Secondary structure calculation program - copyright by David Keith Smith, 1989
1wba-.pdb
1WBA SEED STORAGE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 171
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 2 ASP D 0 0 999.9 165.1 -179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 19
2 3 ASP D - 0 0 -70.3 143.4 179.0 -115.4 999.9 111.9 0 0.0 73 -3.0 0 0.0 0 0.0 5 30
3 4 PRO P B B A - 72 0 -76.4 151.5 178.1 -114.3 31.1 118.9 0 0.0 0 0.0 0 0.0 0 0.0 10 39
4 5 VAL V - 0 0 -84.3 139.3 -179.2 -144.5 32.7 136.5 71 -2.5 12 -2.7 0 0.0 0 0.0 13 53
5 6 TYR Y B B B - 11 0 -108.9 145.6 176.2 -130.2 4.0 147.3 0 0.0 0 0.0 0 0.0 0 0.0 11 49
6 7 ASP D t > T - 0 0 -80.4 174.7 -178.1 -89.8 42.9 107.4 10 -3.1 9 -2.3 0 0.0 0 0.0 13 46
7 8 ALA A T T 3 TS+ 0 0 -60.4 -18.2 179.8 55.8 127.9 47.9 168 -3.2 0 0.0 0 0.0 0 0.0 10 37
8 9 GLU E T T 3 TS- 0 0 -94.1 -1.3 179.0 -105.6 120.2 63.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
9 10 GLY G S t < TS+ 0 0 87.6 16.2 176.6 125.2 78.8 46.6 6 -2.3 0 0.0 0 0.0 0 0.0 7 26
10 11 ASN N - 0 0 -104.8 151.7 178.6 -97.5 68.7 143.4 0 0.0 6 -3.1 0 0.0 0 0.0 7 27
11 12 LYS K B B B - 5 0 -66.0 143.4 178.9 -105.1 43.9 114.3 0 0.0 0 0.0 0 0.0 0 0.0 10 38
12 13 LEU L - 0 0 -67.3 143.0 -179.7 -129.3 34.3 115.6 4 -2.7 71 -1.2 0 0.0 0 0.0 11 49
13 14 VAL V B B C > T - 70 0 -100.7 131.2 179.6 -108.7 23.4 148.5 0 0.0 16 -2.3 0 0.0 0 0.0 8 40
14 15 ASN N T T 3 TS+ 0 0 -58.7 126.4 -179.8 9.2 105.3 111.1 69 -2.5 0 0.0 0 0.0 0 0.0 11 45
15 16 ARG R T T 3 TS+ 0 0 78.3 9.2 -179.5 138.3 100.3 60.0 58 -2.8 0 0.0 0 0.0 0 0.0 8 44
16 17 GLY G E E AA < T - 58 0 -82.1 164.5 -179.9 -109.3 56.8 110.6 13 -2.3 58 -1.9 58 -0.6 18 -0.5 9 41
17 18 LYS K E E AA + 57 0 -100.1 127.7 -179.1 168.5 41.7 147.5 0 0.0 171 -2.5 0 0.0 0 0.0 11 46
18 19 TYR Y E E AAB - 56 170 -138.1 151.2 177.4 -130.4 33.7 163.0 56 -2.9 56 -2.9 16 -0.5 20 -0.7 12 51
19 20 THR T E E AAB - 55 169 -103.8 110.4 178.0 -145.5 23.7 157.2 169 -2.8 169 -2.5 0 0.0 0 0.0 13 53
20 21 ILE I E E A B - 0 168 -75.6 126.7 -179.7 -176.5 23.6 132.9 18 -0.7 29 -0.7 54 -0.5 0 0.0 14 63
21 22 VAL V E E ADB - 28 167 -131.6 135.4 178.9 -111.3 31.0 172.4 167 -2.5 167 -2.2 0 0.0 0 0.0 13 53
22 23 SER S E E >A B T - 0 166 -64.8 127.4 -179.0 -143.8 25.5 118.1 27 -3.4 26 -2.2 0 0.0 0 0.0 13 49
23 24 PHE F T e 4 TS+ 0 0 -59.2 -54.1 -177.5 47.9 91.4 19.6 165 -2.6 0 0.0 0 0.0 0 0.0 10 38
24 25 SER S T T 4 TS+ 0 0 -64.3 -31.9 -178.5 11.0 131.6 36.0 0 0.0 0 0.0 0 0.0 0 0.0 5 31
25 26 ASP D T T 4 TS- 0 0 -128.8 -2.6 179.2 -117.8 91.6 62.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
26 27 GLY G t < T + 0 0 79.4 7.0 179.7 148.6 58.6 57.7 22 -2.2 0 0.0 0 0.0 0 0.0 7 31
27 28 ALA A - 0 0 -78.5 145.1 179.0 -151.5 30.5 120.9 0 0.0 22 -3.4 0 0.0 0 0.0 13 36
28 29 GLY G B e D - 21 0 -102.5 -171.2 -179.5 -73.5 27.0 106.1 52 -0.6 48 -3.3 0 0.0 0 0.0 14 48
29 30 ILE I E E AC + 47 0 -88.4 138.1 -177.5 175.4 50.2 134.3 20 -0.7 54 -2.9 0 0.0 0 0.0 14 67
30 31 ASP D E E AC - 46 0 -137.6 166.1 178.5 -135.8 26.2 144.3 46 -2.8 46 -2.4 0 0.0 0 0.0 11 54
31 32 VAL V E E AC + 45 0 -130.9 118.8 -178.7 150.2 38.0 171.8 0 0.0 0 0.0 0 0.0 0 0.0 10 56
32 33 VAL V E E AC - 44 0 -139.9 170.3 177.6 -94.0 49.3 150.8 44 -2.0 44 -2.2 0 0.0 43 -0.5 10 46
33 34 ALA A - 0 0 -89.3 135.1 176.4 -175.9 42.7 138.9 0 0.0 0 0.0 0 0.0 0 0.0 13 38
34 35 THR T t > T - 0 0 -123.8 162.3 178.2 -9.5 52.8 152.0 0 0.0 37 -2.3 0 0.0 0 0.0 10 42
35 36 GLY G T T 3 TS- 0 0 56.9 -122.0 -178.1 -12.0 134.8 106.3 0 0.0 0 0.0 0 0.0 0 0.0 4 34
36 37 ASN N T T 3 TS+ 0 0 -96.4 7.1 179.8 124.8 102.1 73.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
37 38 GLU E t < T - 0 0 -67.9 155.0 179.9 -106.2 68.7 106.5 34 -2.3 0 0.0 0 0.0 0 0.0 9 27
38 39 ASN N t > T - 0 0 -84.6 126.4 180.0 -141.4 18.3 133.8 0 0.0 41 -1.6 0 0.0 0 0.0 7 18
39 40 PRO P T T 3 TS+ 0 0 -61.0 -21.3 177.4 55.9 103.8 44.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
40 41 GLU E T T 3 TS+ 0 0 -83.3 -14.2 -180.0 38.1 115.8 49.8 0 0.0 0 0.0 0 0.0 0 0.0 5 17
41 42 ASP D S t < TS- 0 0 -133.7 65.0 -179.5 -172.6 84.8 122.1 38 -1.6 0 0.0 0 0.0 0 0.0 7 25
42 43 PRO P + 0 0 -63.5 137.9 -178.0 171.1 14.7 109.7 0 0.0 0 0.0 0 0.0 0 0.0 11 40
43 44 LEU L + 0 0 -127.4 -3.9 -177.9 99.5 43.5 64.1 32 -0.5 105 -2.3 0 0.0 0 0.0 12 51
44 45 SER S E E ACE - 32 104 -96.9 127.7 177.8 -146.6 58.9 140.1 32 -2.2 32 -2.0 0 0.0 46 -0.6 12 60
45 46 ILE I E E AC + 31 0 -89.4 121.5 -176.9 161.0 36.9 143.2 103 -1.8 155 -1.5 0 0.0 0 0.0 14 71
46 47 VAL V E E ACD - 30 154 -136.6 169.9 174.9 -96.2 50.2 146.3 30 -2.4 30 -2.8 44 -0.6 48 -0.6 13 63
47 48 LYS K E E ACD - 29 153 -85.8 123.9 -176.5 -105.0 63.2 146.3 153 -2.6 153 -0.6 0 0.0 0 0.0 14 55
48 49 SER S e - 0 0 -60.9 137.9 175.9 -179.6 37.5 103.4 28 -3.3 0 0.0 46 -0.6 0 0.0 14 43
49 50 THR T S S S+ 0 0 -114.2 13.2 -179.7 56.1 84.3 82.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
50 51 ARG R S S S- 0 0 -135.5 28.3 179.4 -97.6 117.1 86.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
51 52 ASN N S S S+ 0 0 62.6 28.2 177.2 141.0 75.3 42.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
52 53 ILE I + 0 0 -98.1 142.7 177.8 179.3 25.1 141.6 0 0.0 28 -0.6 0 0.0 0 0.0 10 33
53 54 MET M - 0 0 -145.9 89.7 -179.0 -160.5 11.4 134.8 0 0.0 0 0.0 0 0.0 0 0.0 12 42
54 55 TYR Y e - 0 0 -73.4 141.5 178.9 -125.4 16.9 118.3 29 -2.9 20 -0.5 0 0.0 0 0.0 12 50
55 56 ALA A E E AA - 19 0 -84.1 150.2 179.9 -161.6 26.3 124.0 0 0.0 82 -2.5 0 0.0 83 -0.7 13 48
56 57 THR T E E AAE - 18 81 -133.7 146.0 174.0 -129.2 17.9 164.0 18 -2.9 18 -2.9 0 0.0 0 0.0 13 52
57 58 SER S E E AAE - 17 80 -89.8 140.5 179.8 -154.7 22.5 143.0 80 -2.9 80 -2.0 0 0.0 59 -0.5 12 45
58 59 ILE I E E AAE + 16 79 -120.9 115.9 -176.4 170.8 22.1 169.8 16 -1.9 15 -2.8 0 0.0 16 -0.6 13 62
59 60 SER S E E A E - 0 78 -128.9 151.8 176.9 -101.0 39.6 160.4 78 -2.5 78 -2.7 57 -0.5 0 0.0 11 50
60 61 SER S E E A E - 0 77 -67.5 139.3 179.0 -137.8 27.5 115.4 0 0.0 0 0.0 0 0.0 0 0.0 14 41
61 62 GLU E S e S+ 0 0 -64.6 -40.5 179.0 74.9 90.4 25.6 76 -2.7 63 -0.5 0 0.0 0 0.0 8 40
62 63 ASP D - 0 0 -75.8 118.2 178.9 -177.7 60.5 129.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
63 64 LYS K + 0 0 -98.8 4.2 -179.9 127.0 35.8 64.0 61 -0.5 0 0.0 0 0.0 0 0.0 6 21
64 65 THR T - 0 0 -63.1 125.9 179.9 -82.1 68.8 111.5 0 0.0 0 0.0 0 0.0 0 0.0 5 15
65 66 PRO P S S S+ 0 0 -72.9 145.9 -0.3 49.8 113.8 119.1 0 0.0 0 0.0 0 0.0 0 0.0 4 13
66 67 PRO P S S S- 0 0 -84.0 130.5 -180.0 -166.8 81.5 65.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
67 68 GLN Q - 0 0 -77.9 152.2 179.7 -89.6 35.2 118.9 0 0.0 0 0.0 0 0.0 0 0.0 8 23
68 69 PRO P - 0 0 -63.0 138.3 178.9 -141.8 27.2 112.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
69 70 ARG R S S S+ 0 0 -67.6 -38.2 -178.7 35.5 83.4 24.9 0 0.0 14 -2.5 0 0.0 0 0.0 6 32
70 71 ASN N B B C S- 13 0 -120.5 158.6 179.6 -109.8 85.4 142.1 0 0.0 0 0.0 0 0.0 0 0.0 10 40
71 72 ILE I - 0 0 -84.9 129.6 -179.8 -163.1 37.7 133.8 12 -1.2 4 -2.5 0 0.0 0 0.0 14 51
72 73 LEU L B B A > T - 3 0 -112.9 159.4 178.4 -91.3 28.0 142.0 0 0.0 75 -1.4 0 0.0 0 0.0 10 44
73 74 GLU E T T 3 TS+ 0 0 -67.9 143.9 -179.7 16.0 111.4 112.4 2 -3.0 0 0.0 0 0.0 0 0.0 12 45
74 75 ASN N T T 3 TS+ 0 0 69.0 8.4 178.6 136.0 91.3 59.5 119 -2.3 0 0.0 0 0.0 0 0.0 8 40
75 76 MET M t < T - 0 0 -85.8 133.6 179.9 -108.4 63.6 133.8 72 -1.4 0 0.0 0 0.0 0 0.0 9 44
76 77 ARG R e - 0 0 -67.7 130.1 -176.2 -172.1 46.7 122.3 0 0.0 61 -2.7 0 0.0 0 0.0 10 48
77 78 LEU L E E AEF - 60 117 -127.6 160.6 175.1 -146.4 29.2 148.3 117 -2.7 117 -2.0 0 0.0 0 0.0 12 51
78 79 LYS K E E AE - 59 0 -119.9 133.1 -179.4 -161.9 23.2 161.9 59 -2.7 59 -2.5 0 0.0 0 0.0 12 53
79 80 ILE I E E AE + 58 0 -122.2 132.5 179.0 170.1 13.6 168.7 0 0.0 91 -2.7 0 0.0 0 0.0 11 58
80 81 ASN N E E AEG - 57 90 -141.8 149.8 179.0 -99.7 39.5 172.3 57 -2.0 57 -2.9 0 0.0 0 0.0 12 49
81 82 PHE F E E AE - 56 0 -67.4 137.3 -175.7 -162.4 28.8 119.4 89 -2.9 88 -3.0 0 0.0 0 0.0 14 47
82 83 ALA A e + 0 0 -97.6 -18.1 -178.2 47.1 61.6 49.2 55 -2.5 0 0.0 0 0.0 0 0.0 13 37
83 84 THR T S t > TS- 0 0 -123.7 171.6 176.5 -52.3 86.9 135.1 55 -0.7 86 -1.1 0 0.0 0 0.0 10 32
84 85 ASP D T T 3 TS+ 0 0 -67.8 155.4 0.3 38.8 107.1 117.3 0 0.0 0 0.0 0 0.0 0 0.0 5 25
85 86 PRO P T T 3 TS+ 0 0 -82.6 1.3 -177.4 21.6 137.4 174.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
86 87 HIS H S t X TS+ 0 0 -121.9 40.0 -179.2 169.2 78.1 96.4 83 -1.1 89 -2.4 0 0.0 0 0.0 8 38
87 88 LYS K T T 3 TS+ 0 0 -57.3 120.1 179.1 5.0 74.5 105.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
88 89 GLY G T T 3 TS+ 0 0 90.1 -12.9 179.3 143.1 88.2 74.3 81 -3.0 0 0.0 0 0.0 0 0.0 8 32
89 90 ASP D t < T - 0 0 -65.0 132.3 -177.2 -137.5 44.0 116.4 86 -2.4 81 -2.9 0 0.0 0 0.0 10 38
90 91 VAL V B e G - 80 0 -95.8 143.0 178.3 -116.7 10.6 132.3 0 0.0 106 -2.5 0 0.0 0 0.0 10 50
91 92 TRP W E E BF + 105 0 -74.3 141.1 178.7 173.1 41.6 122.8 79 -2.7 0 0.0 0 0.0 0 0.0 13 64
92 93 SER S E E BF - 104 0 -145.2 162.3 177.3 -124.0 31.4 160.7 104 -1.7 104 -2.1 0 0.0 0 0.0 10 56
93 94 VAL V E E BFG - 103 113 -110.7 127.4 -179.6 -167.5 25.0 161.8 113 -0.5 113 -3.2 0 0.0 0 0.0 13 54
94 95 VAL V E E BFG - 102 112 -116.6 130.5 178.7 -132.7 25.5 162.6 102 -2.6 96 -2.1 0 0.0 102 -1.7 14 43
95 96 ASP D E E BF - 101 0 -82.3 82.2 -174.6 -160.4 39.5 127.8 111 -2.8 97 -0.5 0 0.0 0 0.0 11 37
96 97 PHE F E E >BF T - 100 0 -76.1 113.9 179.1 -104.1 16.6 123.4 94 -2.1 100 -3.6 100 -1.6 0 0.0 9 36
97 98 GLN Q T T 4 TS- 0 0 -79.7 130.4 0.8 -5.8 94.8 128.2 95 -0.5 0 0.0 0 0.0 0 0.0 5 22
98 99 PRO P T T 4 TS+ 0 0 -105.5 12.9 -177.6 58.7 130.4 159.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
99 100 ASP D T T 4 TS- 0 0 -67.7 -47.2 -179.0 -126.8 94.1 29.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
100 101 GLY G E E T - 91 0 -67.0 136.7 -178.5 -109.2 59.2 120.6 43 -2.3 108 -0.7 0 0.0 0 0.0 12 53
106 107 ALA A T e 3 TS+ 0 0 -70.8 153.0 176.8 32.0 91.9 109.8 90 -2.5 0 0.0 0 0.0 0 0.0 11 38
107 108 GLY G T T 3 TS+ 0 0 81.6 12.3 -179.1 81.4 98.4 56.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
108 109 ARG R S t < TS+ 0 0 -112.8 -47.3 178.6 50.9 83.8 41.0 105 -0.7 0 0.0 0 0.0 0 0.0 6 32
109 110 TYR Y - 0 0 -94.5 142.1 -179.8 -145.6 68.9 138.7 0 0.0 0 0.0 0 0.0 0 0.0 7 36
110 111 PRO P S S S+ 0 0 -76.3 -28.5 -177.7 74.4 86.8 33.8 0 0.0 112 -1.4 0 0.0 0 0.0 6 21
111 112 ASN N e + 0 0 -83.4 52.2 179.3 151.7 64.9 104.9 0 0.0 95 -2.8 0 0.0 0 0.0 7 26
112 113 GLN Q E E BG - 94 0 -84.1 144.9 179.7 -130.5 41.9 124.9 110 -1.4 114 -0.5 0 0.0 0 0.0 10 35
113 114 VAL V E E BG - 93 0 -96.8 125.0 179.5 -128.1 19.8 146.2 93 -3.2 93 -0.5 0 0.0 0 0.0 9 39
114 115 LYS K e + 0 0 -73.7 133.6 -179.6 91.5 62.2 124.1 112 -0.5 136 -2.1 0 0.0 0 0.0 7 39
115 116 GLY G E E AH - 135 0 167.3 -173.0 -178.7 -105.0 61.0 164.2 0 0.0 0 0.0 0 0.0 0 0.0 8 44
116 117 ALA A E E AH - 134 0 -139.1 165.5 179.3 -112.3 24.8 152.7 134 -1.9 134 -3.3 0 0.0 0 0.0 12 48
117 118 PHE F E E AHF - 133 77 -98.0 151.1 175.6 -171.7 29.7 131.0 77 -2.0 77 -2.7 0 0.0 0 0.0 12 62
118 119 THR T E E AH - 132 0 -136.6 165.7 -179.4 -134.4 14.2 158.7 132 -1.8 132 -2.4 0 0.0 0 0.0 13 58
119 120 ILE I E E AH + 131 0 -125.1 139.7 177.2 171.3 22.6 164.3 0 0.0 74 -2.3 0 0.0 0 0.0 13 57
120 121 GLN Q E E AH - 130 0 -139.1 159.0 177.7 -76.6 48.9 159.3 130 -1.9 130 -2.5 0 0.0 0 0.0 11 46
121 122 LYS K E E AH - 129 0 -55.5 136.0 -177.6 -161.1 41.5 111.2 0 0.0 0 0.0 0 0.0 0 0.0 10 41
122 123 GLY G e - 0 0 -96.7 -26.3 179.4 -11.6 58.4 44.8 128 -2.3 0 0.0 0 0.0 0 0.0 11 40
123 124 SER S S S S- 0 0 -158.7 -178.0 179.6 -88.3 73.8 158.8 128 -0.7 0 0.0 0 0.0 0 0.0 8 27
124 125 ASN N S S S+ 0 0 -73.5 -22.6 177.8 98.3 97.7 40.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
125 126 THR T S t > TS- 0 0 -66.7 128.2 -179.9 -108.3 88.1 119.2 0 0.0 128 -1.0 0 0.0 0 0.0 6 24
126 127 PRO P T T 3 TS+ 0 0 -59.1 146.6 178.7 17.6 96.9 103.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
127 128 ARG R T T 3 TS+ 0 0 63.9 21.4 176.9 127.8 93.1 44.5 0 0.0 0 0.0 0 0.0 0 0.0 11 40
128 129 THR T e < T + 0 0 -108.7 137.5 -177.0 173.3 33.8 157.0 125 -1.0 122 -2.3 0 0.0 123 -0.7 13 44
129 130 TYR Y E E AHI - 121 166 -136.6 171.6 176.3 -142.8 23.9 146.5 166 -2.9 166 -3.1 0 0.0 0 0.0 12 51
130 131 LYS K E E AHI - 120 165 -134.3 156.3 -179.4 -128.1 20.2 158.7 120 -2.5 120 -1.9 0 0.0 0 0.0 14 61
131 132 LEU L E E AH - 119 0 -108.1 140.6 179.2 -171.4 22.4 148.9 164 -0.5 143 -1.4 0 0.0 0 0.0 13 68
132 133 LEU L E E AHJ - 118 142 -126.8 159.4 176.4 -138.8 16.6 150.2 118 -2.4 118 -1.8 0 0.0 0 0.0 13 55
133 134 PHE F E E AHJ - 117 141 -120.7 127.6 -177.9 -166.1 13.4 173.4 141 -2.6 141 -2.9 0 0.0 0 0.0 13 56
134 135 CYS C E E AH - 116 0 -117.3 97.8 179.8 -155.3 9.4 152.1 116 -3.3 116 -1.9 0 0.0 0 0.0 12 44
135 136 PRO P E E AH > T - 115 0 -68.0 155.7 179.3 -85.6 38.1 109.1 0 0.0 138 -1.5 0 0.0 0 0.0 11 38
136 137 VAL V T e 3 TS+ 0 0 -65.8 127.6 179.7 2.4 112.0 118.3 114 -2.1 0 0.0 0 0.0 0 0.0 7 25
137 138 GLY G T T 3 TS+ 0 0 67.8 30.6 -178.7 91.0 116.4 43.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
138 139 SER S S t < TS- 0 0 -151.2 155.1 179.7 -90.8 82.2 165.4 135 -1.5 0 0.0 0 0.0 0 0.0 6 22
139 140 PRO P - 0 0 -64.7 157.7 -179.1 -96.2 54.2 109.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
140 141 CYS C - 0 0 -77.7 151.1 -179.4 -150.1 35.3 114.7 0 0.0 0 0.0 0 0.0 0 0.0 9 38
141 142 LYS K E E AJ - 133 0 -121.0 154.1 179.4 -110.4 17.1 149.1 133 -2.9 133 -2.6 0 0.0 0 0.0 12 44
142 143 ASN N E E AJK - 132 158 -80.5 155.2 176.2 -133.4 21.1 114.8 158 -1.5 158 -2.2 0 0.0 144 -0.6 15 43
143 144 ILE I E E A K + 0 157 -110.3 119.8 -179.6 153.0 41.2 163.6 131 -1.4 164 -2.2 0 0.0 0 0.0 16 55
144 145 GLY G E E A K - 0 156 -131.6 -169.0 -179.0 -88.9 40.8 131.9 156 -2.6 156 -2.6 142 -0.6 0 0.0 12 53
145 146 ILE I E E A K - 0 155 -110.6 145.1 176.4 -178.9 28.2 144.6 0 0.0 0 0.0 0 0.0 0 0.0 13 52
146 147 SER S E E A K - 0 154 -142.8 122.1 -179.4 -138.0 22.3 164.4 154 -1.9 154 -1.8 0 0.0 0 0.0 8 38
147 148 THR T E E A K - 0 153 -84.5 126.9 179.2 -147.7 19.4 135.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
148 149 ASP D e > T - 0 0 -85.8 173.7 -179.4 -90.8 34.3 109.2 152 -2.3 151 -2.3 0 0.0 0 0.0 8 31
149 150 PRO P T T 3 TS+ 0 0 -55.8 -26.1 179.9 52.7 127.6 42.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
150 151 GLU E T T 3 TS- 0 0 -89.4 -1.9 178.8 -105.8 121.6 65.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
151 152 GLY G t < T + 0 0 91.6 9.1 179.2 144.8 69.5 56.3 148 -2.3 0 0.0 0 0.0 0 0.0 6 23
152 153 LYS K e - 0 0 -83.2 140.8 -179.4 -131.7 49.9 126.2 0 0.0 148 -2.3 0 0.0 154 -1.2 12 39
153 154 LYS K E E ADK - 47 147 -94.4 83.4 -178.6 -163.9 29.5 133.0 47 -0.6 47 -2.6 0 0.0 0 0.0 12 47
154 155 ARG R E E ADK - 46 146 -68.7 144.0 177.8 -125.0 19.8 108.3 146 -1.8 146 -1.9 152 -1.2 156 -0.7 14 54
155 156 LEU L E E A K - 0 145 -91.3 112.9 -178.7 -174.0 38.4 148.0 45 -1.5 103 -2.5 0 0.0 0 0.0 13 60
156 157 VAL V E E AHK - 102 144 -111.5 156.4 -178.5 -137.4 18.8 142.5 144 -2.6 144 -2.6 154 -0.7 158 -0.5 13 55
157 158 VAL V E E A K + 0 143 -118.0 120.1 176.8 127.5 40.8 161.5 101 -2.7 0 0.0 0 0.0 0 0.0 16 54
158 159 SER S E E A K> T - 0 142 -163.8 158.3 178.7 -114.8 63.3 168.8 142 -2.2 142 -1.5 156 -0.5 161 -0.8 10 37
159 160 TYR Y T T 3 TS+ 0 0 -61.8 -32.0 -176.2 46.1 118.8 34.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
160 161 GLN Q T T 3 TS+ 0 0 -96.1 0.6 179.5 119.8 81.4 64.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
161 162 SER S S t < TS- 0 0 -69.3 137.5 177.1 -120.1 70.2 115.4 158 -0.8 0 0.0 0 0.0 0 0.0 12 31
162 163 ASP D - 0 0 -75.1 118.6 -179.1 -108.7 45.0 135.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
163 164 PRO P - 0 0 -54.5 136.4 177.1 -125.4 20.3 102.5 0 0.0 165 -0.5 0 0.0 0 0.0 11 43
164 165 LEU L e - 0 0 -81.4 123.4 179.9 -142.7 27.6 139.0 143 -2.2 166 -0.5 0 0.0 131 -0.5 10 54
165 166 VAL V E E A I + 0 130 -93.8 130.5 -176.9 173.1 29.3 145.3 163 -0.5 23 -2.6 0 0.0 0 0.0 13 47
166 167 VAL V E E ABI - 22 129 -132.1 172.6 176.0 -141.9 28.6 139.9 129 -3.1 129 -2.9 164 -0.5 0 0.0 12 54
167 168 LYS K E E AB - 21 0 -130.8 149.7 179.0 -130.1 22.1 159.3 21 -2.2 21 -2.5 0 0.0 169 -0.6 13 52
168 169 PHE F E E AB - 20 0 -107.6 119.0 179.0 -160.0 17.7 158.1 0 0.0 7 -3.2 0 0.0 170 -0.5 11 60
169 170 HIS H E E AB - 19 0 -100.7 124.6 -179.0 -118.2 25.0 150.9 19 -2.5 19 -2.8 167 -0.6 0 0.0 11 41
170 171 ARG R E E AB 18 0 -61.0 131.2 -179.1 999.9 999.9 113.7 168 -0.5 0 0.0 0 0.0 0 0.0 9 36
171 172 HIS H e 0 0 -128.5 999.9 999.9 999.9 999.9 170.0 17 -2.5 0 0.0 0 0.0 0 0.0 6 33
1wba-.pdb
1WBA SEED STORAGE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B B TTS B BTTEEEEEEETTT BEEEE TT TTS EEEE SSS EEEEEES SS SB BTT EEEEE STTSTT BEEEEEETTTE Kabs/Sand
chirality -----+-+----++-+-----++-+--+-+----+--++-++-+---+-++-----+--+-+-+---+---++----+--+-+++++--+------+-- chirality
bends SSS SS SSS SS SSS SSS S SS SS SS SSSSSS SSS bends
turns TTTT TTTT TTTTT TTTTTTTT TTTT TTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33<>33< >33< >33X33< 3-turns
bridge-2 BBBBB E DD EEEEE F G GG bridge-2
bridge-1 A B B C AAAA D DCCCC CCCC AAAA C A EEEEE GFFFFFF F bridge-1
sheets AAAAAAA AAAA AAAA AAAAAA AAAAA BBBBBB B sheets
4-turns >444< >444< 4-turns
summary B BtTTt B BTTEEEEEEEeTTt eEEEE tTTttTTt EEEEeSSS eEEEEEEe SS SB BTTteEEEEEetTTtTTteEEEEEETTTE summary
sequence DDPVYDAEGNKLVNRGKYTIVSFSDGAGIDVVATGNENPEDPLSIVKSTRNIMYATSISSEDKTPPQPRNILENMRLKINFATDPHKGDVWSVVDFQPDG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEETTS S EE EEEEEEE SSSTT EEEEEEETTS EEEEEEE TT EEEEEETTS EEEEEE Kabs/Sand
chirality +-+--+++-++--+----+----+-+++-------++-----+-----+-+-----+-++----+---- chirality
bends S SSS S SSSSS SSS SS SSS bends
turns TTTT TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 H E F II JJ KKKKKK KKKKKK II bridge-2
bridge-1 FFFFF GG HHHHHHH HHHHHHH JJ DD H BBBBB bridge-1
sheets BBBBB BB AAAAAAA AAAAAAA AAAAAAA AAAAAA AAAAAA sheets
4-turns 4-turns
summary EEEEEeTt SeEEeEEEEEEEeSStTTeEEEEEEEeTt EEEEEEEeTTteEEEEEETTt eEEEEEEe summary
sequence QQLKLAGRYPNQVKGAFTIQKGSNTPRTYKLLFCPVGSPCKNIGISTDPEGKKRLVVSYQSDPLVVKFHRH sequence
110 120 130 140 150 160 170