Secondary structure calculation program - copyright by David Keith Smith, 1989
1g6zA.pdb
1G6Z TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 70
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 -2 ILE I 0 0 999.9 -61.9 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 11
2 A -1 SER S + 0 0 -148.2 -44.8 -179.9 39.3 999.9 65.3 0 0.0 0 0.0 0 0.0 0 0.0 3 8
3 A 2 SER S - 0 0 -121.4 140.1 -179.9 -144.3 60.9 161.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
4 A 3 PRO P + 0 0 -91.0 34.4 179.9 133.2 57.3 94.3 0 0.0 0 0.0 0 0.0 0 0.0 5 7
5 A 4 LYS K S S S- 0 0 -80.8 166.0 179.4 -89.6 75.1 109.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
6 A 5 GLN Q S S S- 0 0 -35.8 -73.9 179.6 -69.8 82.4 26.3 0 0.0 0 0.0 0 0.0 0 0.0 4 12
7 A 6 GLU E - 0 0 166.9 114.9 180.0 -125.0 42.9 116.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
8 A 7 GLU E S S S- 0 0 -52.0 -169.8 179.9 -18.2 80.0 73.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
9 A 8 TYR Y S S S- 0 0 -39.5 95.9 179.8 -157.6 72.5 95.0 0 0.0 11 -1.2 0 0.0 0 0.0 6 19
10 A 9 GLU E - 0 0 -86.7 94.6 179.9 -70.9 46.4 134.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23
11 A 10 VAL V - 0 0 47.0 -173.7 178.5 -96.2 62.4 79.4 9 -1.2 0 0.0 0 0.0 0 0.0 9 29
12 A 11 GLU E - 0 0 -121.0 -165.7 -179.6 -98.1 30.5 116.3 31 -0.5 0 0.0 0 0.0 0 0.0 10 36
13 A 12 ARG R S S S- 0 0 -126.6 85.2 -177.7 -13.9 94.3 140.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
14 A 13 ILE I - 0 0 88.8 111.7 -179.8 -167.1 55.0 45.9 0 0.0 0 0.0 0 0.0 0 0.0 13 45
15 A 14 VAL V S S S- 0 0 -99.9 -20.0 179.9 -7.0 70.2 49.5 29 -3.5 0 0.0 0 0.0 0 0.0 9 39
16 A 15 ASP D E E AA - 29 0 -165.3 170.2 -178.0 -147.5 60.1 166.5 29 -1.8 29 -2.5 0 0.0 0 0.0 7 41
17 A 16 GLU E E E AA - 28 0 -152.7 146.8 177.4 -145.3 7.7 172.7 0 0.0 19 -0.6 0 0.0 0 0.0 10 40
18 A 17 LYS K E E AA - 27 0 -117.1 116.8 178.3 -171.7 21.1 161.6 27 -2.8 27 -1.9 0 0.0 0 0.0 8 26
19 A 18 LEU L - 0 0 -92.5 179.2 177.8 -128.5 14.5 108.5 17 -0.6 0 0.0 0 0.0 0 0.0 10 24
20 A 19 ASP D t > T - 0 0 -119.7 -177.0 178.4 -86.7 38.4 126.9 24 -1.9 23 -2.4 0 0.0 0 0.0 8 15
21 A 20 ARG R T T 3 TS+ 0 0 -66.7 -9.0 179.2 68.4 126.3 51.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
22 A 21 ASN N T T 3 TS- 0 0 -84.5 -8.0 -179.8 -121.5 113.6 59.4 0 0.0 0 0.0 0 0.0 0 0.0 5 12
23 A 22 GLY G S t < TS+ 0 0 78.2 2.9 -180.0 110.9 79.5 61.2 20 -2.4 0 0.0 0 0.0 0 0.0 7 15
24 A 23 ALA A S S S- 0 0 -97.7 -176.5 -178.5 -83.6 73.8 106.3 0 0.0 20 -1.9 0 0.0 0 0.0 7 20
25 A 24 VAL V + 0 0 -79.8 -176.6 179.1 160.5 40.0 96.2 0 0.0 0 0.0 0 0.0 0 0.0 10 29
26 A 25 LYS K + 0 0 -170.7 -42.4 -179.7 7.3 68.3 82.4 0 0.0 0 0.0 0 0.0 0 0.0 10 25
27 A 26 LEU L E E AA - 18 0 -151.9 161.0 179.1 -150.6 57.8 168.2 18 -1.9 18 -2.8 0 0.0 0 0.0 11 30
28 A 27 TYR Y E E AAB - 17 43 -137.7 153.1 177.6 -135.0 11.9 168.5 43 -1.8 43 -2.4 0 0.0 0 0.0 14 36
29 A 28 ARG R E E AAB - 16 42 -110.1 128.6 180.0 -168.7 18.1 157.2 16 -2.5 15 -3.5 0 0.0 16 -1.8 12 35
30 A 29 ILE I E E A B - 0 41 -120.7 119.0 179.2 -155.7 6.6 166.0 41 -2.4 41 -1.5 0 0.0 0 0.0 13 38
31 A 30 ARG R + 0 0 -90.4 158.9 179.5 173.7 15.1 120.3 0 0.0 12 -0.5 0 0.0 0 0.0 11 29
32 A 31 TRP W t > >T + 0 0 -166.7 84.7 179.6 152.2 15.7 116.7 0 0.0 36 -1.0 0 0.0 37 -0.9 13 26
33 A 32 LEU L T T 4 5TS+ 0 0 -83.7 -43.4 179.6 61.8 75.1 27.2 0 0.0 0 0.0 0 0.0 0 0.0 10 21
34 A 33 ASN N T T 4 5TS+ 0 0 -49.2 -40.2 -179.6 41.5 112.2 29.1 0 0.0 0 0.0 0 0.0 0 0.0 8 22
35 A 34 TYR Y T T 4 5TS- 0 0 -71.4 -84.5 -178.8 -5.2 143.1 11.2 0 0.0 0 0.0 0 0.0 0 0.0 7 20
36 A 35 SER S T T < 5TS- 0 0 -87.2 -22.7 179.4 -146.6 79.6 45.2 32 -1.0 0 0.0 0 0.0 0 0.0 7 16
37 A 36 SER S S t T - 0 0 -74.5 163.2 -178.9 -113.3 28.2 105.9 0 0.0 47 -0.7 0 0.0 0 0.0 9 29
45 A 44 PRO P G G > TS+ 0 0 -61.2 -48.2 -178.2 65.7 109.1 26.5 0 0.0 48 -2.1 0 0.0 0 0.0 10 32
46 A 45 GLU E G G > TS+ 0 0 -49.5 -27.9 179.7 54.7 99.3 41.0 0 0.0 49 -0.6 0 0.0 0 0.0 5 22
47 A 46 ASN N G G < TS+ 0 0 -79.2 -23.4 179.6 70.5 93.2 42.8 44 -0.7 0 0.0 0 0.0 0 0.0 7 23
48 A 47 LEU L G G < T + 0 0 -82.4 28.8 177.9 114.6 61.3 86.2 45 -2.1 0 0.0 0 0.0 0 0.0 9 29
49 A 48 SER S S g < TS+ 0 0 -85.6 27.1 179.3 35.8 86.1 86.7 46 -0.6 0 0.0 0 0.0 0 0.0 7 21
50 A 49 GLY G S S S+ 0 0 -150.1 -14.4 179.0 81.5 94.7 70.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
51 A 50 CYS C h > T + 0 0 -88.8 30.7 -179.5 144.6 50.9 94.2 0 0.0 55 -3.5 0 0.0 0 0.0 7 25
52 A 51 SER S H H > TS+ 0 0 -37.8 -44.5 178.9 46.0 73.6 34.2 0 0.0 56 -1.5 0 0.0 0 0.0 8 20
53 A 52 ALA A H H > TS+ 0 0 -66.2 -54.1 179.7 46.4 114.1 14.7 0 0.0 57 -2.0 0 0.0 0 0.0 7 22
54 A 53 VAL V H H > TS+ 0 0 -53.5 -52.1 178.4 47.5 114.2 18.8 0 0.0 58 -2.2 0 0.0 0 0.0 10 33
55 A 54 LEU L H H X TS+ 0 0 -57.6 -33.8 -179.2 60.5 108.1 31.8 51 -3.5 59 -2.9 0 0.0 0 0.0 11 34
56 A 55 ALA A H H X TS+ 0 0 -63.4 -43.8 -179.6 44.7 104.2 26.5 52 -1.5 60 -2.2 0 0.0 0 0.0 9 24
57 A 56 GLU E H H X TS+ 0 0 -68.0 -39.6 180.0 53.0 113.9 22.1 53 -2.0 61 -1.5 0 0.0 0 0.0 10 29
58 A 57 TRP W H H X > TS+ 0 0 -57.0 -59.3 179.5 45.7 109.6 13.1 54 -2.2 62 -2.7 0 0.0 61 -1.0 10 35
59 A 58 LYS K H H X 3 TS+ 0 0 -49.1 -53.7 179.3 51.4 112.2 19.7 55 -2.9 63 -0.8 0 0.0 0 0.0 8 33
60 A 59 ARG R H H < 3 TS+ 0 0 -53.0 -29.9 -179.1 42.4 117.0 35.5 56 -2.2 0 0.0 0 0.0 0 0.0 8 24
61 A 60 ARG R H H X < TS+ 0 0 -88.5 -27.2 -179.4 82.0 91.7 43.6 57 -1.5 65 -2.0 58 -1.0 0 0.0 8 24
62 A 61 LYS K H H < >TS+ 0 0 -48.8 -29.2 -179.7 53.3 93.2 37.7 58 -2.7 67 -0.5 0 0.0 0 0.0 9 30
63 A 62 ARG R T h < 5TS+ 0 0 -71.8 -51.0 -178.9 37.6 114.2 20.0 59 -0.8 0 0.0 0 0.0 0 0.0 10 19
64 A 63 ARG R T T 4 5TS+ 0 0 -65.6 -65.2 -179.2 79.6 99.1 7.2 0 0.0 0 0.0 0 0.0 0 0.0 7 17
65 A 64 LEU L T T < 5TS- 0 0 -50.6 122.9 179.8 -27.1 124.4 103.4 61 -2.0 67 -2.9 0 0.0 0 0.0 6 19
66 A 65 LYS K T T 5TS- 0 0 69.0 -71.3 179.6 -143.5 87.9 112.6 0 0.0 0 0.0 0 0.0 0 0.0 6 16
67 A 66 GLY G t 5555< >5555< 5-turns
3-turns >33< >>><<< >33< 3-turns
bridge-2 BBB bridge-2
bridge-1 AAA AAA BBB bridge-1
sheets AAA AAAA AAA sheets
4-turns >444< >>>>XXXXX