Secondary structure calculation program - copyright by David Keith Smith, 1989
1lddA.pdb
1LDD LIGASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 74
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 773 LYS K 0 0 999.9 -35.0 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
2 A 774 TYR Y h > T - 0 0 -110.3 171.2 -177.3 -115.7 999.9 125.3 0 0.0 6 -1.8 0 0.0 0 0.0 6 24
3 A 775 GLU E H H > TS+ 0 0 -70.9 -26.3 179.2 63.0 109.6 40.8 0 0.0 7 -3.4 0 0.0 0 0.0 6 29
4 A 776 LEU L H H > TS+ 0 0 -67.0 -40.3 179.7 46.0 106.8 19.9 0 0.0 8 -2.6 0 0.0 0 0.0 6 25
5 A 777 THR T H H > TS+ 0 0 -64.6 -44.3 178.5 46.6 114.9 20.7 0 0.0 9 -1.4 0 0.0 0 0.0 11 34
6 A 778 LEU L H H X TS+ 0 0 -61.6 -40.8 179.7 52.7 111.5 25.1 2 -1.8 10 -0.5 0 0.0 0 0.0 11 41
7 A 779 GLN Q H H < > TS+ 0 0 -61.6 -42.2 179.5 51.1 107.8 25.7 3 -3.4 10 -1.0 0 0.0 0 0.0 7 32
8 A 780 ARG R H H < 3 TS+ 0 0 -67.4 -25.7 -178.6 50.3 110.0 38.6 4 -2.6 0 0.0 0 0.0 0 0.0 8 32
9 A 781 SER S H H X > TS+ 0 0 -92.6 -0.9 -179.4 95.6 81.0 60.3 5 -1.4 13 -2.0 0 0.0 12 -0.7 11 42
10 A 782 LEU L H H X < TS+ 0 0 -55.5 -43.9 -179.9 55.2 81.0 25.6 7 -1.0 14 -2.8 6 -0.5 0 0.0 8 46
11 A 783 PRO P H H > 3 TS+ 0 0 -61.7 -29.8 179.4 47.1 109.3 34.7 0 0.0 15 -2.2 0 0.0 0 0.0 7 35
12 A 784 PHE F H H > < TS+ 0 0 -80.4 -31.6 177.1 51.5 110.5 32.7 9 -0.7 16 -2.4 0 0.0 0 0.0 10 44
13 A 785 ILE I H H X TS+ 0 0 -65.6 -45.1 179.1 46.1 113.6 20.0 9 -2.0 17 -2.3 0 0.0 0 0.0 10 55
14 A 786 GLU E H H X TS+ 0 0 -61.3 -51.3 -179.2 45.5 114.5 18.2 10 -2.8 18 -2.0 0 0.0 0 0.0 9 43
15 A 787 GLY G H H X TS+ 0 0 -58.9 -45.5 178.7 52.1 112.2 24.3 11 -2.2 19 -3.4 0 0.0 0 0.0 8 30
16 A 788 MET M H H X TS+ 0 0 -54.6 -53.2 179.8 43.0 113.8 18.1 12 -2.4 20 -2.7 0 0.0 0 0.0 10 35
17 A 789 LEU L H H X TS+ 0 0 -66.1 -28.5 179.3 52.5 114.4 38.5 13 -2.3 21 -1.2 0 0.0 0 0.0 13 38
18 A 790 THR T H H < TS+ 0 0 -73.6 -48.2 -180.0 38.6 115.3 18.9 14 -2.0 0 0.0 0 0.0 0 0.0 8 25
19 A 791 ASN N H H < TS+ 0 0 -68.3 -41.9 -175.4 28.1 129.6 24.9 15 -3.4 0 0.0 0 0.0 0 0.0 6 21
20 A 792 LEU L H H < TS- 0 0 -101.2 -9.3 -178.5 -130.5 98.1 57.5 16 -2.7 0 0.0 0 0.0 0 0.0 7 23
21 A 793 GLY G h < T - 0 0 86.2 -172.7 -177.8 -0.8 65.1 112.0 17 -1.2 0 0.0 0 0.0 0 0.0 9 26
22 A 794 ALA A S S S- 0 0 -55.6 135.4 -179.4 -168.6 72.2 101.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
23 A 795 MET M E E AA - 71 0 -130.1 154.3 177.9 -111.9 21.0 155.9 71 -2.0 71 -2.9 0 0.0 0 0.0 11 37
24 A 796 LYS K E E >AA > T - 70 0 -84.2 148.0 -178.2 -111.5 33.6 124.9 0 0.0 28 -2.4 0 0.0 27 -1.0 9 37
25 A 797 LEU L H H > 3 TS+ 0 0 -40.9 -59.6 -177.6 48.3 114.6 28.9 69 -0.9 29 -2.4 0 0.0 0 0.0 11 43
26 A 798 HIS H H H > 3 TS+ 0 0 -60.5 -28.9 178.8 50.2 111.5 38.3 0 0.0 30 -2.0 0 0.0 0 0.0 7 32
27 A 799 LYS K H H > < TS+ 0 0 -75.3 -39.0 178.3 51.1 109.4 26.4 24 -1.0 31 -2.7 0 0.0 0 0.0 8 33
28 A 800 ILE I H H X TS+ 0 0 -60.2 -42.5 -177.9 49.8 111.4 21.7 24 -2.4 32 -2.3 0 0.0 0 0.0 11 49
29 A 801 HIS H H H X TS+ 0 0 -63.8 -46.1 -180.0 46.0 111.7 21.9 25 -2.4 33 -2.0 0 0.0 0 0.0 10 46
30 A 802 SER S H H X TS+ 0 0 -64.2 -41.6 -178.6 49.8 113.6 21.7 26 -2.0 34 -0.9 0 0.0 0 0.0 8 31
31 A 803 PHE F H H X TS+ 0 0 -66.6 -36.8 178.2 52.9 107.7 31.2 27 -2.7 35 -2.5 0 0.0 0 0.0 8 38
32 A 804 LEU L H H X TS+ 0 0 -63.5 -41.6 -179.4 63.9 100.2 23.4 28 -2.3 36 -2.4 0 0.0 0 0.0 12 46
33 A 805 LYS K H H < TS+ 0 0 -53.1 -32.3 -179.8 30.5 115.1 35.1 29 -2.0 0 0.0 0 0.0 0 0.0 9 34
34 A 806 ILE I H H < TS+ 0 0 -99.9 -27.9 -179.3 45.8 122.8 39.3 30 -0.9 0 0.0 0 0.0 0 0.0 8 25
35 A 807 THR T H H < TS+ 0 0 -85.5 -35.8 179.2 79.7 91.8 29.8 31 -2.5 0 0.0 0 0.0 0 0.0 7 31
36 A 808 VAL V S h < TS- 0 0 -72.2 126.7 179.8 -102.5 98.0 125.3 32 -2.4 0 0.0 0 0.0 0 0.0 11 32
37 A 809 PRO P g > T - 0 0 -52.4 131.5 -178.2 -126.6 27.3 104.8 0 0.0 40 -2.4 0 0.0 0 0.0 7 26
38 A 810 LYS K G G > TS+ 0 0 -50.6 -30.8 -178.4 66.0 104.7 43.8 0 0.0 41 -1.1 0 0.0 0 0.0 8 22
39 A 811 ASP D G G 3 TS+ 0 0 -69.3 -18.5 -179.9 52.7 98.1 48.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
40 A 812 TRP W G G < TS- 0 0 -92.7 -3.1 179.9 -142.7 107.4 63.3 37 -2.4 0 0.0 0 0.0 0 0.0 8 25
41 A 813 GLY G g < T + 0 0 86.1 -135.4 -177.8 159.6 49.2 129.4 38 -1.1 0 0.0 0 0.0 0 0.0 10 30
42 A 814 TYR Y t > T + 0 0 98.7 -34.4 179.3 94.5 64.4 106.3 0 0.0 45 -1.6 0 0.0 0 0.0 13 38
43 A 815 ASN N T T 3 TS+ 0 0 -53.4 -25.9 179.8 51.0 83.7 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
44 A 816 ARG R T T 3 TS+ 0 0 -87.1 -19.2 -179.7 104.1 87.8 45.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
45 A 817 ILE I t < T - 0 0 -67.9 135.3 -179.5 -146.9 60.4 112.9 42 -1.6 0 0.0 0 0.0 0 0.0 10 39
46 A 818 THR T h > > T - 0 0 -97.6 162.9 -178.2 -110.2 26.0 125.7 0 0.0 50 -2.3 0 0.0 49 -0.5 7 28
47 A 819 LEU L H H > 3 TS+ 0 0 -68.1 -18.7 -179.7 55.8 118.2 38.8 0 0.0 51 -2.4 0 0.0 0 0.0 9 31
48 A 820 GLN Q H H > 3 TS+ 0 0 -83.1 -24.0 175.6 49.5 106.7 35.3 0 0.0 52 -1.7 0 0.0 0 0.0 6 25
49 A 821 GLN Q H H > < TS+ 0 0 -73.3 -42.0 179.1 48.6 113.0 24.7 46 -0.5 53 -2.1 0 0.0 0 0.0 9 34
50 A 822 LEU L H H X TS+ 0 0 -60.9 -48.1 -179.3 50.4 110.4 17.7 46 -2.3 54 -2.9 0 0.0 0 0.0 11 47
51 A 823 GLU E H H X TS+ 0 0 -57.9 -41.5 179.4 49.1 110.6 27.5 47 -2.4 55 -2.2 0 0.0 0 0.0 9 41
52 A 824 GLY G H H X TS+ 0 0 -65.6 -39.3 179.0 48.4 112.7 26.1 48 -1.7 56 -1.4 0 0.0 0 0.0 8 35
53 A 825 TYR Y H H X TS+ 0 0 -66.3 -45.3 -180.0 48.6 111.3 23.9 49 -2.1 57 -1.9 0 0.0 0 0.0 9 43
54 A 826 LEU L H H X TS+ 0 0 -63.4 -39.2 179.8 53.1 109.0 26.7 50 -2.9 58 -2.1 0 0.0 0 0.0 9 51
55 A 827 ASN N H H X TS+ 0 0 -65.2 -31.7 178.4 52.6 107.3 33.1 51 -2.2 59 -2.5 0 0.0 0 0.0 9 38
56 A 828 THR T H H X TS+ 0 0 -69.9 -37.8 180.0 48.2 109.6 26.2 52 -1.4 60 -1.9 0 0.0 0 0.0 8 28
57 A 829 LEU L H H < >TS+ 0 0 -69.6 -31.5 179.7 48.8 112.8 31.5 53 -1.9 63 -1.6 0 0.0 62 -1.2 10 35
58 A 830 ALA A H H < 5TS+ 0 0 -72.5 -37.5 179.4 55.1 107.8 28.5 54 -2.1 0 0.0 0 0.0 0 0.0 11 31
59 A 831 ASP D H H < 5TS+ 0 0 -63.8 -38.7 173.9 49.7 109.0 35.0 55 -2.5 0 0.0 0 0.0 0 0.0 8 19
60 A 832 GLU E T h < 5TS- 0 0 -72.9 -149.5 179.3 -103.0 116.9 82.4 56 -1.9 0 0.0 0 0.0 0 0.0 7 18
61 A 833 GLY G T T 5TS+ 0 0 -126.9 22.4 -177.6 101.9 95.7 79.8 0 0.0 0 0.0 0 0.0 0 0.0 8 19
62 A 834 ARG R S e > T - 0 0 104.5 101.4 -179.3 -85.9 30.4 54.3 0 0.0 70 -1.6 0 0.0 69 -1.1 8 25
67 A 839 ALA A T T 4 3 TS+ 0 0 -29.5 150.4 179.4 39.9 109.0 75.8 0 0.0 0 0.0 0 0.0 0 0.0 5 15
68 A 840 ASN N T T 4 3 TS- 0 0 86.9 -14.3 176.4 -68.1 127.7 78.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
69 A 841 GLY G T e 4 < TS+ 0 0 113.9 19.8 179.5 119.2 89.0 45.3 66 -1.1 25 -0.9 0 0.0 0 0.0 8 27
70 A 842 SER S E E 5555< 5-turns
3-turns >3><3< >33< >>3<<>33<>33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AA BB AABB bridge-1
sheets AA AA AAAA sheets
4-turns >>>>X<>XXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXX<<<< >444< 4-turns
summary hHHHHHHHHHHHHHHHHHHhSEEHHHHHHHHHHHhgGGGgtTTthHHHHHHHHHHHHHhTeEE tTTeEEEEe summary
sequence KYELTLQRSLPFIEGMLTNLGAMKLHKIHSFLKITVPKDWGYNRITLQQLEGYLNTLADEGRLKYIANGSYEIV sequence
10 20 30 40 50 60 70