1221, TYR1231, TYR1352, TYR1672, TYR1692, TYR1891, TYR1892, TYR2082, TYR362, VAL101, VAL1282, VAL1882, VAL1951, VAL2022, VAL2062, VAL2092, VAL2151, VAL302, VAL961
• 1-3: ALA1131, ALA1283, ALA1461, ALA1463, ALA1493, ALA1501, ALA151, ALA1633, ALA211, ALA2143, ALA341, ALA401, ALA51, ALA963, ALA973, ALA993, ARG1003, ARG1063, ARG1441, ARG1691, ARG2213, ARG2351, ARG2371, ARG2471, ARG321, ARG391, ARG633, ASN1013, ASN1031, ASN1033, ASN1103, ASN121, ASN1563, ASN1701, ASN1801, ASN183, ASN1901, ASN291, ASN343, ASN41, ASN563, ASN613, ASN923, ASP1261, ASP131, ASP141, ASP1523, ASP181, ASP203, ASP2163, ASP2173, ASP31, ASP353, ASP381, ASP433, CYS1161, CYS1251, CYS133, CYS2451, CYS383, CYS483, CYS873, CYS893, CYS913, GLN1043, GLN1821, GLN2323, GLN301, GLU1281, GLU221, GLU281, GLU403, GLU463, GLU61, GLY1073, GLY11, GLY123, GLY1543, GLY1791, GLY2153, GLY273, GLY393, GLY553, GLY81, HIS1703, HIS1721, ILE1273, ILE1503, ILE1663, ILE1831, ILE2243, ILE2361, ILE253, ILE303, LEU1061, LEU1093, LEU1123, LEU1151, LEU1271, LEU1431, LEU1553, LEU1931, LEU1961, LEU2093, LEU2113, LEU2203, LEU2241, LEU2501, LEU261, LEU443, LEU453, LEU473, LEU503, LEU543, LEU701, LEU953, LYS113, LYS1241, LYS2283, LYS2391, LYS2401, LYS2421, LYS251, LYS283, LYS493, LYS623, LYS71, LYS91, MET1731, MET2223, MET2411, MET373, MET903, MET943, PHE1023, PHE1041, PHE1113, PHE1133, PHE1153, PHE1171, PHE1201, PHE143, PHE1593, PHE1613, PHE1653, PHE1851, PHE191, PHE2183, PHE2441, PHE2511, PHE2521, PHE351, PHE361, PHE413, PHE533, PRO1191, PRO1471, PRO1643, PRO1711, PRO1881, PRO1921, PRO193, PRO2233, PRO2263, PRO231, PRO2313, PRO243, PRO2461, PRO2481, PRO2531, PRO2551, PRO271, PRO333, PRO421, PRO513, PRO573, PRO653, SER1083, SER111, SER1181, SER1321, SER1573, SER1583, SER161, SER163, SER1673, SER1841, SER1911, SER1941, SER21, SER2133, SER2253, SER2331, SER313, SER423, SER863, SER883, SER933, SER981, THR1163, THR1211, THR1301, THR1473, THR1481, THR1623, THR173, THR1811, THR213, THR2193, THR223, THR2273, THR2491, THR293, THR311, THR323, THR523, TRP1451, TRP1513, TRP2293, TRP2541, TYR1053, TYR1121, TYR1221, TYR1231, TYR1293, TYR1483, TYR153, TYR1713, TYR1891, TYR263, TYR363, TYR371, TYR643, VAL101, VAL1143, VAL1291, VAL1311, VAL1603, VAL171, VAL1861, VAL1871, VAL1951, VAL201, VAL2303, VAL233, VAL241, VAL2431, VAL2561, VAL331, VAL411, VAL961, VAL983
• 1-4: ALA341, ALA384, ALA401, ARG2371, ARG321, ARG391, ASN174, ASN1901, ASN284, ASN291, ASN324, ASP1261, ASP354, ASP381, CYS1251, GLN294, GLN301, GLN314, GLU1281, GLU184, GLY164, GLY194, ILE344, LEU1271, LEU364, LYS1241, LYS2391, LYS2401, LYS2421, MET2411, PHE1851, PHE2211, PHE351, PHE361, PRO1881, SER154, SER1941, SER334, TYR1891, TYR2381, TYR264, TYR304, TYR371, VAL1861, VAL1871, VAL331
• 2-3: ALA1183, ALA1193, ALA1232, ALA1632, ALA1772, ALA2122, ALA2282, ALA2362, ALA392, ALA462, ALA762, ALA963, ALA973, ARG1003, ARG132, ARG1972, ARG633, ASN1563, ASN1822, ASN1952, ASN1992, ASN2053, ASN2102, ASN2222, ASN343, ASN563, ASN923, ASP1523, ASP2073, ASP353, CYS383, CYS483, CYS893, CYS913, GLN1202, GLN1612, GLN1832, GLN1852, GLN2323, GLN2342, GLU382, GLU403, GLU432, GLU463, GLU752, GLY1173, GLY1233, GLY1242, GLY1543, GLY1622, GLY1662, GLY1742, GLY2013, GLY2382, GLY352, GLY372, GLY393, GLY553, HIS1222, HIS1802, HIS1912, HIS402, HIS412, HIS442, ILE1932, ILE2083, ILE2112, LEU1123, LEU1262, LEU1272, LEU1533, LEU1553, LEU1942, LEU1962, LEU1963, LEU2093, LEU2113, LEU2332, LEU473, LEU503, LEU543, LEU953, LYS1072, LYS1223, LYS2283, LYS493, LYS623, MET1203, MET373, MET903, MET943, PHE1153, PHE1212, PHE1292, PHE1752, PHE1762, PHE2302, PHE413, PHE533, PHE673, PHE772, PRO1322, PRO1602, PRO1642, PRO1902, PRO1993, PRO2033, PRO2072, PRO2132, PRO2313, PRO2322, PRO333, PRO452, PRO513, PRO573, PRO653, SER1192, SER1252, SER1573, SER1583, SER2003, SER2063, SER2312, SER2372, SER2392, SER472, SER683, SER782, SER933, THR1163, THR1652, THR1872, THR1982, THR2023, THR2103, THR2142, THR323, THR523, TRP1513, TRP1842, TRP1862, TRP2232, TRP2293, TRP702, TYR1892, TYR1983, TYR2082, TYR2352, TYR362, TYR363, TYR643, TYR663, VAL1143, VAL1213, VAL1882, VAL2043, VAL2062, VAL2092, VAL2123, VAL2292, VAL2303, VAL302, VAL983
• 2-4: ALA384, ALA462, CYS482, GLU432, HIS442, PRO2132, PRO452, SER374, SER394, SER472
• 3-4: ALA384, ASN174, ASN183, ASN234, ASN244, ASN284, ASN324, ASN343, ASP203, ASP353, ASP354, GLN294, GLN314, GLU184, GLY164, GLY194, GLY273, ILE214, ILE224, ILE253, ILE303, ILE344, LEU364, LYS283, PHE254, PRO193, PRO2233, PRO243, PRO333, SER154, SER163, SER274, SER313, SER334, SER374, SER394, SER423, THR173, THR213, THR223, THR293, THR323, TYR153, TYR263, TYR264, TYR304, TYR363, VAL204, VAL233