Secondary structure calculation program - copyright by David Keith Smith, 1989
1ewiA.pdb
1EWI REPLICATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 114
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 -48.9 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 2 VAL V + 0 0 -179.2 84.4 -180.0 124.3 999.9 107.1 0 0.0 0 0.0 0 0.0 0 0.0 3 8
3 A 3 GLY G + 0 0 -115.7 -112.5 -179.9 114.8 21.3 70.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
4 A 4 GLN Q - 0 0 45.2 26.2 -179.7 -158.1 58.9 35.7 0 0.0 0 0.0 0 0.0 0 0.0 4 28
5 A 5 LEU L + 0 0 -37.0 93.3 179.6 131.6 45.1 92.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
6 A 6 SER S + 0 0 -122.7 -29.1 179.1 67.4 54.3 52.1 0 0.0 8 -1.2 0 0.0 0 0.0 8 28
7 A 7 GLU E S S S+ 0 0 -88.2 51.1 -179.6 10.3 126.7 104.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
8 A 8 GLY G S h > TS+ 0 0 167.0 -27.4 179.7 76.9 114.9 84.6 6 -1.2 12 -1.2 0 0.0 0 0.0 7 25
9 A 9 ALA A H H > TS+ 0 0 -68.0 -65.2 -179.4 44.8 96.5 3.7 0 0.0 13 -1.5 0 0.0 0 0.0 12 35
10 A 10 ILE I H H > > TS+ 0 0 -45.7 -53.1 180.0 41.4 120.4 21.9 0 0.0 14 -1.9 0 0.0 13 -1.0 14 35
11 A 11 ALA A H H > 3 TS+ 0 0 -67.0 -26.6 179.7 54.9 113.9 33.6 0 0.0 15 -1.6 0 0.0 0 0.0 9 28
12 A 12 ALA A H H < 3 TS+ 0 0 -80.2 -12.0 179.4 53.3 106.1 49.9 8 -1.2 0 0.0 0 0.0 0 0.0 12 28
13 A 13 ILE I H H < <>TS+ 0 0 -87.6 -47.5 -180.0 28.1 120.4 24.7 9 -1.5 18 -0.7 10 -1.0 0 0.0 12 36
14 A 14 MET M H H < 5TS+ 0 0 -84.6 -23.0 -179.8 43.0 130.2 41.6 10 -1.9 0 0.0 0 0.0 0 0.0 8 31
15 A 15 GLN Q T h < 5TS+ 0 0 -90.1 -39.5 179.4 54.5 108.7 29.9 11 -1.6 0 0.0 0 0.0 0 0.0 7 18
16 A 16 LYS K T T 5TS- 0 0 -70.0 -3.2 -179.4 -113.0 117.4 54.6 0 0.0 0 0.0 0 0.0 0 0.0 9 17
17 A 17 GLY G T T 5T - 0 0 82.8 8.4 -179.1 -73.6 59.2 52.7 0 0.0 0 0.0 0 0.0 0 0.0 7 20
18 A 18 ASP D S t T + 0 0 -141.7 59.7 179.2 153.6 22.9 110.2 0 0.0 24 -1.4 0 0.0 25 -0.6 12 49
23 A 23 PRO P T T 3 T + 0 0 -82.7 48.4 -179.9 72.5 64.7 105.1 0 0.0 0 0.0 0 0.0 0 0.0 11 46
24 A 24 ILE I T T 3 T + 0 0 -150.1 30.1 -179.7 131.3 51.2 88.7 22 -1.4 26 -1.6 0 0.0 0 0.0 12 52
25 A 25 LEU L E E AA < T + 77 0 -89.9 80.6 -180.0 153.4 32.5 125.9 77 -1.1 77 -1.2 22 -0.6 0 0.0 12 61
26 A 26 GLN Q E E AAB - 76 47 -106.1 160.4 -179.8 -108.2 50.0 134.8 47 -1.8 47 -1.8 24 -1.6 28 -0.8 12 55
27 A 27 VAL V E E A B + 0 46 -90.0 113.7 -179.9 159.1 44.1 139.5 75 -1.0 0 0.0 0 0.0 0 0.0 15 54
28 A 28 ILE I E E A * + 0 0 -106.3 -20.0 -179.9 9.0 67.5 50.3 45 -1.7 0 0.0 26 -0.8 0 0.0 9 38
29 A 29 ASN N E E A B - 0 45 -150.0 173.5 179.9 -148.6 62.3 158.8 45 -1.8 45 -1.7 0 0.0 0 0.0 7 35
30 A 30 ILE I E E A B - 0 44 -147.1 153.9 -180.0 -162.9 3.6 172.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36
31 A 31 ARG R E E A B - 0 43 -144.5 91.7 180.0 -166.3 10.0 135.7 43 -1.1 43 -1.6 0 0.0 0 0.0 8 32
32 A 32 PRO P E E A B - 0 42 -78.2 129.6 -180.0 -158.9 6.0 126.7 0 0.0 34 -0.7 0 0.0 0 0.0 8 33
33 A 33 ILE I E E A B + 0 41 -109.7 72.5 179.9 111.7 55.0 126.3 41 -2.2 41 -1.9 0 0.0 0 0.0 10 23
34 A 34 THR T + 0 0 -127.4 22.1 180.0 131.1 38.9 84.2 32 -0.7 0 0.0 0 0.0 0 0.0 8 16
35 A 35 THR T - 0 0 -71.3 163.6 180.0 -86.2 69.0 105.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
36 A 36 GLY G S S S+ 0 0 -68.0 153.0 -180.0 30.8 113.4 109.5 0 0.0 0 0.0 0 0.0 0 0.0 4 9
37 A 37 ASN N S S S+ 0 0 66.3 43.0 -180.0 88.5 108.6 20.9 0 0.0 0 0.0 0 0.0 0 0.0 4 9
38 A 38 SER S S S S- 0 0 -166.7 154.5 -180.0 -102.7 76.9 167.4 0 0.0 0 0.0 0 0.0 0 0.0 7 12
39 A 39 PRO P - 0 0 -78.1 164.0 -180.0 -89.7 48.3 107.9 0 0.0 41 -0.8 0 0.0 0 0.0 6 14
40 A 40 PRO P + 0 0 -78.0 109.2 180.0 155.0 62.5 130.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19
41 A 41 ARG R E E AB - 33 0 -133.0 163.7 180.0 -155.1 34.4 154.0 33 -1.9 33 -2.2 39 -0.8 0 0.0 7 31
42 A 42 TYR Y E E AB + 32 0 -140.5 77.0 180.0 171.6 19.4 125.5 0 0.0 44 -0.6 0 0.0 0 0.0 10 37
43 A 43 ARG R E E AB - 31 0 -90.2 121.2 -179.9 -173.4 11.8 139.6 31 -1.6 31 -1.1 0 0.0 0 0.0 13 41
44 A 44 LEU L E E AB - 30 0 -110.1 163.6 -180.0 -121.5 24.0 135.9 42 -0.6 46 -0.7 0 0.0 0 0.0 13 46
45 A 45 LEU L E E AB - 29 0 -108.1 112.1 180.0 -175.2 30.2 152.3 29 -1.7 29 -1.8 0 0.0 28 -1.7 13 44
46 A 46 MET M E E AB + 27 0 -105.2 147.4 -179.9 165.2 8.8 143.2 44 -0.7 53 -2.2 0 0.0 0 0.0 14 57
47 A 47 SER S E E ABA - 26 52 -150.0 173.6 179.9 -146.1 36.4 158.8 26 -1.8 26 -1.8 0 0.0 0 0.0 14 47
48 A 48 ASP D S S S- 0 0 -122.1 -10.9 -180.0 -74.1 72.5 61.4 51 -0.6 0 0.0 0 0.0 0 0.0 11 48
49 A 49 GLY G S S S+ 0 0 122.2 28.6 -180.0 21.6 121.0 52.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
50 A 50 LEU L S S S+ 0 0 179.9 -59.5 179.5 45.3 116.2 92.0 0 0.0 52 -0.6 0 0.0 0 0.0 6 29
51 A 51 ASN N - 0 0 -110.2 118.7 -179.8 -169.5 67.0 155.7 0 0.0 48 -0.6 0 0.0 0 0.0 7 30
52 A 52 THR T B B A + 47 0 -99.0 172.1 -180.0 176.0 13.2 120.5 50 -0.6 0 0.0 0 0.0 0 0.0 9 34
53 A 53 LEU L - 0 0 -138.4 -71.0 179.9 -170.5 10.3 65.3 46 -2.2 0 0.0 0 0.0 0 0.0 8 42
54 A 54 SER S + 0 0 71.7 41.1 -180.0 108.6 56.6 23.4 0 0.0 0 0.0 0 0.0 0 0.0 10 45
55 A 55 SER S + 0 0 -122.3 -15.9 -179.9 71.2 58.3 57.9 0 0.0 94 -2.0 0 0.0 57 -0.9 12 44
56 A 56 PHE F B B b + 94 0 -106.2 92.4 179.8 119.6 57.0 140.4 0 0.0 0 0.0 0 0.0 0 0.0 15 52
57 A 57 MET M + 0 0 -150.1 65.5 179.5 96.5 36.2 111.5 94 -1.7 0 0.0 55 -0.9 0 0.0 12 51
58 A 58 LEU L + 0 0 -150.0 55.6 179.8 100.4 54.1 104.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
59 A 59 ALA A S g > TS- 0 0 -113.1 -135.1 179.4 -49.5 98.9 86.6 0 0.0 62 -0.6 0 0.0 0 0.0 8 37
60 A 60 THR T G G > TS+ 0 0 -89.9 17.2 -179.8 111.6 100.6 76.3 0 0.0 63 -2.0 0 0.0 0 0.0 6 29
61 A 61 GLN Q G G 3 T + 0 0 -65.0 -9.2 179.9 82.6 55.9 50.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
62 A 62 LEU L G G < T + 0 0 -69.3 -13.2 -180.0 112.3 69.4 46.6 59 -0.6 0 0.0 0 0.0 0 0.0 9 30
63 A 63 ASN N S g < TS- 0 0 -48.7 177.3 -179.6 -109.1 81.2 83.3 60 -2.0 0 0.0 0 0.0 0 0.0 7 23
64 A 64 PRO P S t > TS+ 0 0 -78.6 -67.6 -179.5 17.5 111.0 13.1 0 0.0 67 -0.7 0 0.0 0 0.0 5 15
65 A 65 LEU L T h > 3 TS+ 0 0 -90.1 10.1 178.7 93.7 102.3 69.4 0 0.0 69 -1.7 0 0.0 0 0.0 6 17
66 A 66 VAL V H H > 3 TS+ 0 0 -79.1 1.3 177.5 60.5 79.8 58.1 0 0.0 70 -1.3 0 0.0 0 0.0 11 32
67 A 67 GLU E H H 4 < TS+ 0 0 -90.4 -34.3 178.8 42.2 108.2 37.0 64 -0.7 0 0.0 0 0.0 0 0.0 11 37
68 A 68 GLU E H H 4 TS+ 0 0 -79.2 -29.4 -179.8 40.4 122.8 39.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
69 A 69 GLU E H H < TS+ 0 0 -90.0 -33.8 179.9 55.6 110.4 35.1 65 -1.7 0 0.0 0 0.0 0 0.0 8 41
70 A 70 GLN Q S h < TS- 0 0 -75.5 -4.3 179.5 -3.4 139.9 55.0 66 -1.3 0 0.0 0 0.0 0 0.0 10 53
71 A 71 LEU L S S S+ 0 0 179.3 57.3 -179.8 155.5 73.7 90.7 0 0.0 0 0.0 0 0.0 0 0.0 14 52
72 A 72 SER S S S S- 0 0 -61.1 -47.3 -179.9 -25.4 92.5 18.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
73 A 73 SER S S S S- 0 0 -162.2 47.8 -180.0 -47.0 120.9 94.4 0 0.0 0 0.0 0 0.0 0 0.0 10 31
74 A 74 ASN N S S S- 0 0 83.1 64.6 179.7 -172.9 70.1 16.4 0 0.0 0 0.0 0 0.0 0 0.0 11 39
75 A 75 CYS C e - 0 0 -92.6 129.6 -179.5 -141.0 14.5 140.4 0 0.0 27 -1.0 0 0.0 0 0.0 15 42
76 A 76 VAL V E E AA + 26 0 -91.7 138.5 179.6 162.4 29.6 136.0 0 0.0 103 -1.2 0 0.0 104 -0.8 15 48
77 A 77 CYS C E E AA - 25 0 -150.3 150.5 178.9 -127.0 39.0 174.8 25 -1.2 25 -1.1 0 0.0 79 -1.0 15 48
78 A 78 GLN Q - 0 0 -102.3 93.0 -179.3 -140.1 31.3 140.2 0 0.0 0 0.0 0 0.0 0 0.0 13 44
79 A 79 ILE I - 0 0 -48.5 142.6 -180.0 -162.8 12.1 98.9 77 -1.0 0 0.0 0 0.0 0 0.0 13 51
80 A 80 HIS H + 0 0 -100.4 -35.5 -180.0 8.8 68.1 38.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
81 A 81 ARG R e + 0 0 -138.6 170.4 -180.0 166.6 61.3 152.9 0 0.0 97 -1.8 0 0.0 98 -0.8 7 32
82 A 82 PHE F E E BC - 96 0 178.6 142.6 -180.0 -112.7 40.0 147.2 0 0.0 84 -1.3 0 0.0 0 0.0 11 36
83 A 83 ILE I E E BC - 95 0 -88.1 93.5 -179.9 -172.9 36.2 132.4 95 -0.7 95 -1.1 0 0.0 85 -0.8 10 25
84 A 84 VAL V E E BC + 94 0 -90.0 111.3 179.7 143.1 22.5 138.9 82 -1.3 0 0.0 0 0.0 0 0.0 8 32
85 A 85 ASN N E E BC - 93 0 -150.0 120.1 -179.3 -149.1 34.9 157.1 93 -1.2 93 -1.1 83 -0.8 0 0.0 7 23
86 A 86 THR T - 0 0 -89.6 151.0 179.6 -131.1 15.8 128.0 0 0.0 88 -0.9 0 0.0 0 0.0 10 20
87 A 87 LEU L S t > > TS- 0 0 -102.5 95.7 -179.9 -27.7 87.4 141.4 0 0.0 91 -1.8 0 0.0 90 -1.2 8 14
88 A 88 LYS K T T 4 3 TS- 0 0 74.9 16.3 -179.8 -77.8 107.4 44.4 86 -0.9 0 0.0 0 0.0 0 0.0 6 10
89 A 89 ASP D T T 4 3 TS+ 0 0 68.1 7.2 -179.5 69.7 132.2 52.3 0 0.0 0 0.0 0 0.0 0 0.0 6 11
90 A 90 GLY G T T 4 < TS+ 0 0 -118.0 -63.4 -179.9 44.2 90.8 45.4 87 -1.2 92 -2.0 0 0.0 0 0.0 6 13
91 A 91 ARG R S t < TS- 0 0 -84.5 66.4 -179.1 -161.0 85.2 116.0 87 -1.8 0 0.0 0 0.0 0 0.0 7 18
92 A 92 ARG R - 0 0 -43.4 157.0 179.9 -162.7 6.4 89.5 90 -2.0 0 0.0 0 0.0 0 0.0 10 23
93 A 93 VAL V E E BC + 85 0 -150.1 91.2 -179.5 164.4 16.8 133.4 85 -1.1 85 -1.2 0 0.0 0 0.0 11 28
94 A 94 VAL V E E BCb - 84 56 -110.2 151.5 -179.9 -156.3 17.7 144.8 55 -2.0 57 -1.7 0 0.0 0 0.0 13 37
95 A 95 ILE I E E BC - 83 0 -125.8 149.1 179.8 -123.3 16.3 159.8 83 -1.1 83 -0.7 0 0.0 0 0.0 12 36
96 A 96 LEU L E E BC - 82 0 -89.9 144.3 -179.9 -179.5 23.4 132.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
97 A 97 MET M e - 0 0 -106.7 -64.6 -179.9 -38.7 55.7 36.2 81 -1.8 0 0.0 0 0.0 0 0.0 10 35
98 A 98 GLU E - 0 0 -146.3 -163.8 180.0 -111.7 54.2 137.0 81 -0.8 0 0.0 0 0.0 0 0.0 8 41
99 A 99 LEU L - 0 0 -138.3 159.7 -179.9 -171.3 14.5 161.3 0 0.0 0 0.0 0 0.0 0 0.0 9 43
100 A 100 GLU E + 0 0 -154.3 76.9 179.3 48.4 58.7 117.5 0 0.0 0 0.0 0 0.0 0 0.0 10 30
101 A 101 VAL V S S S- 0 0 -179.8 -158.6 179.0 -21.2 119.4 155.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
102 A 102 LEU L S S S- 0 0 -36.9 -29.4 177.9 -163.5 74.6 32.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
103 A 103 LYS K S S S+ 0 0 50.9 21.5 -178.4 32.6 82.6 39.0 76 -1.2 0 0.0 0 0.0 0 0.0 10 39
104 A 104 SER S + 0 0 165.0 43.3 -178.4 154.7 68.3 77.8 76 -0.8 106 -1.1 0 0.0 0 0.0 13 36
105 A 105 ALA A + 0 0 -82.7 44.4 178.4 146.4 14.1 98.2 0 0.0 0 0.0 0 0.0 0 0.0 11 34
106 A 106 GLU E - 0 0 -48.9 -30.1 180.0 -148.3 48.4 30.7 104 -1.1 0 0.0 0 0.0 0 0.0 12 32
107 A 107 ALA A S S S+ 0 0 72.6 3.3 -180.0 62.6 85.3 57.2 0 0.0 0 0.0 0 0.0 0 0.0 9 24
108 A 108 VAL V S S S+ 0 0 -126.6 -33.5 -180.0 54.1 93.9 52.5 0 0.0 0 0.0 0 0.0 0 0.0 6 20
109 A 109 GLY G + 0 0 -69.5 -99.6 180.0 130.6 55.6 28.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
110 A 110 VAL V - 0 0 44.4 85.5 180.0 -138.1 55.8 21.7 0 0.0 112 -0.6 0 0.0 0 0.0 6 19
111 A 111 LYS K + 0 0 -76.2 116.7 180.0 177.9 29.9 127.8 0 0.0 0 0.0 0 0.0 0 0.0 4 11
112 A 112 ILE I + 0 0 -121.3 145.9 -180.0 79.2 26.9 158.0 110 -0.6 0 0.0 0 0.0 0 0.0 4 8
113 A 113 GLY G 0 0 137.8 154.5 -180.0 999.9 999.9 122.3 0 0.0 0 0.0 0 0.0 0 0.0 3 5
114 A 114 ASN N 0 0 60.9 999.9 999.9 999.9 999.9 78.4 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1ewiA.pdb
1EWI REPLICATION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSHHHHHHTTTSSS TTEEEEEEEEE SSS EEEEEEESSS B B SGGGSSTHHHHSSSSS EE EEEE STTTS EEEE Kabs/Sand
chirality ++-+++++++++++--+-++++++-++----++-++--+-+---+--++-+-+++++-+++-++++++-+----+---++--+----++--+------+ chirality
bends SSSSSSSSSS SSS SSS SSS SS SSSSSSSSSSSS SSSSS bends
turns TTTTTTTTTTT TTTT TTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<<>33< >33< 3-turns
bridge-2 BB*BBBBB A b bridge-2
bridge-1 AA BBBBBBB A b AA CCCC CCCC bridge-1
sheets AAAAAAAAA AAAAAAA AA BBBB BBBB sheets
4-turns >>>><<<< >>44<< >444< 4-turns
summary ShHHHHHHhTTtSS tTTEEEEEEEEE SSS EEEEEEESSS B B gGGGgthHHHHhSSSSeEE eEEEE tTTTt EEEEe summary
sequence MVGQLSEGAIAAIMQKGDTNIKPILQVINIRPITTGNSPPRYRLLMSDGLNTLSSFMLATQLNPLVEEEQLSSNCVCQIHRFIVNTLKDGRRVVILMELE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSS SS Kabs/Sand
chirality --+++-+++-++ chirality
bends SSS SS bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary SSS SS summary
sequence VLKSAEAVGVKIGN sequence
110