Secondary structure calculation program - copyright by David Keith Smith, 1989
1g6pA.pdb
1G6P STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
Sequence length - 66
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 1 MET M 0 0 999.9 -16.8 -179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
2 A 2 ARG R e + 0 0 -164.3 145.6 179.7 149.6 999.9 164.2 0 0.0 20 -1.5 0 0.0 0 0.0 11 40
3 A 3 GLY G E E AA - 19 0 -141.7 -135.9 178.8 -74.4 42.7 110.7 46 -2.0 0 0.0 0 0.0 0 0.0 13 44
4 A 4 LYS K E E AA - 18 0 -136.0 161.7 179.6 -125.3 35.7 153.6 18 -3.6 18 -3.6 0 0.0 0 0.0 13 42
5 A 5 VAL V E E AA + 17 0 -121.9 135.7 -177.4 159.5 32.4 163.9 44 -2.9 0 0.0 0 0.0 0 0.0 15 47
6 A 6 LYS K E E A* + 0 0 -121.6 -28.5 179.7 16.2 67.4 54.5 16 -1.7 0 0.0 0 0.0 0 0.0 12 39
7 A 7 TRP W E E AA - 16 0 -156.8 134.7 177.8 -167.1 51.1 161.2 16 -2.3 16 -2.6 0 0.0 0 0.0 11 38
8 A 8 PHE F E E AA + 15 0 -121.1 126.2 177.9 162.6 19.8 167.5 0 0.0 0 0.0 0 0.0 0 0.0 13 40
9 A 9 ASP D E E AA >T + 14 0 -132.3 174.2 178.9 40.6 37.3 143.7 14 -3.8 14 -1.8 0 0.0 0 0.0 8 29
10 A 10 SER S T T 5TS- 0 0 62.6 146.9 179.7 -93.1 86.6 61.5 0 0.0 0 0.0 0 0.0 0 0.0 8 23
11 A 11 LYS K T T 5TS+ 0 0 -65.9 -16.0 178.1 40.6 117.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
12 A 12 LYS K T T 5TS- 0 0 -105.4 -137.3 -179.1 -43.7 127.1 80.1 0 0.0 14 -0.9 0 0.0 0 0.0 10 32
13 A 13 GLY G T T 5TS+ 0 0 -100.6 72.9 178.9 135.7 81.6 123.5 29 -1.0 0 0.0 0 0.0 0 0.0 16 42
14 A 14 TYR Y E E AA T - 3 0 -69.2 142.0 -179.0 -81.9 47.5 116.2 23 -0.9 22 -2.6 0 0.0 0 0.0 11 43
20 A 20 ASP D T e 3 TS- 0 0 -2.4 -91.3 179.2 -14.5 112.9 57.4 2 -1.5 0 0.0 0 0.0 0 0.0 9 31
21 A 21 GLU E T T 3 TS+ 0 0 -116.2 29.9 -178.0 80.0 126.8 94.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21
22 A 22 GLY G S t < TS- 0 0 -101.0 -111.1 -178.8 -75.5 85.5 54.2 19 -2.6 0 0.0 0 0.0 0 0.0 6 24
23 A 23 GLY G - 0 0 -132.6 -141.4 -179.3 -53.1 58.3 105.6 0 0.0 19 -0.9 0 0.0 0 0.0 7 30
24 A 24 ASP D B B B - 18 0 -119.6 145.4 179.5 -172.3 40.6 154.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
25 A 25 VAL V - 0 0 -114.3 -173.2 178.8 -123.7 17.6 117.4 17 -4.6 0 0.0 0 0.0 0 0.0 12 48
26 A 26 PHE F B B c - 58 0 -130.6 164.9 179.7 -156.0 15.8 147.1 57 -0.8 59 -2.8 0 0.0 0 0.0 11 46
27 A 27 VAL V B B A - 15 0 -148.9 145.7 -174.2 -164.0 8.9 172.8 15 -2.1 15 -1.7 0 0.0 0 0.0 15 52
28 A 28 HIS H - 0 0 -98.3 -47.5 -177.2 -92.1 52.6 29.8 0 0.0 0 0.0 0 0.0 0 0.0 11 39
29 A 29 TRP W S S S+ 0 0 146.2 -11.4 178.0 74.8 114.3 83.3 0 0.0 13 -1.0 0 0.0 0 0.0 10 33
30 A 30 SER S S S S+ 0 0 -113.1 25.6 175.5 55.1 92.9 87.6 0 0.0 0 0.0 0 0.0 0 0.0 11 33
31 A 31 ALA A S S S+ 0 0 -121.3 -29.8 176.4 45.3 109.2 54.8 0 0.0 62 -2.2 0 0.0 0 0.0 12 47
32 A 32 ILE I S S S+ 0 0 -114.8 61.6 179.9 122.7 81.1 122.9 0 0.0 0 0.0 0 0.0 0 0.0 16 50
33 A 33 GLU E + 0 0 -124.3 84.0 -179.7 138.3 32.6 142.9 0 0.0 0 0.0 0 0.0 0 0.0 10 32
34 A 34 MET M - 0 0 -123.3 175.6 -179.3 -139.0 50.3 134.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
35 A 35 GLU E S S S+ 0 0 -122.9 21.1 179.0 52.7 93.3 84.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
36 A 36 GLY G S S S- 0 0 -116.9 -61.9 178.6 -27.0 125.1 44.4 0 0.0 0 0.0 0 0.0 0 0.0 4 18
37 A 37 PHE F + 0 0 -164.3 94.6 -179.7 156.9 69.6 127.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
38 A 38 LYS K + 0 0 -126.2 130.2 179.7 101.2 28.2 170.8 0 0.0 0 0.0 0 0.0 0 0.0 11 43
39 A 39 THR T - 0 0 -172.7 -32.5 -177.8 -131.1 62.6 71.0 0 0.0 0 0.0 0 0.0 0 0.0 8 42
40 A 40 LEU L - 0 0 60.7 112.4 178.3 -143.9 1.7 30.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
41 A 41 LYS K - 0 0 -80.9 -4.6 178.4 -123.5 36.4 59.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
42 A 42 GLU E S S S+ 0 0 76.3 -0.6 179.7 63.6 99.4 64.4 0 0.0 0 0.0 0 0.0 0 0.0 11 38
43 A 43 GLY G S S S+ 0 0 -144.6 42.7 -176.3 72.2 87.8 98.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
44 A 44 GLN Q S S S- 0 0 -138.9 -162.0 -179.0 -83.2 80.0 126.6 0 0.0 5 -2.9 0 0.0 0 0.0 12 34
45 A 45 VAL V E E BB - 65 0 -119.6 132.1 -176.4 -167.8 40.2 162.7 65 -1.4 65 -2.3 0 0.0 0 0.0 12 39
46 A 46 VAL V E E BB - 64 0 -114.0 172.7 178.0 -121.7 25.6 133.0 0 0.0 3 -2.0 0 0.0 48 -0.6 14 50
47 A 47 GLU E E E BB + 63 0 -116.3 96.8 -175.0 136.8 58.2 158.0 63 -0.8 63 -1.8 0 0.0 0 0.0 12 44
48 A 48 PHE F E E BB - 62 0 -140.1 177.8 178.3 -137.8 44.4 149.3 46 -0.6 0 0.0 0 0.0 0 0.0 12 50
49 A 49 GLU E E E BB - 61 0 -132.9 158.2 -178.3 -150.3 18.5 153.8 61 -1.2 60 -1.9 0 0.0 61 -0.7 10 42
50 A 50 ILE I E E BB - 59 0 -138.7 142.1 179.7 -168.5 7.3 174.7 0 0.0 0 0.0 0 0.0 0 0.0 10 42
51 A 51 GLN Q E E BB - 58 0 -131.0 133.6 179.9 -160.8 5.7 173.3 58 -1.7 58 -1.7 0 0.0 0 0.0 8 29
52 A 52 GLU E + 0 0 -117.2 130.5 179.9 141.0 26.0 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 21
53 A 53 GLY G S S S- 0 0 -129.8 -124.7 179.6 -24.0 72.0 90.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
54 A 54 LYS K S S S+ 0 0 -69.2 -25.2 -179.9 27.9 135.2 41.1 0 0.0 0 0.0 0 0.0 0 0.0 4 8
55 A 55 LYS K S S S- 0 0 -106.1 -127.4 180.0 -49.3 112.9 72.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
56 A 56 GLY G - 0 0 -114.7 166.5 179.9 -84.3 60.4 136.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
57 A 57 PRO P + 0 0 -70.7 127.1 179.6 179.5 51.5 120.7 0 0.0 26 -0.8 0 0.0 0 0.0 10 31
58 A 58 GLN Q E E BBc - 51 26 -129.8 153.6 177.0 -98.8 34.3 160.8 51 -1.7 51 -1.7 0 0.0 0 0.0 11 45
59 A 59 ALA A E E BB + 50 0 -68.0 134.2 -179.4 173.4 35.6 116.6 26 -2.8 0 0.0 0 0.0 0 0.0 15 53
60 A 60 ALA A E E B* S+ 0 0 -113.1 -30.2 179.6 35.9 72.6 49.8 49 -1.9 0 0.0 0 0.0 0 0.0 12 40
61 A 61 HIS H E E BB S- 49 0 -129.4 117.8 -175.6 -179.1 72.8 174.9 49 -0.7 49 -1.2 0 0.0 0 0.0 11 45
62 A 62 VAL V E E BB + 48 0 -132.4 115.3 177.7 154.3 11.1 158.8 31 -2.2 0 0.0 0 0.0 0 0.0 12 54
63 A 63 LYS K E E BB - 47 0 -119.0 -175.5 -179.0 -100.8 39.5 122.3 47 -1.8 47 -0.8 0 0.0 0 0.0 11 47
64 A 64 VAL V E E BB + 46 0 -120.8 146.6 178.6 153.3 40.3 155.9 0 0.0 0 0.0 0 0.0 0 0.0 11 44
65 A 65 VAL V E E BB 45 0 -152.1 175.0 179.8 999.9 999.9 156.2 45 -2.3 45 -1.4 0 0.0 0 0.0 8 31
66 A 66 GLU E 0 0 -140.7 999.9 999.9 999.9 999.9 65.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
1g6pA.pdb
1G6P STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEETTTTEEEEEETTS B BB SSSS SS SSSEEEEEEE SSS EEEEEEEE Kabs/Sand
chirality +--++-++-+-++------+-------+++++-+-++---++---+----+-+--+-++-+-+ chirality
bends SSSS S SSS SSSS SS SSS SSS SS bends
turns TTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< 3-turns
bridge-2 A B c bridge-2
bridge-1 AAA*AAA AAAAAA B cA BBBBBBB BB*BBBBB bridge-1
sheets AAAAAAA AAAAAA BBBBBBB BBBBBBBB sheets
4-turns 4-turns
summary eEEEEEEETTTTEEEEEEeTt B BB SSSS SS SSSEEEEEEE SSS EEEEEEEE summary
sequence MRGKVKWFDSKKGYGFITKDEGGDVFVHWSAIEMEGFKTLKEGQVVEFEIQEGKKGPQAAHVKVVE sequence
10 20 30 40 50 60