NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
1240 1ael cing 1-original 4 TINKER dihedral angle


# Peptide Bond Torsional Constraints
#

restrain  dihedral        2      3     13     14    175.00   185.00
restrain  dihedral       14     15     33     34    175.00   185.00
restrain  dihedral       34     35     45     46    175.00   185.00
restrain  dihedral       46     47     52     53    175.00   185.00
restrain  dihedral       53     54     66     67    175.00   185.00
restrain  dihedral       67     68     90     91    175.00   185.00
restrain  dihedral       91     92    112    113    175.00   185.00
restrain  dihedral      113    114    128    129    175.00   185.00
restrain  dihedral      129    130    140    141    175.00   185.00
restrain  dihedral      141    142    164    165    175.00   185.00
restrain  dihedral      165    166    178    179    175.00   185.00
restrain  dihedral      179    180    193    194    175.00   185.00
restrain  dihedral      194    195    207    208    175.00   185.00
restrain  dihedral      208    209    228    229    175.00   185.00
restrain  dihedral      229    230    243    244    175.00   185.00
restrain  dihedral      244    245    265    266    175.00   185.00
restrain  dihedral      266    267    285    286    175.00   185.00
restrain  dihedral      286    287    302    303    175.00   185.00
restrain  dihedral      303    304    317    318    175.00   185.00
restrain  dihedral      318    319    339    340    175.00   185.00
restrain  dihedral      340    341    356    357    175.00   185.00
restrain  dihedral      357    358    363    364    175.00   185.00
restrain  dihedral      364    365    382    383    175.00   185.00
restrain  dihedral      383    384    396    397    175.00   185.00
restrain  dihedral      397    398    412    413    175.00   185.00
restrain  dihedral      413    414    428    429    175.00   185.00
restrain  dihedral      429    430    450    451    175.00   185.00
restrain  dihedral      451    452    474    475    175.00   185.00
restrain  dihedral      475    476    496    497    175.00   185.00
restrain  dihedral      497    498    515    516    175.00   185.00
restrain  dihedral      516    517    522    523    175.00   185.00
restrain  dihedral      523    524    532    533    175.00   185.00
restrain  dihedral      533    534    550    551    175.00   185.00
restrain  dihedral      551    552    562    563    175.00   185.00
restrain  dihedral      563    564    576    577    175.00   185.00
restrain  dihedral      577    578    595    596    175.00   185.00
restrain  dihedral      596    597    617    618    175.00   185.00
restrain  dihedral      618    619    636    637    175.00   185.00
restrain  dihedral      637    638    650    651    175.00   185.00
restrain  dihedral      651    652    669    670    175.00   185.00
restrain  dihedral      670    671    683    684    175.00   185.00
restrain  dihedral      684    685    700    701    175.00   185.00
restrain  dihedral      701    702    715    716    175.00   185.00
restrain  dihedral      716    717    722    723    175.00   185.00
restrain  dihedral      723    724    736    737    175.00   185.00
restrain  dihedral      737    738    758    759    175.00   185.00
restrain  dihedral      759    760    778    779    175.00   185.00
restrain  dihedral      779    780    792    793    175.00   185.00
restrain  dihedral      793    794    808    809    175.00   185.00
restrain  dihedral      809    810    830    831    175.00   185.00
restrain  dihedral      831    832    845    846    175.00   185.00
restrain  dihedral      846    847    856    857    175.00   185.00
restrain  dihedral      857    858    867    868    175.00   185.00
restrain  dihedral      868    869    881    882    175.00   185.00
restrain  dihedral      882    883    901    902    175.00   185.00
restrain  dihedral      902    903    925    926    175.00   185.00
restrain  dihedral      926    927    939    940    175.00   185.00
restrain  dihedral      940    941    958    959    175.00   185.00
restrain  dihedral      959    960    970    971    175.00   185.00
restrain  dihedral      971    972    986    987    175.00   185.00
restrain  dihedral      987    988   1002   1003    175.00   185.00
restrain  dihedral     1003   1004   1022   1023    175.00   185.00
restrain  dihedral     1023   1024   1037   1038    175.00   185.00
restrain  dihedral     1038   1039   1056   1057    175.00   185.00
restrain  dihedral     1057   1058   1063   1064    175.00   185.00
restrain  dihedral     1064   1065   1079   1080    175.00   185.00
restrain  dihedral     1080   1081   1091   1092    175.00   185.00
restrain  dihedral     1092   1093   1111   1112    175.00   185.00
restrain  dihedral     1112   1113   1121   1122    175.00   185.00
restrain  dihedral     1122   1123   1142   1143    175.00   185.00
restrain  dihedral     1143   1144   1153   1154    175.00   185.00
restrain  dihedral     1154   1155   1172   1173    175.00   185.00
restrain  dihedral     1173   1174   1182   1183    175.00   185.00
restrain  dihedral     1183   1184   1194   1195    175.00   185.00
restrain  dihedral     1195   1196   1201   1202    175.00   185.00
restrain  dihedral     1202   1203   1215   1216    175.00   185.00
restrain  dihedral     1216   1217   1230   1231    175.00   185.00
restrain  dihedral     1231   1232   1249   1250    175.00   185.00
restrain  dihedral     1250   1251   1263   1264    175.00   185.00
restrain  dihedral     1264   1265   1270   1271    175.00   185.00
restrain  dihedral     1271   1272   1284   1285    175.00   185.00
restrain  dihedral     1285   1286   1308   1309    175.00   185.00
restrain  dihedral     1309   1310   1322   1323    175.00   185.00
restrain  dihedral     1323   1324   1339   1340    175.00   185.00
restrain  dihedral     1340   1341   1354   1355    175.00   185.00
restrain  dihedral     1355   1356   1361   1362    175.00   185.00
restrain  dihedral     1362   1363   1375   1376    175.00   185.00
restrain  dihedral     1376   1377   1397   1398    175.00   185.00
restrain  dihedral     1398   1399   1416   1417    175.00   185.00
restrain  dihedral     1417   1418   1432   1433    175.00   185.00
restrain  dihedral     1433   1434   1439   1440    175.00   185.00
restrain  dihedral     1440   1441   1461   1462    175.00   185.00
restrain  dihedral     1462   1463   1481   1482    175.00   185.00
restrain  dihedral     1482   1483   1503   1504    175.00   185.00
restrain  dihedral     1504   1505   1527   1528    175.00   185.00
restrain  dihedral     1528   1529   1543   1544    175.00   185.00
restrain  dihedral     1544   1545   1555   1556    175.00   185.00
restrain  dihedral     1556   1557   1569   1570    175.00   185.00
restrain  dihedral     1570   1571   1576   1577    175.00   185.00
restrain  dihedral     1577   1578   1598   1599    175.00   185.00
restrain  dihedral     1599   1600   1613   1614    175.00   185.00
restrain  dihedral     1614   1615   1632   1633    175.00   185.00
restrain  dihedral     1633   1634   1651   1652    175.00   185.00
restrain  dihedral     1652   1653   1661   1662    175.00   185.00
restrain  dihedral     1662   1663   1677   1678    175.00   185.00
restrain  dihedral     1678   1679   1701   1702    175.00   185.00
restrain  dihedral     1702   1703   1716   1717    175.00   185.00
restrain  dihedral     1717   1718   1735   1736    175.00   185.00
restrain  dihedral     1736   1737   1746   1747    175.00   185.00
restrain  dihedral     1747   1748   1753   1754    175.00   185.00
restrain  dihedral     1754   1755   1767   1768    175.00   185.00
restrain  dihedral     1768   1769   1782   1783    175.00   185.00
restrain  dihedral     1783   1784   1801   1802    175.00   185.00
restrain  dihedral     1802   1803   1820   1821    175.00   185.00
restrain  dihedral     1821   1822   1837   1838    175.00   185.00
restrain  dihedral     1838   1839   1851   1852    175.00   185.00
restrain  dihedral     1852   1853   1872   1873    175.00   185.00
restrain  dihedral     1873   1874   1886   1887    175.00   185.00
restrain  dihedral     1887   1888   1907   1908    175.00   185.00
restrain  dihedral     1908   1909   1922   1923    175.00   185.00
restrain  dihedral     1923   1924   1929   1930    175.00   185.00
restrain  dihedral     1930   1931   1945   1946    175.00   185.00
restrain  dihedral     1946   1947   1960   1961    175.00   185.00
restrain  dihedral     1961   1962   1970   1971    175.00   185.00
restrain  dihedral     1971   1972   1992   1993    175.00   185.00
restrain  dihedral     1993   1994   2016   2017    175.00   185.00
restrain  dihedral     2017   2018   2035   2036    175.00   185.00
restrain  dihedral     2036   2037   2055   2056    175.00   185.00
restrain  dihedral     2056   2057   2077   2078    175.00   185.00
restrain  dihedral     2078   2079   2099   2100    175.00   185.00

#


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Sunday, May 5, 2024 7:52:01 AM GMT (wattos1)