Bioinformatics of the Factor VIII model structure - A3 Domain

Bioinformatics on the Factor VIII model structure - A3 Domain
(F1691-L2025)

The secondary structure, accessible area, and fractional sidechain solvent accessibility for each residue in the factor VIII A1 domain has been calculated. In the second column, secondary structure is given according to conventional assignments: sheet (beta-pleated sheet), helix (alpha-helix), turn (beta-turn) or coil (random coil). The third column gives the accessible area of the side chain in Angstroms squared, and the final column gives the fraction of sidechain surface area which is accessible to a 1.4 Angstrom squared probe, rolled over the model. A value of 0 = inaccessible, 1 = totally accessible.

Residue Number Secondary Structure Accessible Area (A**2) Fractional Accessibility
PHE 1691 Coil 52.61 0.217
GLN 1692 Coil 40.468 0.204
LYS 1693 Coil 159.294 0.667
LYS 1694 Sheet S38 122.134 0.55
THR 1695 Sheet S38 117.601 0.674
ARG 1696 Sheet S38 38.367 0.142
HIS 1697 Sheet S38 119.257 0.579
TYR 1698 Sheet S38 28.542 0.115
PHE 1699 Sheet S38 46.904 0.191
ILE 1700 Sheet S38 0.0 0.0
ALA 1701 Sheet S38 0.0 0.0
ALA 1702 Sheet S38 0.0 0.0
VAL 1703 Sheet S38 34.962 0.219
GLU 1704 Sheet S38 87.454 0.41
ARG 1705 Coil 94.029 0.354
LEU 1706 Coil 195.094 0.929
TRP 1707 Coil 78.43 0.28
ASP 1708 Coil 68.685 0.424
TYR 1709 Coil 1.584 0.006
GLY 1710 Coil 26.942 0.325
MET 1711 Coil 83.798 0.391
SER 1712 Coil 109.952 0.862
SER 1713 Coil 26.84 0.206
SER 1714 Coil 49.831 0.399
PRO 1715 Coil 52.64 0.291
HIS 1716 Coil 30.443 0.147
VAL 1717 Coil 43.059 0.251
LEU 1718 Coil 81.47 0.402
ASN 1719 Coil 24.69 0.088
ASN 1720 Coil 87.504 0.535
ARG 1721 Coil 63.049 0.258
ALA 1722 Coil 96.041 0.767
GLN 1723 Coil 168.811 0.804
SER 1724 Coil 65.502 0.48
GLY 1725 Coil 81.44 0.777
SER 1726 Coil 69.21 0.539
VAL 1727 Coil 98.85 0.527
PRO 1728 Coil 98.04 0.612
GLN 1729 Coil 32.04 0.162
PHE 1730 Coil 23.831 0.106
LYS 1731 Coil 4.67 0.02
LYS 1732 Coil 11.412 0.049
VAL 1733 Sheet S39 1.256 0.007
VAL 1734 Sheet S39 1.158 0.007
PHE 1735 Sheet S39 0.0 0.0
GLN 1736 Sheet S39 45.013 0.228
GLU 1737 Sheet S39 33.243 0.17
PHE 1738 Coil 30.312 0.127
THR 1739 Coil 73.278 0.424
ASP 1740 Coil 61.722 0.389
GLY 1741 Turn T40 53.038 0.487
SER 1742 Turn T40 67.057 0.494
PHE 1743 Coil 13.57 0.059
THR 1744 Coil 104.962 0.669
GLN 1745 Coil 124.877 0.613
PRO 1746 Coil 80.656 0.535
LEU 1747 Coil 86.672 0.448
TYR 1748 Coil 200.008 0.833
ARG 1749 Coil 96.685 0.363
GLY 1750 Coil 21.102 0.216
GLU 1751 Coil 164.348 0.797
LEU 1752 Coil 52.969 0.261
ASN 1753 Coil 18.25 0.102
GLU 1754 Coil 77.754 0.406
HIS 1755 Coil 2.702 0.013
LEU 1756 Coil 6.561 0.032
GLY 1757 Coil 2.935 0.031
LEU 1758 Coil 0.965 0.005
LEU 1759 Coil 1.812 0.009
GLY 1760 Coil 0.233 0.003
PRO 1761 Coil 13.391 0.084
TYR 1762 Coil 20.127 0.078
ILE 1763 Sheet S40 2.123 0.011
ARG 1764 Sheet S40 43.942 0.177
ALA 1765 Sheet S40 0.537 0.005
GLU 1766 Sheet S40 12.674 0.063
VAL 1767 Coil 9.038 0.048
GLU 1768 Coil 18.682 0.094
ASP 1769 Sheet S41 0.0 0.0
ASN 1770 Sheet S41 24.034 0.133
ILE 1771 Sheet S41 0.0 0.0
MET 1772 Sheet S41 96.826 0.432
VAL 1773 Sheet S41 15.705 0.093
THR 1774 Sheet S41 46.251 0.279
PHE 1775 Sheet S41 19.801 0.089
ARG 1776 Sheet S41 32.573 0.129
ASN 1777 Coil 0.0 0.0
GLN 1778 Coil 60.053 0.284
ALA 1779 Coil 1.351 0.011
SER 1780 Coil 81.733 0.592
ARG 1781 Coil 45.744 0.209
PRO 1782 Coil 52.776 0.318
TYR 1783 Coil 0.0 0.0
SER 1784 Coil 0.579 0.004
PHE 1785 Coil 0.386 0.002
TYR 1786 Sheet S42 5.982 0.025
SER 1787 Sheet S42 0.233 0.002
SER 1788 Coil 0.193 0.002
LEU 1789 Coil 6.057 0.028
ILE 1790 Coil 10.552 0.056
SER 1791 Coil 5.37 0.038
TYR 1792 Coil 29.251 0.121
GLU 1793 Coil 105.594 0.523
GLU 1794 Coil 82.804 0.42
ASP 1795 Coil 49.762 0.284
GLN 1796 Coil 110.879 0.538
ARG 1797 Coil 68.733 0.281
GLN 1798 Coil 15.942 0.079
GLY 1799 Coil 32.696 0.366
ALA 1800 Coil 6.058 0.05
GLU 1801 Coil 86.89 0.426
PRO 1802 Coil 29.309 0.202
ARG 1803 Coil 154.778 0.627
LYS 1804 Coil 180.767 0.744
ASN 1805 Coil 103.366 0.585
PHE 1806 Coil 135.309 0.567
VAL 1807 Coil 42.112 0.24
LYS 1808 Coil 138.398 0.583
PRO 1809 Coil 56.674 0.39
ASN 1810 Coil 89.145 0.537
GLU 1811 Turn T41 173.847 0.803
THR 1812 Turn T41 136.751 0.838
LYS 1813 Turn T41 52.545 0.221
THR 1814 Coil 83.513 0.531
TYR 1815 Coil 119.377 0.463
PHE 1816 Coil 62.567 0.266
TRP 1817 Sheet S43 16.157 0.059
LYS 1818 Sheet S43 55.162 0.227
VAL 1819 Sheet S43 8.298 0.048
GLN 1820 Coil 30.037 0.149
HIS 1821 Turn T42 110.171 0.496
HIS 1822 Turn T42 63.553 0.294
MET 1823 Coil 0.318 0.001
ALA 1824 Coil 30.165 0.24
PRO 1825 Coil 13.462 0.086
THR 1826 Coil 22.024 0.134
LYS 1827 Turn T43 158.924 0.663
ASP 1828 Turn T43 19.15 0.107
GLU 1829 Coil 17.878 0.091
PHE 1830 Coil 10.744 0.044
ASP 1831 Coil 42.667 0.239
CYS 1832 Coil 0.511 0.003
LYS 1833 Sheet S44 4.68 0.021
ALA 1834 Sheet S44 4.965 0.041
TRP 1835 Sheet S44 9.06 0.034
ALA 1836 Sheet S44 0.193 0.002
TYR 1837 Sheet S44 0.0 0.0
PHE 1838 Sheet S44 0.537 0.002
SER 1839 Coil 0.0 0.0
ASP 1840 Coil 36.765 0.221
VAL 1841 Turn T44 85.156 0.448
ASP 1842 Turn T44 62.255 0.366
LEU 1843 Turn T44 10.954 0.052
GLU 1844 Turn T44 16.609 0.085
LYS 1845 Helix L 70.282 0.297
ASP 1846 Helix L 0.0 0.0
VAL 1847 Helix L 5.21 0.029
HIS 1848 Helix L 6.369 0.029
SER 1849 Helix L 0.0 0.0
GLY 1850 Coil 0.193 0.002
LEU 1851 Coil 0.0 0.0
ILE 1852 Sheet S45 1.737 0.009
GLY 1853 Sheet S45 0.269 0.003
PRO 1854 Sheet S45 1.351 0.009
LEU 1855 Sheet S45 6.561 0.032
LEU 1856 Sheet S45 0.386 0.002
VAL 1857 Sheet S45 0.462 0.003
CYS 1858 Sheet S45 0.318 0.002
HIS 1859 Coil 86.489 0.404
THR 1860 Coil 70.603 0.415
ASN 1861 Coil 130.907 0.748
THR 1862 Coil 28.171 0.19
LEU 1863 Coil 13.461 0.065
ASN 1864 Coil 115.204 0.666
PRO 1865 Coil 106.677 0.663
ALA 1866 Turn T45 68.296 0.526
HIS 1867 Turn T45 74.532 0.33
GLY 1868 Helix M 4.00 0.032
ARG 1869 Helix M 177.45 0.651
GLN 1870 Helix M 54.138 0.278
VAL 1871 Helix M 0.0 0.0
THR 1872 Helix M 18.67 0.112
VAL 1873 Turn T46 20.799 0.114
GLN 1874 Turn T46 0.0 0.0
GLU 1875 Turn T46 1.041 0.006
PHE 1876 Turn T46 10.42 0.031
ALA 1877 Turn T46 0.0 0.0
LEU 1878 Coil 1.584 0.008
PHE 1879 Sheet S46 2.543 0.011
PHE 1880 Sheet S46 0.0 0.0
THR 1881 Sheet S46 4.193 0.027
ILE 1882 Sheet S46 3.046 0.016
PHE 1883 Sheet S46 5.415 0.022
ASP 1884 Coil 2.294 0.013
GLU 1885 Coil 0.386 0.002
THR 1886 Coil 26.73 0.173
LYS 1887 Coil 80.486 0.335
SER 1888 Coil 1.737 0.013
TRP 1889 Coil 87.542 0.308
TYR 1890 Coil 19.163 0.08
PHE 1891 Helix N 63.192 0.276
THR 1892 Helix N 80.591 0.487
GLU 1893 Helix N 76.807 0.384
ASN 1894 Helix N 3.533 0.02
MET 1895 Helix N 6.637 0.033
GLU 1896 Helix N 138.476 0.658
ARG 1897 Helix N 160.247 0.587
ASN 1898 Coil 70.686 0.4
CYSH 1899 Coil 42.22 0.288
ARG 1900 Coil 235.109 0.863
ALA 1901 Coil 51.883 0.456
PRO 1902 Helix O 72.911 0.429
CYSH 1903 Helix O 147.506 0.896
ASN 1904 Helix O 121.79 0.732
ILE 1905 Coil 47.631 0.235
GLN 1906 Coil 113.646 0.599
MET 1907 Coil 60.549 0.267
GLU 1908 Coil 143.759 0.701
ASP 1909 Coil 48.393 0.296
PRO 1910 Helix P 112.286 0.671
THR 1911 Helix P 107.891 0.698
PHE 1912 Helix P 17.665 0.076
LYS 1913 Helix P 78.584 0.32
GLU 1914 Helix P 106.149 0.528
ASN 1915 Helix P 6.183 0.035
TYR 1916 Coil 6.285 0.024
ARG 1917 Coil 72.883 0.281
PHE 1918 Sheet S47 5.017 0.021
HIS 1919 Sheet S47 7.729 0.036
ALA 1920 Sheet S47 0.0 0.0
ILE 1921 Sheet S47 2.316 0.011
ASN 1922 Turn T47 0.0 0.0
GLY 1923 Turn T47 0.0 0.0
TYR 1924 Coil 11.279 0.047
ILE 1925 Coil 28.0 0.142
MET 1926 Coil 41.236 0.189
ASP 1927 Coil 6.942 0.038
THR 1928 Coil 17.078 0.103
LEU 1929 Coil 4.286 0.023
PRO 1930 Coil 60.923 0.382
GLY 1931 Coil 20.428 0.192
LEU 1932 Coil 8.154 0.038
VAL 1933 Sheet S48 105.748 0.616
MET 1934 Sheet S48 20.352 0.103
ALA 1935 Coil 38.14 0.315
GLN 1936 Turn T48 21.397 0.104
ASP 1937 Turn T48 44.299 0.253
GLN 1938 Coil 111.698 0.553
ARG 1939 Coil 189.145 0.685
ILE 1940 Sheet S49 10.496 0.057
ARG 1941 Sheet S49 33.784 0.128
TRP 1942 Sheet S49 2.535 0.009
TYR 1943 Sheet S49 0.0 0.0
LEU 1944 Sheet S49 0.193 0.001
LEU 1945 Sheet S49 3.666 0.017
SER 1946 Sheet S49 0.0 0.0
MET 1947 Coil 2.985 0.014
GLY 1948 Coil 1.427 0.015
SER 1949 Coil 2.671 0.019
ASN 1950 Turn T49 12.843 0.071
GLU 1951 Turn T49 54.213 0.287
ASN 1952 Coil 0.0 0.0
ILE 1953 Coil 3.473 0.018
HIS 1954 Sheet S50 2.698 0.012
SER 1955 Sheet S50 0.965 0.007
ILE 1956 Sheet S50 0.0 0.0
HIS 1957 Sheet S50 0.806 0.004
PHE 1958 Sheet S50 2.244 0.009
SER 1959 Coil 0.0 0.0
GLY 1960 Coil 1.434 0.014
HIS 1961 Coil 8.286 0.041
VAL 1962 Coil 13.799 0.082
PHE 1963 Sheet S51 0.0 0.0
THR 1964 Sheet S51 13.637 0.087
VAL 1965 Sheet S51 2.157 0.013
ARG 1966 Coil 38.707 0.148
LYS 1967 Turn T50 79.018 0.32
LYS 1968 Turn T50 184.271 0.764
GLU 1969 Turn T50 103.43 0.52
GLU 1970 Coil 18.938 0.095
TYR 1971 Sheet S52 49.432 0.206
LYS 1972 Sheet S52 4.436 0.02
MET 1973 Sheet S52 20.231 0.094
ALA 1974 Coil 0.579 0.005
LEU 1975 Sheet S53 0.0 0.0
TYR 1976 Sheet S53 53.353 0.214
ASN 1977 Sheet S53 43.803 0.24
LEU 1978 Sheet S53 0.435 0.002
TYR 1979 Coil 16.512 0.065
PRO 1980 Turn T51 0.193 0.001
GLY 1981 Turn T51 3.035 0.029
VAL 1982 Coil 28.174 0.162
PHE 1983 Sheet S54 47.92 0.192
GLU 1984 Sheet S54 37.332 0.204
THR 1985 Sheet S54 9.298 0.056
VAL 1986 Sheet S54 0.0 0.0
GLU 1987 Sheet S54 49.801 0.251
MET 1988 Sheet S54 2.163 0.01
LEU 1989 Coil 59.038 0.292
PRO 1990 Coil 1.594 0.01
SER 1991 Coil 27.757 0.199
LYS 1992 Coil 19.376 0.084
ALA 1993 Coil 18.405 0.144
GLY 1994 Sheet S55 4.438 0.045
ILE 1995 Sheet S55 15.245 0.076
TRP 1996 Sheet S55 0.269 0.001
ARG 1997 Sheet S55 4.298 0.017
VAL 1998 Sheet S55 1.93 0.011
GLU 1999 Sheet S55 0.467 0.003
CYSH 2000 Coil 0.0 0.0
LEU 2001 Coil 3.285 0.016
ILE 2002 Coil 1.737 0.009
GLY 2003 Helix Q 1.737 0.019
GLU 2004 Helix Q 47.609 0.228
HIS 2005 Helix Q 0.0 0.0
LEU 2006 Helix Q 10.835 0.052
HIS 2007 Helix Q 28.633 0.132
ALA 2008 Helix Q 30.909 0.238
GLY 2009 Coil 0.386 0.004
MET 2010 Coil 0.0 0.0
SER 2011 Sheet S56 4.467 0.037
THR 2012 Sheet S56 1.158 0.007
LEU 2013 Sheet S56 22.007 0.12
PHE 2014 Sheet S56 2.081 0.009
LEU 2015 Sheet S56 68.331 0.326
VAL 2016 Sheet S56 0.0 0.0
TYR 2017 Coil 119.775 0.511
SER 2018 Coil 42.512 0.336
ASN 2019 Coil 117.714 0.688
LYS 2020 Coil 215.507 0.915
CYSH 2021 Coil 57.871 0.382
GLN 2022 Coil 89.681 0.49
THR 2023 Coil 121.964 0.763
PRO 2024 Coil 100.217 0.697
LEU 2025 Coil 214.547 0.824