Secondary structure calculation program - copyright by David Keith Smith, 1989
1ew4A.pdb
1EW4 UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 106
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 0 999.9 137.7 178.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 A 2 ASN N h > T - 0 0 -77.4 162.1 178.2 -113.9 999.9 112.5 0 0.0 6 -1.8 0 0.0 0 0.0 5 18
3 A 3 ASP D H H > TS+ 0 0 -61.8 -45.3 -179.2 51.7 116.8 23.6 0 0.0 7 -2.4 0 0.0 0 0.0 8 20
4 A 4 SER S H H > TS+ 0 0 -61.2 -42.5 179.2 51.2 107.7 24.0 0 0.0 8 -2.5 0 0.0 0 0.0 6 19
5 A 5 GLU E H H > TS+ 0 0 -62.9 -37.2 178.8 51.2 109.7 27.2 0 0.0 9 -2.7 0 0.0 0 0.0 8 27
6 A 6 PHE F H H X TS+ 0 0 -65.7 -44.0 179.7 49.6 109.2 21.8 2 -1.8 10 -3.0 0 0.0 0 0.0 11 32
7 A 7 HIS H H H X TS+ 0 0 -59.9 -44.6 178.5 48.5 112.8 21.2 3 -2.4 11 -2.5 0 0.0 0 0.0 8 28
8 A 8 ARG R H H X TS+ 0 0 -58.4 -53.8 -178.1 41.1 116.3 17.2 4 -2.5 12 -1.9 0 0.0 0 0.0 8 26
9 A 9 LEU L H H X TS+ 0 0 -65.7 -42.1 179.3 48.0 116.6 25.3 5 -2.7 13 -2.1 0 0.0 0 0.0 8 35
10 A 10 ALA A H H X TS+ 0 0 -66.9 -38.7 178.9 52.7 110.0 25.8 6 -3.0 14 -2.7 0 0.0 0 0.0 10 44
11 A 11 ASP D H H X TS+ 0 0 -61.7 -41.6 179.8 48.5 110.4 24.1 7 -2.5 15 -2.1 0 0.0 0 0.0 8 33
12 A 12 GLN Q H H X TS+ 0 0 -65.1 -40.1 179.3 49.4 111.4 27.5 8 -1.9 16 -2.2 0 0.0 0 0.0 8 29
13 A 13 LEU L H H X TS+ 0 0 -65.8 -42.2 178.4 52.3 109.4 25.3 9 -2.1 17 -2.5 0 0.0 0 0.0 8 45
14 A 14 TRP W H H X TS+ 0 0 -59.9 -43.9 -179.8 48.3 110.1 23.4 10 -2.7 18 -2.7 0 0.0 0 0.0 8 43
15 A 15 LEU L H H X TS+ 0 0 -63.6 -44.3 -178.9 49.8 111.4 20.1 11 -2.1 19 -2.9 0 0.0 0 0.0 8 29
16 A 16 THR T H H X TS+ 0 0 -62.5 -41.2 179.0 45.7 113.2 25.5 12 -2.2 20 -2.3 0 0.0 0 0.0 8 32
17 A 17 ILE I H H X TS+ 0 0 -65.7 -46.9 -178.6 48.0 114.8 20.0 13 -2.5 21 -2.8 0 0.0 0 0.0 8 47
18 A 18 GLU E H H X TS+ 0 0 -61.2 -44.9 180.0 44.6 114.8 22.6 14 -2.7 22 -1.9 0 0.0 0 0.0 9 37
19 A 19 GLU E H H X TS+ 0 0 -66.1 -45.1 -179.5 49.0 114.3 20.9 15 -2.9 23 -2.4 0 0.0 0 0.0 8 27
20 A 20 ARG R H H < TS+ 0 0 -62.5 -41.2 179.7 44.0 115.1 25.3 16 -2.3 0 0.0 0 0.0 0 0.0 9 33
21 A 21 LEU L H H < > TS+ 0 0 -74.9 -26.3 179.0 49.1 114.9 38.4 17 -2.8 24 -0.5 0 0.0 0 0.0 10 43
22 A 22 ASP D H H < 3 TS+ 0 0 -79.8 -31.6 179.9 52.4 109.2 35.9 18 -1.9 0 0.0 0 0.0 0 0.0 7 29
23 A 23 ASP D T h < 3 TS+ 0 0 -86.5 10.4 179.3 132.0 80.4 73.0 19 -2.4 0 0.0 0 0.0 0 0.0 6 24
24 A 24 TRP W t < T + 0 0 -66.2 124.0 -179.3 167.4 23.9 119.3 21 -0.5 0 0.0 0 0.0 0 0.0 7 31
25 A 25 ASP D + 0 0 -126.6 21.2 179.4 122.2 31.2 85.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
26 A 26 GLY G S S S- 0 0 -74.9 -177.3 -179.5 -97.9 77.7 94.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
27 A 27 ASP D S S S+ 0 0 -71.2 -34.4 -177.8 83.8 98.3 32.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
28 A 28 SER S S S S- 0 0 -73.7 149.9 177.4 -121.9 82.1 109.9 0 0.0 30 -0.7 0 0.0 0 0.0 8 29
29 A 29 ASP D + 0 0 -90.9 119.8 179.2 179.0 35.8 147.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
30 A 30 ILE I - 0 0 -127.0 127.0 -178.4 -161.0 9.6 172.7 28 -0.7 0 0.0 0 0.0 0 0.0 11 42
31 A 31 ASP D E E AA - 42 0 -110.0 139.3 176.4 -168.4 4.2 149.8 42 -2.4 42 -2.7 0 0.0 0 0.0 8 37
32 A 32 CYS C E E AA + 41 0 -126.7 130.5 178.9 175.3 10.0 175.1 0 0.0 0 0.0 0 0.0 0 0.0 11 41
33 A 33 GLU E E E AA - 40 0 -131.9 152.6 177.1 -145.6 21.7 160.4 40 -2.4 40 -2.6 0 0.0 0 0.0 7 31
34 A 34 ILE I E E AA + 39 0 -121.2 119.9 -177.0 171.0 23.6 169.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
35 A 35 ASN N E E AA > TS- 38 0 -134.1 116.4 -179.1 -13.9 73.1 165.6 38 -2.6 38 -1.9 0 0.0 0 0.0 7 19
36 A 36 GLY G T T 3 TS- 0 0 62.0 28.6 179.9 -57.0 128.8 34.4 0 0.0 0 0.0 0 0.0 0 0.0 4 16
37 A 37 GLY G T T 3 TS+ 0 0 84.0 -3.6 -178.4 122.8 113.0 68.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
38 A 38 VAL V E E AA < T - 35 0 -96.0 131.6 178.5 -138.8 56.3 140.1 35 -1.9 35 -2.6 0 0.0 0 0.0 10 33
39 A 39 LEU L E E AAB - 34 51 -91.3 128.0 176.5 -173.2 18.2 142.0 51 -2.5 51 -2.7 0 0.0 0 0.0 11 41
40 A 40 THR T E E AAB - 33 50 -123.5 123.4 179.6 -165.6 5.3 170.6 33 -2.6 33 -2.4 0 0.0 0 0.0 12 42
41 A 41 ILE I E E AAB - 32 49 -106.4 126.8 -178.8 -162.0 10.7 157.9 49 -3.1 49 -2.0 0 0.0 0 0.0 11 48
42 A 42 THR T E E AAB - 31 48 -117.9 135.8 -178.5 -156.2 0.7 160.6 31 -2.7 31 -2.4 0 0.0 0 0.0 11 41
43 A 43 PHE F e > T - 0 0 -105.0 165.7 -178.4 -103.1 32.5 126.6 47 -2.7 46 -2.1 0 0.0 0 0.0 13 39
44 A 44 GLU E T T 3 TS+ 0 0 -59.0 -31.2 179.0 57.7 119.2 37.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
45 A 45 ASN N T T 3 TS- 0 0 -81.4 7.4 178.9 -107.7 120.9 67.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
46 A 46 GLY G S t < TS+ 0 0 87.7 -10.5 -180.0 131.8 77.7 72.3 43 -2.1 0 0.0 0 0.0 0 0.0 6 24
47 A 47 SER S e - 0 0 -71.4 163.5 -178.2 -156.2 39.3 106.1 0 0.0 43 -2.7 0 0.0 0 0.0 9 33
48 A 48 LYS K E E AB - 42 0 -139.6 164.8 174.1 -149.0 19.6 154.0 0 0.0 0 0.0 0 0.0 0 0.0 11 42
49 A 49 ILE I E E AB - 41 0 -133.6 129.8 -177.6 -161.5 20.8 172.6 41 -2.0 41 -3.1 0 0.0 0 0.0 13 52
50 A 50 ILE I E E ABC - 40 63 -119.5 134.9 -178.6 -171.0 6.7 161.2 63 -2.5 63 -2.5 0 0.0 0 0.0 11 49
51 A 51 ILE I E E ABC + 39 62 -127.1 126.2 -179.2 162.5 16.0 172.6 39 -2.7 39 -2.5 0 0.0 0 0.0 11 54
52 A 52 ASN N E E A C - 0 61 -143.2 161.3 179.5 -113.3 34.3 163.7 61 -2.2 61 -3.2 0 0.0 0 0.0 10 46
53 A 53 ARG R E E A C - 0 60 -96.4 141.5 175.8 -158.5 10.1 137.6 0 0.0 55 -0.6 0 0.0 0 0.0 10 44
54 A 54 GLN Q E E >A C >T - 0 59 -116.5 83.4 -178.1 -174.6 16.4 145.7 59 -3.2 59 -1.9 0 0.0 58 -0.9 9 39
55 A 55 GLU E T T 4 >5TS+ 0 0 -46.0 -56.5 -179.7 53.5 75.5 29.0 53 -0.6 58 -1.2 0 0.0 0 0.0 8 29
56 A 56 PRO P T T 4 35TS+ 0 0 -50.3 -42.6 -178.1 37.8 118.1 28.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
57 A 57 LEU L T T 4 35TS- 0 0 -89.1 -5.5 -176.4 -128.0 104.1 61.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
58 A 58 HIS H T T < <5T + 0 0 54.8 43.7 178.2 132.8 66.2 22.7 55 -1.2 0 0.0 54 -0.9 0 0.0 11 35
59 A 59 GLN Q E E AC T - 0 77 -144.6 119.1 -179.6 -6.5 64.4 161.3 77 -3.2 77 -0.7 72 -0.6 0 0.0 7 29
75 A 75 GLY G T T 3 TS- 0 0 65.0 38.0 179.6 -56.0 129.1 27.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
76 A 76 ASP D T T 3 TS+ 0 0 68.5 16.8 179.7 96.5 122.6 50.0 0 0.0 0 0.0 0 0.0 0 0.0 5 25
77 A 77 GLU E E E AE < TS- 74 0 -137.7 145.4 178.0 -114.7 79.8 172.8 74 -0.7 74 -3.2 0 0.0 79 -0.6 8 35
78 A 78 TRP W E E AE - 73 0 -80.0 122.5 -175.3 -168.9 41.4 133.7 0 0.0 87 -2.5 0 0.0 0 0.0 11 46
79 A 79 ILE I E E AEA - 72 86 -120.6 135.7 179.5 -112.8 26.5 158.3 72 -3.0 72 -2.2 77 -0.6 0 0.0 13 34
80 A 80 CYS C E E >AE T - 71 0 -66.5 126.3 -177.2 -139.6 24.0 118.8 85 -3.0 84 -2.4 0 0.0 0 0.0 13 38
81 A 81 ASP D T e 4 TS+ 0 0 -73.7 11.0 178.0 39.2 97.1 71.7 70 -3.1 0 0.0 0 0.0 0 0.0 9 28
82 A 82 ARG R T T 4 TS+ 0 0 -124.8 -31.4 -177.9 18.0 131.6 53.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
83 A 83 SER S T T 4 TS- 0 0 -118.1 -18.7 -178.1 -126.5 88.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 5 24
84 A 84 GLY G t < T + 0 0 81.7 1.1 -179.7 145.1 59.7 61.3 80 -2.4 0 0.0 0 0.0 0 0.0 7 27
85 A 85 GLU E - 0 0 -73.4 148.3 -178.2 -104.4 52.9 115.3 0 0.0 80 -3.0 0 0.0 0 0.0 8 30
86 A 86 THR T B h > A T - 79 0 -76.8 151.2 178.5 -124.0 16.4 112.7 0 0.0 90 -2.4 0 0.0 0 0.0 10 34
87 A 87 PHE F H H > TS+ 0 0 -55.6 -47.7 -178.2 48.7 111.5 22.4 78 -2.5 91 -2.9 0 0.0 0 0.0 11 51
88 A 88 TRP W H H > TS+ 0 0 -66.3 -35.5 178.2 50.8 109.6 28.5 0 0.0 92 -2.5 0 0.0 0 0.0 6 49
89 A 89 ASP D H H > TS+ 0 0 -65.5 -43.4 -179.7 43.3 115.5 20.1 0 0.0 93 -2.4 0 0.0 0 0.0 8 35
90 A 90 LEU L H H X TS+ 0 0 -69.2 -39.9 178.3 47.6 115.4 27.1 86 -2.4 94 -2.3 0 0.0 0 0.0 9 45
91 A 91 LEU L H H X TS+ 0 0 -66.0 -45.4 -180.0 46.4 114.7 19.1 87 -2.9 95 -3.1 0 0.0 0 0.0 9 59
92 A 92 GLU E H H X TS+ 0 0 -64.3 -41.1 179.6 50.7 112.2 24.7 88 -2.5 96 -2.6 0 0.0 0 0.0 11 46
93 A 93 GLN Q H H X TS+ 0 0 -61.7 -46.1 -179.4 42.9 115.0 18.1 89 -2.4 97 -2.3 0 0.0 0 0.0 9 35
94 A 94 ALA A H H X TS+ 0 0 -65.6 -45.0 -179.6 49.0 114.9 22.9 90 -2.3 98 -3.0 0 0.0 0 0.0 12 44
95 A 95 ALA A H H X TS+ 0 0 -62.3 -40.7 179.1 50.0 111.6 27.3 91 -3.1 99 -2.2 0 0.0 0 0.0 11 51
96 A 96 THR T H H X >TS+ 0 0 -63.9 -44.5 179.7 45.2 113.8 21.6 92 -2.6 100 -1.8 0 0.0 101 -1.1 12 40
97 A 97 GLN Q H H < 5TS+ 0 0 -65.5 -45.2 -177.9 44.1 116.9 20.6 93 -2.3 0 0.0 0 0.0 0 0.0 8 33
98 A 98 GLN Q H H < 5TS+ 0 0 -74.4 -24.9 177.3 41.5 119.2 39.9 94 -3.0 0 0.0 0 0.0 0 0.0 11 37
99 A 99 ALA A H H < 5TS- 0 0 -90.2 -23.9 -177.1 -134.3 98.9 45.4 95 -2.2 0 0.0 0 0.0 0 0.0 13 36
100 A 100 GLY G T h < 5TS+ 0 0 71.6 30.9 -179.2 86.4 78.2 32.7 96 -1.8 0 0.0 0 0.0 0 0.0 6 27
101 A 101 GLU E S t 5555< >5555 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 BBBB CCCCC DDDD EEEE A bridge-2
bridge-1 AAAAA AAAAA BBBB CCCCC DDDD EEEE A bridge-1
sheets AAAAA AAAAA AAAAAAA AAAAA AAAAAAA AAAA sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >444< >444< >>>>XXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHht SSS EEEEETTEEEEEeTTteEEEEEEETTTTEEEEEeSSeEEEEEEETTEEEEeTTt hHHHHHHHHHHHHHh summary
sequence MNDSEFHRLADQLWLTIEERLDDWDGDSDIDCEINGGVLTITFENGSKIIINRQEPLHQVWLATKQGGYHFDLKGDEWICDRSGETFWDLLEQAATQQAG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S Kabs/Sand
chirality --+- chirality
bends S bends
turns T turns
5-turns < 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary t summary
sequence ETVSFR sequence