Project name: 19ce8a933f926ae [mutate: PA1686R]

Status: done

submitted: 2018-06-27 17:05:20, status changed: 2018-06-27 17:32:06
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Chain sequence(s) A: EFDTPTQQLIQDIKENCLNSDVVEQIYKRNPILRYTHHPLHSPLLPLPYGDINLNLLKDKGYTTLQDEAIKIFNSLQQLESMSDPIPIIQGILQTGHDLRPLRDELYCQLIKQTNKVPHPGSVGNLYSWQILTCLSCTFLPSRGILKYLKFHLKRIREQFPGSEMEKYALFTYESLKKTKCREFVPSRDEIEALIHRQEMTSTVYCHGGGSCKITINSHTTAGEVVEKLIRGLAMEDSRNMFALFEYNGHVDKAIESRTVVADVLAKFEKLAATSEVGDLPWKFYFKLYCFLDTDNVPKDSVEFAFMFEQAHEAVIHGHHPAPEENLQVLAALRLQYLQGDYTLHAAIPPLEEVYSLQRLKARDMWIKEEVSSARASIIDKWRKFQGMNQEQAMAKYMALIKEWPGYGSTLFDVECKFPQELWLGVSADAVSVYKRGEGRPLEVFQYEHILSFGAPLANTYKIVVDERELLFETSEVVDVAKLMKAYISMIVKKRYST
B: HKPTEDPASVYEQDDLSEQMASLEGLMKQLNAITGS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA1686R
Energy difference between WT (input) and mutated protein (by FoldX) 13.4914 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.8949
Maximal score value
1.4188
Average score
-1.0047
Total score value
-536.5149

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1501 E A -1.7109
1502 F A 0.0111
1503 D A -1.8243
1504 T A -1.2108
1505 P A -1.0942
1506 T A 0.0000
1507 Q A -1.7029
1508 Q A -2.3221
1509 L A 0.0000
1510 I A 0.0000
1511 Q A -2.8797
1512 D A -2.3373
1513 I A 0.0000
1514 K A -3.1681
1515 E A -3.0107
1516 N A -1.7800
1517 C A -1.0331
1518 L A 0.3467
1519 N A -1.1276
1520 S A -1.4146
1521 D A -2.2934
1522 V A -1.3263
1523 V A 0.0000
1524 E A -2.7304
1525 Q A -2.4095
1526 I A -1.8393
1527 Y A 0.0000
1528 K A -3.1733
1529 R A -2.9680
1530 N A -1.6974
1531 P A -1.1446
1532 I A -0.1464
1533 L A 0.0000
1534 R A -0.8112
1535 Y A -0.6141
1536 T A -0.9857
1537 H A -1.6103
1538 H A -1.7973
1539 P A -1.5662
1540 L A 0.0000
1541 H A -1.6129
1542 S A -1.2426
1543 P A -0.8959
1544 L A 0.0000
1545 L A 0.0000
1546 P A -0.7202
1547 L A 0.0000
1548 P A -0.6062
1549 Y A -0.3352
1550 G A -1.3912
1551 D A -2.0837
1552 I A -1.0831
1553 N A -0.9436
1554 L A -0.5220
1555 N A -1.6613
1556 L A -0.8317
1557 L A 0.0000
1558 K A -3.0336
1559 D A -3.2030
1560 K A -3.1060
1561 G A -2.1460
1562 Y A -1.6044
1563 T A -1.3052
1564 T A -0.8165
1565 L A 0.0000
1566 Q A -1.8287
1567 D A -2.3967
1568 E A -1.6974
1569 A A 0.0000
1570 I A -1.6761
1571 K A -2.5268
1572 I A 0.0000
1573 F A 0.0000
1574 N A -1.9646
1575 S A 0.0000
1576 L A 0.0000
1577 Q A -1.8674
1578 Q A -1.7468
1579 L A 0.0000
1580 E A -0.9674
1581 S A -0.7687
1582 M A -0.5798
1583 S A -0.8622
1584 D A -1.7420
1585 P A -0.9941
1586 I A -1.1167
1587 P A -0.5819
1588 I A -0.2571
1589 I A 0.0000
1590 Q A -0.4132
1591 G A -0.3676
1592 I A 0.0000
1593 L A 0.0000
1594 Q A -0.4399
1595 T A -0.8799
1596 G A 0.0000
1597 H A -1.1506
1598 D A -1.1764
1599 L A 0.0000
1600 R A -2.3340
1601 P A -1.4265
1602 L A 0.0000
1603 R A -1.0774
1604 D A -0.9690
1605 E A 0.0000
1606 L A 0.0000
1607 Y A 0.0000
1608 C A 0.0000
1609 Q A 0.0000
1610 L A 0.0000
1611 I A 0.0000
1612 K A 0.0000
1613 Q A 0.0000
1614 T A 0.0000
1615 N A 0.0000
1616 K A -1.6285
1617 V A -0.8998
1618 P A -0.9400
1619 H A -1.1637
1620 P A -0.7974
1621 G A -0.3835
1622 S A 0.1521
1623 V A 1.4188
1624 G A 0.1802
1625 N A 0.0000
1626 L A 0.4915
1627 Y A 0.5042
1628 S A 0.1791
1629 W A 0.0000
1630 Q A 0.0000
1631 I A 0.0000
1632 L A 0.0000
1633 T A 0.0000
1634 C A 0.0000
1635 L A 0.0000
1636 S A 0.0000
1637 C A 0.0000
1638 T A 0.0000
1639 F A 0.0000
1640 L A -0.3212
1641 P A 0.0000
1642 S A -1.2655
1643 R A -2.4139
1644 G A -2.0139
1645 I A -1.2941
1646 L A -1.4707
1647 K A -2.5262
1648 Y A 0.0000
1649 L A 0.0000
1650 K A -1.1730
1651 F A -1.0439
1652 H A 0.0000
1653 L A 0.0000
1654 K A -1.9739
1655 R A -2.1145
1656 I A 0.0000
1657 R A -2.4089
1658 E A -3.0404
1659 Q A -2.3579
1660 F A -1.4132
1661 P A -1.4447
1662 G A -1.2499
1663 S A -1.1691
1664 E A -1.4368
1665 M A 0.0000
1666 E A 0.0000
1667 K A -1.3492
1668 Y A 0.0000
1669 A A 0.0000
1670 L A -0.3805
1671 F A -0.2907
1672 T A 0.0000
1673 Y A -0.9037
1674 E A -1.6468
1675 S A 0.0000
1676 L A 0.0000
1677 K A -2.7820
1678 K A -2.5800
1679 T A 0.0000
1680 K A -1.9288
1681 C A -0.5448
1682 R A 0.0000
1683 E A -1.7971
1684 F A -0.9028
1685 V A 0.0000
1686 R A 0.0000 mutated: PA1686R
1687 S A 0.0000
1688 R A -2.4553
1689 D A -3.0797
1690 E A 0.0000
1691 I A 0.0000
1692 E A -3.2112
1693 A A -2.8340
1694 L A 0.0000
1695 I A -1.3482
1696 H A -2.1517
1697 R A -2.2031
1698 Q A -2.8349
1699 E A -3.0384
1700 M A 0.0000
1701 T A -1.3139
1702 S A -0.7828
1703 T A -0.6901
1704 V A 0.0000
1705 Y A -0.2602
1706 C A -0.2747
1707 H A -0.6266
1708 G A -0.9369
1709 G A -0.9068
1710 G A -0.7358
1711 S A -0.7070
1712 C A -0.7833
1713 K A -1.6827
1714 I A 0.0000
1715 T A -1.1045
1716 I A 0.0000
1717 N A -1.3501
1718 S A 0.0000
1719 H A -0.9275
1720 T A -1.1575
1721 T A -1.4599
1722 A A 0.0000
1723 G A -2.3817
1724 E A -3.0716
1725 V A 0.0000
1726 V A -1.9583
1727 E A -3.6240
1728 K A -3.5998
1729 L A 0.0000
1730 I A -2.2068
1731 R A -3.1930
1732 G A -1.8249
1733 L A -0.5534
1734 A A -1.3161
1735 M A 0.0000
1736 E A -3.7361
1737 D A -3.2776
1738 S A -2.3962
1739 R A -2.6340
1740 N A 0.0000
1741 M A -0.0091
1742 F A 0.0000
1743 A A 0.0000
1744 L A 0.0000
1745 F A 0.0000
1746 E A 0.0000
1747 Y A -0.3756
1748 N A 0.0000
1749 G A -0.5545
1750 H A -1.0086
1751 V A -0.1434
1752 D A -1.2794
1753 K A -1.4504
1754 A A -0.9640
1755 I A 0.0000
1756 E A -2.2038
1757 S A -2.0592
1758 R A -2.6038
1759 T A -1.5115
1760 V A -1.0410
1761 V A 0.0000
1762 A A 0.0000
1763 D A -0.4273
1764 V A 0.0000
1765 L A -0.4273
1766 A A 0.0000
1767 K A -0.7470
1768 F A 0.0000
1769 E A -1.2092
1770 K A -0.9008
1771 L A -0.1771
1772 A A -0.4835
1773 A A -0.4129
1774 T A -0.5077
1775 S A -0.7313
1776 E A -1.2682
1777 V A 0.5939
1778 G A -0.4817
1779 D A -0.6136
1780 L A 0.4614
1781 P A -0.1089
1782 W A 0.0419
1783 K A -0.2102
1784 F A 0.0000
1785 Y A -0.0457
1786 F A 0.0000
1787 K A 0.0000
1788 L A 0.0000
1789 Y A 0.3089
1790 C A 0.0000
1791 F A -0.1205
1792 L A -0.7043
1793 D A -1.3859
1794 T A -1.5627
1795 D A -2.6541
1796 N A -2.6303
1797 V A -1.9760
1798 P A -1.9708
1799 K A -3.2334
1800 D A -2.8186
1801 S A -1.0349
1802 V A 0.2031
1803 E A 0.0000
1804 F A 0.0000
1805 A A -0.5665
1806 F A 0.1624
1807 M A 0.0000
1808 F A 0.0000
1809 E A -0.5398
1810 Q A -0.4196
1811 A A 0.0000
1812 H A 0.0000
1813 E A -0.9898
1814 A A -0.6440
1815 V A 0.0000
1816 I A -1.2906
1817 H A -1.9394
1818 G A -1.6256
1819 H A -1.1248
1820 H A 0.0000
1821 P A -1.3347
1822 A A -1.7337
1823 P A -2.0379
1824 E A -3.1000
1825 E A -3.0160
1826 N A -1.9537
1827 L A -1.2464
1828 Q A 0.0000
1829 V A -0.7482
1830 L A 0.0000
1831 A A 0.0000
1832 A A 0.0000
1833 L A 0.0000
1834 R A 0.0000
1835 L A 0.0000
1836 Q A 0.0000
1837 Y A -0.8679
1838 L A 0.2764
1839 Q A -0.7295
1840 G A -1.6567
1841 D A -2.7222
1842 Y A -1.7082
1843 T A -0.3561
1844 L A 0.7390
1845 H A -0.1569
1846 A A -0.1609
1847 A A 0.0867
1848 I A 0.0585
1849 P A -0.6807
1850 P A -1.2465
1851 L A 0.0000
1852 E A -2.8869
1853 E A -2.7750
1854 V A 0.0000
1855 Y A 0.0000
1856 S A -2.0946
1857 L A -2.0666
1858 Q A -3.0715
1859 R A -3.4981
1860 L A -2.6457
1861 K A -3.4497
1862 A A -2.4738
1863 R A -2.7471
1910 D A -1.9201
1911 M A -0.5606
1912 W A -1.2369
1913 I A -2.1713
1914 K A -2.9622
1915 E A -3.2219
1916 E A -2.7132
1917 V A -1.9722
1918 S A -2.1270
1919 S A -1.8148
1920 A A 0.0000
1921 R A -2.0261
1922 A A -1.0696
1923 S A -1.1827
1924 I A 0.0000
1925 I A -0.9624
1926 D A -1.7532
1927 K A -1.9804
1928 W A 0.0000
1929 R A -3.0154
1930 K A -3.1619
1931 F A -2.3107
1932 Q A -2.9494
1933 G A -2.1950
1934 M A -2.2946
1935 N A -2.8029
1936 Q A -2.7351
1937 E A -3.8949
1938 Q A -3.1314
1939 A A 0.0000
1940 M A 0.0000
1941 A A -1.9835
1942 K A -1.5250
1943 Y A 0.0000
1944 M A 0.0000
1945 A A -0.8986
1946 L A -0.6282
1947 I A 0.0000
1948 K A -1.6493
1949 E A -1.9648
1950 W A -1.2291
1951 P A -1.0711
1952 G A -0.7564
1953 Y A -0.4005
1954 G A 0.0000
1955 S A -0.1538
1956 T A 0.0634
1957 L A -0.3441
1958 F A -0.9885
1959 D A -2.4644
1960 V A 0.0000
1961 E A -2.4564
1962 C A -1.4691
1963 K A -2.0817
1967 F A 0.7140
1968 P A -0.7024
1969 Q A -2.1098
1970 E A -2.5351
1971 L A 0.0000
1972 W A 0.0000
1973 L A 0.0000
1974 G A 0.0000
1975 V A 0.0000
1976 S A -0.5419
1977 A A -0.7822
1978 D A -1.7543
1979 A A -0.9888
1980 V A 0.0000
1981 S A 0.0000
1982 V A 0.0000
1983 Y A 0.0000
1984 K A -2.1327
1985 R A -2.2882
1986 G A -2.1596
1987 E A -2.4142
1988 G A -1.9549
1989 R A -2.3848
1990 P A -0.8620
1991 L A 0.2087
1992 E A 0.4130
1993 V A 1.2486
1994 F A 0.0000
1995 Q A -1.4356
1996 Y A 0.0000
1997 E A -2.2034
1998 H A -1.6160
1999 I A 0.0000
2000 L A 0.0430
2001 S A -0.1580
2002 F A 0.0000
2003 G A -0.1745
2004 A A -0.0454
2005 P A 0.3045
2006 L A 0.8918
2007 A A -0.0589
2008 N A -1.2307
2009 T A 0.0000
2010 Y A 0.0000
2011 K A -0.6352
2012 I A 0.0000
2013 V A -1.2470
2014 V A -1.9649
2015 D A -3.2601
2016 E A -3.7226
2017 R A -3.8422
2018 E A -3.0815
2019 L A -0.8581
2020 L A -0.5084
2021 F A 0.0000
2022 E A -2.3026
2023 T A 0.0000
2024 S A -1.3539
2025 E A -1.4455
2026 V A 0.0000
2027 V A 0.2878
2028 D A -0.7843
2029 V A 0.0000
2030 A A 0.0000
2031 K A -0.6550
2032 L A 0.0000
2033 M A 0.0000
2034 K A -0.8878
2035 A A -0.0911
2036 Y A 0.0000
2037 I A 0.0000
2038 S A -0.7366
2039 M A -0.8876
2040 I A 0.0000
2041 V A 0.0000
2042 K A -1.9421
2043 K A -1.9962
2044 R A -1.1155
2045 Y A 0.1736
2046 S A -0.8273
2047 T A -0.8189
1408 H B -1.9380
1409 K B -2.5775
1410 P B -1.7483
1411 T B -1.8423
1412 E B -2.6800
1413 D B -2.0141
1414 P B -0.9754
1415 A B -0.5686
1416 S B -0.9434
1417 V B -0.4619
1418 Y B -0.0479
1419 E B -1.9080
1420 Q B -2.4402
1421 D B -3.5232
1422 D B -2.9292
1423 L B -0.9187
1424 S B -1.4380
1425 E B -3.0710
1426 Q B -2.3145
1427 M B 0.0000
1428 A B -1.2259
1429 S B -1.3400
1430 L B 0.0000
1431 E B -2.0599
1432 G B -1.4326
1433 L B 0.0000
1434 M B -1.6694
1435 K B -2.5703
1436 Q B -1.9184
1437 L B 0.0000
1438 N B -1.1435
1439 A B -0.8323
1440 I B -0.3563
1441 T B -0.3317
1442 G B -0.6990
1443 S B -0.7138

 

Laboratory of Theory of Biopolymers 2015