Secondary structure calculation program - copyright by David Keith Smith, 1989
1ewwA.pdb
1EWW ANTIFREEZE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 90
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 ASP D 0 0 999.9 72.3 -179.9 999.9 999.9 999.9 0 0.0 3 -0.7 0 0.0 0 0.0 6 16
2 A 2 GLY G t > T - 0 0 -107.2 68.2 180.0 -68.2 999.9 122.4 0 0.0 6 -2.3 0 0.0 0 0.0 7 24
3 A 3 SER S T T 4 > TS- 0 0 49.1 78.8 179.7 -43.9 101.2 15.5 1 -0.7 5 -2.8 0 0.0 6 -1.4 7 24
4 A 4 CYS C T T 4 3 TS- 0 0 68.6 -75.1 -179.8 -16.6 135.1 111.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
5 A 5 THR T T T 4 3 TS+ 0 0 -145.5 13.6 -179.8 110.7 105.8 76.9 3 -2.8 7 -1.0 0 0.0 0 0.0 12 36
6 A 6 ASN N t < < T + 0 0 -97.1 96.4 180.0 146.6 23.3 138.6 2 -2.3 0 0.0 3 -1.4 0 0.0 14 39
7 A 7 THR T S S S- 0 0 -113.8 20.2 -180.0 -4.1 86.8 82.1 5 -1.0 0 0.0 0 0.0 0 0.0 10 26
8 A 8 ASN N S S S+ 0 0 -177.3 -32.1 179.8 44.5 127.7 77.1 0 0.0 0 0.0 0 0.0 0 0.0 9 28
9 A 9 SER S S S S- 0 0 -108.7 -151.3 -180.0 -101.0 83.5 96.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38
10 A 10 GLN Q B B a - 26 0 -143.4 110.2 179.6 -176.3 22.0 151.1 25 -3.3 27 -3.5 0 0.0 0 0.0 10 45
11 A 11 LEU L t > > T - 0 0 -94.2 36.2 -180.0 -92.7 66.7 93.4 0 0.0 14 -1.2 0 0.0 15 -1.1 15 51
12 A 12 SER S T T 4 3 T - 0 0 68.9 2.2 -179.2 -108.1 48.6 55.7 0 0.0 0 0.0 0 0.0 0 0.0 11 40
13 A 13 ALA A T T 4 3 TS+ 0 0 46.6 23.5 -179.6 60.9 116.3 36.6 0 0.0 0 0.0 0 0.0 0 0.0 10 33
14 A 14 ASN N T T 4 < TS+ 0 0 -159.9 12.1 179.6 84.4 82.3 73.7 11 -1.2 0 0.0 0 0.0 0 0.0 8 29
15 A 15 SER S S t < TS- 0 0 -98.6 -144.3 179.5 -61.2 97.4 84.8 11 -1.1 17 -0.9 0 0.0 0 0.0 12 45
16 A 16 LYS K - 0 0 -107.4 90.0 -179.2 -160.1 42.8 139.6 0 0.0 18 -3.9 0 0.0 0 0.0 9 40
17 A 17 CYS C + 0 0 -65.5 64.5 179.6 135.9 44.4 103.4 15 -0.9 0 0.0 0 0.0 0 0.0 13 41
18 A 18 GLU E + 0 0 -100.2 25.1 179.9 37.9 65.5 84.3 16 -3.9 0 0.0 32 -0.5 0 0.0 9 38
19 A 19 LYS K S S S- 0 0 -171.3 133.0 179.8 -119.6 80.0 148.8 0 0.0 0 0.0 0 0.0 0 0.0 10 45
20 A 20 SER S - 0 0 -58.7 -163.7 -179.9 -127.3 34.8 75.7 0 0.0 0 0.0 0 0.0 0 0.0 10 40
21 A 21 THR T - 0 0 -147.7 162.7 180.0 -145.0 8.4 166.1 0 0.0 0 0.0 0 0.0 0 0.0 14 42
22 A 22 LEU L - 0 0 -95.3 -83.6 -179.9 -69.7 61.8 33.4 0 0.0 0 0.0 0 0.0 0 0.0 11 31
23 A 23 THR T S S S+ 0 0 -165.0 24.5 -179.9 61.9 111.2 79.1 0 0.0 0 0.0 0 0.0 0 0.0 9 26
24 A 24 ASN N + 0 0 -157.5 76.4 179.9 109.6 64.7 115.2 0 0.0 40 -1.3 0 0.0 0 0.0 13 37
25 A 25 CYS C + 0 0 -155.8 128.0 179.0 173.4 25.7 157.2 0 0.0 10 -3.3 0 0.0 0 0.0 15 55
26 A 26 TYR Y B B a + 10 0 -136.2 91.9 -178.6 175.8 16.6 142.1 0 0.0 0 0.0 0 0.0 0 0.0 12 49
27 A 27 VAL V - 0 0 -94.4 164.4 179.6 -150.2 16.9 122.3 10 -3.5 0 0.0 0 0.0 0 0.0 13 57
28 A 28 ASP D - 0 0 -137.4 117.0 -179.5 -30.3 69.2 161.7 0 0.0 44 -4.0 0 0.0 0 0.0 13 36
29 A 29 LYS K S S S+ 0 0 40.3 71.3 -179.3 139.5 98.3 21.4 0 0.0 0 0.0 0 0.0 0 0.0 11 33
30 A 30 SER S - 0 0 -131.5 -175.0 179.4 -130.2 51.1 135.2 0 0.0 0 0.0 0 0.0 0 0.0 16 49
31 A 31 GLU E B B b + 46 0 -144.1 100.8 179.7 171.0 27.4 143.7 45 -2.9 47 -1.2 0 0.0 0 0.0 11 48
32 A 32 VAL V - 0 0 -110.2 151.8 -179.2 -152.9 19.4 144.3 0 0.0 18 -0.5 0 0.0 0 0.0 14 54
33 A 33 TYR Y S S S- 0 0 -125.9 94.4 -180.0 -36.0 75.8 144.1 0 0.0 0 0.0 0 0.0 0 0.0 12 36
34 A 34 GLY G S S S+ 0 0 61.0 46.1 -179.7 160.7 92.5 17.6 0 0.0 0 0.0 0 0.0 0 0.0 11 34
35 A 35 THR T - 0 0 -102.4 146.4 -179.7 -129.9 34.8 140.8 0 0.0 0 0.0 0 0.0 0 0.0 12 50
36 A 36 THR T - 0 0 -90.3 159.7 179.9 -171.8 17.7 122.5 50 -0.9 0 0.0 0 0.0 0 0.0 13 52
37 A 37 CYS C + 0 0 -113.9 -79.8 180.0 142.0 29.0 47.6 0 0.0 39 -3.3 0 0.0 0 0.0 13 55
38 A 38 THR T S S S- 0 0 68.2 -68.4 -179.9 -0.3 89.7 107.3 0 0.0 0 0.0 0 0.0 0 0.0 10 38
39 A 39 GLY G S S S+ 0 0 -155.6 104.3 -179.6 85.8 100.8 139.6 37 -3.3 0 0.0 0 0.0 0 0.0 10 37
40 A 40 SER S - 0 0 -178.3 179.6 179.3 -122.6 53.9 169.5 24 -1.3 0 0.0 0 0.0 0 0.0 17 48
41 A 41 ARG R E E Aa - 56 0 -147.5 127.6 179.9 -168.3 19.2 164.1 55 -2.4 57 -3.7 0 0.0 0 0.0 14 53
42 A 42 PHE F E E Aa + 57 0 -109.2 172.8 179.7 169.8 9.9 128.1 0 0.0 0 0.0 0 0.0 0 0.0 13 62
43 A 43 ASP D E E Aa S- 58 0 177.2 98.5 -179.5 -13.5 70.9 114.0 57 -1.0 59 -0.8 0 0.0 0 0.0 14 45
44 A 44 GLY G S S S+ 0 0 66.1 66.5 -179.3 135.3 94.0 1.8 28 -4.0 59 -1.9 0 0.0 0 0.0 12 38
45 A 45 VAL V - 0 0 -146.3 148.8 178.7 -151.3 47.7 178.2 0 0.0 31 -2.9 0 0.0 47 -0.5 17 51
46 A 46 THR T B B bc + 31 63 -122.3 89.7 -179.1 150.3 36.9 142.1 62 -0.7 64 -0.9 0 0.0 0 0.0 12 49
47 A 47 ILE I - 0 0 -114.6 168.9 179.5 -142.9 30.1 135.2 31 -1.2 0 0.0 45 -0.5 0 0.0 14 54
48 A 48 THR T - 0 0 -115.9 -164.9 179.8 -30.0 61.6 114.3 0 0.0 50 -0.8 0 0.0 0 0.0 12 43
49 A 49 THR T S S S+ 0 0 -49.6 94.0 -179.5 155.0 84.1 103.0 0 0.0 0 0.0 0 0.0 0 0.0 11 38
50 A 50 SER S - 0 0 -132.2 137.5 179.2 -145.4 49.6 169.8 48 -0.8 36 -0.9 0 0.0 0 0.0 14 50
51 A 51 THR T + 0 0 -87.9 40.1 -179.6 126.6 61.1 96.3 67 -0.9 53 -0.8 0 0.0 0 0.0 11 46
52 A 52 SER S + 0 0 -102.2 103.0 179.8 138.7 20.4 145.0 0 0.0 0 0.0 0 0.0 0 0.0 13 60
53 A 53 THR T + 0 0 -146.3 95.6 179.7 82.8 34.5 137.5 51 -0.8 0 0.0 0 0.0 0 0.0 14 57
54 A 54 GLY G S S S+ 0 0 -156.0 -53.1 -179.4 28.7 85.3 72.1 0 0.0 0 0.0 0 0.0 0 0.0 13 41
55 A 55 SER S S e S- 0 0 -105.7 -162.6 179.8 -71.3 94.4 104.2 0 0.0 41 -2.4 0 0.0 0 0.0 15 38
56 A 56 ARG R E E Aa - 41 0 -95.8 137.6 -179.8 -157.9 41.8 140.2 89 -2.3 88 -0.7 0 0.0 0 0.0 14 49
57 A 57 ILE I E E AaB + 42 87 -118.3 128.6 179.8 155.7 21.5 161.5 41 -3.7 43 -1.0 0 0.0 0 0.0 13 60
58 A 58 SER S E E AaB + 43 86 -145.7 157.4 179.8 147.4 2.1 169.2 86 -1.0 86 -2.9 0 0.0 0 0.0 12 44
59 A 59 GLY G e - 0 0 169.5 125.6 179.0 -139.9 42.2 125.2 44 -1.9 0 0.0 43 -0.8 0 0.0 12 31
60 A 60 PRO P S S S+ 0 0 -71.2 -5.0 179.6 3.7 114.5 56.4 0 0.0 0 0.0 0 0.0 0 0.0 7 26
61 A 61 GLY G S S S+ 0 0 -168.1 33.6 -179.3 154.3 91.4 86.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
62 A 62 CYS C - 0 0 -72.9 146.3 179.4 -165.1 22.3 116.0 0 0.0 46 -0.7 0 0.0 0 0.0 13 35
63 A 63 LYS K B B cD - 46 83 -135.9 111.3 -179.2 -179.2 8.4 157.8 83 -1.2 83 -1.2 0 0.0 0 0.0 12 36
64 A 64 ILE I - 0 0 -104.4 171.5 179.8 -147.6 16.8 125.1 46 -0.9 0 0.0 0 0.0 0 0.0 13 45
65 A 65 SER S - 0 0 -143.0 96.4 -179.8 -73.4 54.2 140.8 0 0.0 67 -1.0 0 0.0 0 0.0 11 37
66 A 66 THR T S S S+ 0 0 54.6 -93.8 179.9 157.7 73.4 107.4 0 0.0 0 0.0 0 0.0 0 0.0 12 38
67 A 67 CYS C - 0 0 70.3 -167.5 -180.0 -90.7 40.5 102.3 65 -1.0 51 -0.9 0 0.0 0 0.0 14 41
68 A 68 ILE I - 0 0 -130.6 -169.1 -179.7 -36.0 61.8 128.7 0 0.0 0 0.0 0 0.0 0 0.0 12 36
69 A 69 ILE I - 0 0 -42.5 168.0 -179.8 -169.4 60.6 83.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
70 A 70 THR T + 0 0 -137.6 -139.7 -179.0 155.7 33.2 109.3 0 0.0 0 0.0 0 0.0 0 0.0 13 45
71 A 71 GLY G S S S- 0 0 108.9 44.4 -178.8 -53.8 96.8 39.6 0 0.0 0 0.0 0 0.0 0 0.0 12 34
72 A 72 GLY G S S S+ 0 0 62.7 18.0 -179.4 121.1 116.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 11 29
73 A 73 VAL V - 0 0 -116.7 150.5 179.6 -140.8 66.7 151.0 0 0.0 0 0.0 0 0.0 0 0.0 8 29
74 A 74 PRO P t > T + 0 0 -72.8 -47.8 179.9 174.0 39.7 21.4 0 0.0 77 -0.6 0 0.0 0 0.0 7 30
75 A 75 ALA A T T 3 T - 0 0 60.8 173.9 180.0 -48.7 58.9 84.2 0 0.0 77 -2.6 0 0.0 0 0.0 8 26
76 A 76 PRO P T T 3 TS+ 0 0 -74.3 53.3 180.0 108.4 106.0 104.2 0 0.0 0 0.0 0 0.0 0 0.0 7 22
77 A 77 SER S t X T + 0 0 -117.1 22.2 179.4 126.6 23.4 83.5 75 -2.6 80 -4.2 74 -0.6 0 0.0 8 25
78 A 78 ALA A T T 3 TS+ 0 0 -50.3 -22.9 179.6 56.5 78.7 36.3 0 0.0 0 0.0 0 0.0 0 0.0 7 21
79 A 79 ALA A T T 3 TS+ 0 0 -85.1 -8.6 -179.8 105.2 86.6 54.6 0 0.0 0 0.0 0 0.0 0 0.0 6 20
80 A 80 CYS C t < T - 0 0 -71.0 149.1 179.8 -137.4 68.0 113.3 77 -4.2 82 -0.7 0 0.0 0 0.0 10 28
81 A 81 LYS K + 0 0 -111.9 103.3 -179.9 165.3 31.4 149.7 0 0.0 0 0.0 0 0.0 0 0.0 9 31
82 A 82 ILE I + 0 0 -120.7 124.2 -179.8 171.0 4.3 162.9 80 -0.7 0 0.0 0 0.0 0 0.0 9 40
83 A 83 SER S B B D + 63 0 -134.7 123.5 -179.9 3.7 65.8 166.2 63 -1.2 63 -1.2 0 0.0 0 0.0 7 26
84 A 84 GLY G S S S+ 0 0 71.9 60.8 -179.8 138.8 90.1 8.1 0 0.0 0 0.0 0 0.0 0 0.0 9 23
85 A 85 CYS C - 0 0 -138.8 146.1 179.6 -159.8 38.6 173.0 0 0.0 0 0.0 0 0.0 0 0.0 12 37
86 A 86 THR T E E AB + 58 0 -128.5 111.3 -179.6 144.2 29.5 158.6 58 -2.9 58 -1.0 0 0.0 0 0.0 7 38
87 A 87 PHE F E E AB + 57 0 -142.7 160.1 -179.9 166.6 15.3 164.7 0 0.0 0 0.0 0 0.0 0 0.0 9 42
88 A 88 SER S e - 0 0 -176.0 94.6 -179.8 -54.1 60.2 116.6 56 -0.7 0 0.0 0 0.0 0 0.0 10 28
89 A 89 ALA A 0 0 50.9 172.6 -179.6 999.9 999.9 77.8 0 0.0 56 -2.3 0 0.0 0 0.0 11 29
90 A 90 ASN N 0 0 -136.5 999.9 999.9 999.9 999.9 121.2 0 0.0 0 0.0 0 0.0 0 0.0 9 27
1ewwA.pdb
1EWW ANTIFREEZE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTT SSSB TTTS S S B S B SS SS EEES B S SSEEE SS B S SS TT TT BS EE Kabs/Sand
chirality ---++-+----++--++----++++--+-+--+--+-+--+-+-+--+-++++--++-++----+---+-+-+-++++-++++-++- chirality
bends SSS SSS SSS S S S SS SS SS S SS SS S SS S SS S bends
turns TTTTT TTTTT TTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33X33< 3-turns
bridge-2 c BB D bridge-2
bridge-1 a a b aaa b aaa c D BB bridge-1
sheets AAA AAA AA sheets
4-turns >444< >444< 4-turns
summary tTTTtSSSBtTTTt S S B S B SS SS EEES B S SeEEEeSS B S SS tTTtTTt BS EEe summary
sequence DGSCTNTNSQLSANSKCEKSTLTNCYVDKSEVYGTTCTGSRFDGVTITTSTSTGSRISGPGCKISTCIITGGVPAPSAACKISGCTFSAN sequence
10 20 30 40 50 60 70 80 90