Secondary structure calculation program - copyright by David Keith Smith, 1989
1k1gA.pdb
1K1G GENE REGULATION/RNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 122
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 134 THR T 0 0 999.9 88.2 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
2 A 135 ARG R - 0 0 -136.7 139.3 179.9 -146.7 999.9 175.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22
3 A 136 VAL V E E AA - 76 0 -105.2 145.8 -179.5 -154.9 11.9 143.2 76 -1.3 76 -1.7 0 0.0 0 0.0 10 28
4 A 137 SER S E E AA + 75 0 -122.8 145.8 179.7 159.2 20.2 158.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34
5 A 138 ASP D E E AA - 74 0 -166.8 109.0 -179.6 -168.4 14.2 135.7 74 -1.4 74 -1.2 0 0.0 0 0.0 10 40
6 A 139 LYS K E E AA - 73 0 -99.0 162.6 179.0 -120.9 22.5 126.7 0 0.0 8 -0.6 0 0.0 0 0.0 10 47
7 A 140 VAL V E E AA - 72 0 -107.3 121.2 -179.3 -134.5 23.2 155.3 72 -0.9 72 -1.3 0 0.0 0 0.0 12 52
8 A 141 MET M E E AA - 71 0 -77.0 127.6 179.3 -148.3 16.8 126.5 6 -0.6 0 0.0 0 0.0 0 0.0 7 44
9 A 142 ILE I e - 0 0 -97.3 139.1 -179.5 -111.0 25.0 140.4 70 -1.7 11 -2.8 0 0.0 0 0.0 11 46
10 A 143 PRO P t > > T + 0 0 -68.0 70.5 179.9 158.7 51.2 110.9 0 0.0 14 -2.1 0 0.0 13 -1.4 8 37
11 A 144 GLN Q T T 4 3 T + 0 0 -72.1 -4.9 179.3 78.1 61.8 57.1 9 -2.8 0 0.0 0 0.0 0 0.0 9 33
12 A 145 ASP D T T 4 3 TS+ 0 0 -73.3 -26.5 179.5 1.9 121.1 38.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
13 A 146 GLU E T T 4 < TS+ 0 0 -122.8 -57.1 179.3 48.4 132.5 49.7 10 -1.4 0 0.0 0 0.0 0 0.0 5 19
14 A 147 TYR Y t < T - 0 0 -91.5 143.3 179.7 -146.1 68.0 133.4 10 -2.1 0 0.0 0 0.0 0 0.0 8 28
15 A 148 PRO P - 0 0 -69.8 -69.2 179.8 -68.7 63.2 3.9 0 0.0 0 0.0 0 0.0 0 0.0 8 37
16 A 149 GLU E S h > > TS+ 0 0 -164.8 -13.5 179.3 160.8 75.4 74.3 0 0.0 20 -1.7 0 0.0 19 -1.3 13 43
17 A 150 ILE I H H > > TS- 0 0 14.4 -135.4 -179.5 -23.2 75.6 66.4 0 0.0 21 -0.9 0 0.0 20 -0.8 7 45
18 A 151 ASN N H H > 3>TS+ 0 0 -81.5 12.5 178.3 96.9 116.5 71.9 0 0.0 22 -2.3 0 0.0 23 -0.7 9 57
19 A 152 PHE F H H > <5TS+ 0 0 -65.5 -44.3 176.2 30.6 96.9 16.2 16 -1.3 23 -1.2 0 0.0 0 0.0 12 60
20 A 153 VAL V H H X <5TS+ 0 0 -77.2 -38.8 179.1 50.2 125.4 28.3 16 -1.7 24 -1.0 17 -0.8 0 0.0 12 60
21 A 154 GLY G H H X >5TS+ 0 0 -60.6 -70.9 179.4 38.2 114.6 5.1 17 -0.9 25 -2.5 0 0.0 24 -1.8 8 58
22 A 155 LEU L H H < 35TS+ 0 0 -47.6 -45.3 180.0 55.6 115.3 29.2 18 -2.3 0 0.0 0 0.0 0 0.0 13 56
23 A 156 LEU L H H < 3 TS+ 0 0 154.1 47.7 -179.9 151.6 81.0 69.1 26 -1.6 32 -2.8 0 0.0 0 0.0 9 39
29 A 162 ASN N H H > TS+ 0 0 -60.2 -52.7 -180.0 43.1 84.4 17.5 0 0.0 33 -2.4 0 0.0 0 0.0 10 37
30 A 163 THR T H H > TS+ 0 0 -62.6 -35.2 180.0 52.3 115.1 32.2 24 -1.5 34 -2.0 0 0.0 0 0.0 10 52
31 A 164 LEU L H H > TS+ 0 0 -65.1 -57.8 -179.4 36.7 115.7 12.5 24 -1.8 35 -1.5 0 0.0 0 0.0 13 52
32 A 165 LYS K H H X TS+ 0 0 -65.8 -30.4 -180.0 61.0 113.8 36.3 28 -2.8 36 -2.0 0 0.0 0 0.0 10 36
33 A 166 ASN N H H X > TS+ 0 0 -60.7 -60.3 179.3 36.5 110.4 10.1 29 -2.4 37 -1.1 0 0.0 36 -0.6 8 37
34 A 167 ILE I H H X 3 TS+ 0 0 -63.4 -25.9 179.4 60.3 114.8 38.5 30 -2.0 38 -1.5 0 0.0 40 -0.8 13 45
35 A 168 GLU E H H < 3 TS+ 0 0 -69.3 -36.3 179.9 42.2 108.1 30.8 31 -1.5 0 0.0 0 0.0 0 0.0 11 42
36 A 169 LYS K H H < < TS+ 0 0 -84.2 -15.0 -179.5 55.5 115.1 51.6 32 -2.0 0 0.0 33 -0.6 0 0.0 8 26
37 A 170 GLU E H H < TS+ 0 0 -79.7 -76.6 -179.3 6.3 128.3 14.1 33 -1.1 0 0.0 0 0.0 0 0.0 8 30
38 A 171 CYS C S h < TS- 0 0 -96.8 22.0 179.9 -107.3 105.4 84.7 34 -1.5 0 0.0 0 0.0 0 0.0 11 32
39 A 172 ASN N + 0 0 52.5 51.8 -179.7 153.4 69.8 20.7 0 0.0 0 0.0 0 0.0 0 0.0 11 35
40 A 173 ALA A - 0 0 -105.1 174.7 179.7 -129.2 44.2 121.3 34 -0.8 0 0.0 0 0.0 0 0.0 15 43
41 A 174 LYS K E E AB - 75 0 -130.4 106.8 -179.3 -157.1 17.5 158.0 75 -2.0 75 -2.1 0 0.0 0 0.0 12 45
42 A 175 ILE I E E AB + 74 0 -87.9 127.9 179.8 155.3 24.4 135.8 0 0.0 0 0.0 0 0.0 0 0.0 12 56
43 A 176 MET M E E AB - 73 0 -155.0 101.7 -179.5 -148.4 29.3 139.9 73 -1.7 73 -1.7 0 0.0 0 0.0 8 50
44 A 177 ILE I E E AB - 72 0 -75.6 128.0 179.9 -168.6 17.6 124.8 0 0.0 0 0.0 0 0.0 0 0.0 12 58
45 A 178 ARG R E E AB + 71 0 -120.8 138.5 -179.9 45.3 40.8 161.6 71 -2.8 71 -2.0 0 0.0 0 0.0 13 43
46 A 179 GLY G E E AB S- 70 0 137.2 -155.1 179.8 -28.4 99.3 163.6 0 0.0 0 0.0 0 0.0 0 0.0 13 39
47 A 180 LYS K S e S+ 0 0 -61.3 -89.2 179.4 25.5 130.7 14.9 69 -1.3 49 -1.7 0 0.0 0 0.0 11 40
48 A 181 GLY G S S S+ 0 0 -81.0 84.5 -179.0 99.3 96.0 126.1 0 0.0 0 0.0 0 0.0 0 0.0 13 48
49 A 182 SER S S S S+ 0 0 -132.4 -47.6 -179.0 32.4 82.3 54.1 47 -1.7 0 0.0 0 0.0 0 0.0 13 55
50 A 183 VAL V S S S- 0 0 -111.3 39.0 178.5 -105.7 106.4 97.8 0 0.0 0 0.0 0 0.0 0 0.0 7 44
51 A 184 LYS K S S S+ 0 0 41.6 44.8 179.8 129.1 83.5 31.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
52 A 185 GLU E S S S+ 0 0 -102.5 -7.8 179.9 26.3 79.8 60.8 0 0.0 0 0.0 0 0.0 0 0.0 13 29
53 A 186 GLY G S S S+ 0 0 -135.8 7.4 -179.9 77.8 110.8 74.6 0 0.0 0 0.0 0 0.0 0 0.0 10 31
54 A 187 LYS K S S S- 0 0 -102.3 -160.9 -179.8 -84.9 81.8 98.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
55 A 188 VAL V S S S+ 0 0 -101.4 -177.6 180.0 50.5 92.6 112.0 0 0.0 57 -1.4 0 0.0 0 0.0 7 20
56 A 189 GLY G S S S+ 0 0 88.8 -62.1 -179.8 58.8 103.2 115.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
57 A 190 ARG R S S S- 0 0 -87.6 -169.7 179.9 -68.9 101.5 95.2 55 -1.4 0 0.0 0 0.0 0 0.0 7 17
58 A 191 LYS K - 0 0 -83.0 154.4 -179.9 -119.6 48.3 118.8 0 0.0 0 0.0 0 0.0 0 0.0 6 14
59 A 192 ASP D + 0 0 -90.1 164.4 180.0 107.0 57.9 117.5 0 0.0 0 0.0 0 0.0 0 0.0 8 17
60 A 193 GLY G - 0 0 127.6 95.4 -179.9 -118.3 61.7 67.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
61 A 194 GLN Q + 0 0 -59.1 124.7 -179.9 160.2 40.8 111.2 0 0.0 0 0.0 0 0.0 0 0.0 7 21
62 A 195 MET M + 0 0 -115.2 -36.6 -180.0 54.1 58.9 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 20
63 A 196 LEU L S S S- 0 0 -106.0 140.6 -180.0 -94.7 97.1 147.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
64 A 197 PRO P - 0 0 -52.2 132.6 -180.0 -175.7 36.0 102.2 0 0.0 0 0.0 0 0.0 0 0.0 7 20
65 A 198 GLY G + 0 0 -128.8 49.3 -180.0 76.6 63.3 106.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
66 A 199 GLU E S S S+ 0 0 -133.0 -5.2 -179.9 42.2 95.6 68.8 0 0.0 0 0.0 0 0.0 0 0.0 7 19
67 A 200 ASP D S S S+ 0 0 -106.0 -75.7 -179.9 60.7 98.2 38.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
68 A 201 GLU E - 0 0 -61.1 122.7 -179.5 -158.0 66.5 113.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
69 A 202 PRO P e - 0 0 -65.4 -73.2 -179.8 -60.6 55.9 0.4 0 0.0 47 -1.3 0 0.0 0 0.0 10 33
70 A 203 LEU L E E A B S+ 0 46 177.5 86.5 -179.0 138.0 76.9 108.0 0 0.0 9 -1.7 0 0.0 0 0.0 14 49
71 A 204 HIS H E E AAB - 8 45 -140.3 153.0 179.2 -127.2 47.2 168.1 45 -2.0 45 -2.8 0 0.0 73 -0.8 13 49
72 A 205 ALA A E E AAB - 7 44 -104.3 98.3 -179.4 -147.8 25.9 146.7 7 -1.3 7 -0.9 0 0.0 0 0.0 13 59
73 A 206 LEU L E E AAB - 6 43 -68.3 117.1 179.5 -171.2 16.1 121.0 43 -1.7 43 -1.7 71 -0.8 75 -0.6 13 48
74 A 207 VAL V E E AAB - 5 42 -116.4 115.3 -179.1 -169.8 3.4 161.0 5 -1.2 5 -1.4 0 0.0 0 0.0 15 52
75 A 208 THR T E E AAB + 4 41 -97.1 172.6 179.9 146.6 15.2 116.3 41 -2.1 41 -2.0 73 -0.6 0 0.0 13 39
76 A 209 ALA A E E AA - 3 0 -174.9 -161.4 -180.0 -93.5 52.8 155.8 3 -1.7 3 -1.3 0 0.0 0 0.0 14 36
77 A 210 ASN N S S S+ 0 0 -106.2 -42.0 -179.9 28.0 100.0 39.4 0 0.0 0 0.0 0 0.0 0 0.0 11 27
78 A 211 THR T S h > TS- 0 0 -125.1 150.5 -179.7 -125.3 72.0 156.6 0 0.0 82 -2.1 0 0.0 0 0.0 9 23
79 A 212 MET M H H > TS+ 0 0 -60.8 -29.1 -179.8 59.1 110.6 37.6 0 0.0 83 -1.4 0 0.0 0 0.0 9 25
80 A 213 GLU E H H > TS+ 0 0 -65.3 -53.5 -179.9 43.0 107.1 16.1 0 0.0 84 -1.8 0 0.0 0 0.0 6 26
81 A 214 ASN N H H > TS+ 0 0 -58.2 -51.2 179.9 46.3 117.0 19.5 0 0.0 85 -1.9 0 0.0 0 0.0 12 31
82 A 215 VAL V H H X TS+ 0 0 -62.7 -27.3 -179.9 62.8 107.5 38.5 78 -2.1 86 -2.6 0 0.0 0 0.0 18 38
83 A 216 LYS K H H X TS+ 0 0 -61.9 -63.4 179.9 37.2 107.4 8.5 79 -1.4 87 -2.0 0 0.0 0 0.0 9 33
84 A 217 LYS K H H X TS+ 0 0 -57.8 -36.2 179.3 56.7 116.4 29.9 80 -1.8 88 -1.7 0 0.0 0 0.0 9 35
85 A 218 ALA A H H X TS+ 0 0 -60.6 -47.7 179.5 45.2 108.1 20.8 81 -1.9 89 -1.8 0 0.0 0 0.0 12 43
86 A 219 VAL V H H X TS+ 0 0 -65.9 -30.1 179.7 66.5 104.6 35.5 82 -2.6 90 -2.0 0 0.0 0 0.0 12 51
87 A 220 GLU E H H X TS+ 0 0 -55.3 -56.2 179.5 40.2 104.9 16.4 83 -2.0 91 -1.6 0 0.0 0 0.0 8 40
88 A 221 GLN Q H H X TS+ 0 0 -59.7 -43.9 179.6 59.5 110.5 23.4 84 -1.7 92 -1.0 0 0.0 0 0.0 8 46
89 A 222 ILE I H H X > TS+ 0 0 -53.1 -36.5 179.1 51.8 104.1 30.9 85 -1.8 93 -2.0 0 0.0 92 -0.5 10 58
90 A 223 ARG R H H X 3>TS+ 0 0 -68.3 -39.4 179.0 61.4 99.6 26.4 86 -2.0 94 -1.3 0 0.0 95 -0.8 10 44
91 A 224 ASN N H H < 35TS+ 0 0 -57.2 -22.7 -179.9 45.0 110.1 40.3 87 -1.6 0 0.0 0 0.0 0 0.0 9 44
92 A 225 ILE I H H X <5TS+ 0 0 -87.3 -45.9 -179.3 27.0 125.4 28.4 88 -1.0 96 -1.3 89 -0.5 0 0.0 12 55
93 A 226 LEU L H H < 5TS+ 0 0 -81.3 -62.6 -179.7 56.2 115.9 15.4 89 -2.0 0 0.0 0 0.0 0 0.0 12 54
94 A 227 LYS K T h < 5TS+ 0 0 -37.7 -43.6 179.1 25.8 127.0 33.0 90 -1.3 0 0.0 0 0.0 0 0.0 8 44
95 A 228 GLN Q T T 4 > T - 0 0 -60.2 -175.3 -179.9 -84.7 45.5 80.3 0 0.0 103 -1.2 0 0.0 0 0.0 7 21
101 A 234 GLU E T T 3 TS+ 0 0 -66.6 -22.4 180.0 81.8 118.0 43.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
102 A 235 ASP D T T 3 TS- 0 0 -51.1 -36.5 179.6 -13.8 123.2 32.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
103 A 236 GLN Q S t < TS+ 0 0 -127.5 -84.5 179.6 152.2 70.9 62.0 100 -1.2 105 -2.3 0 0.0 0 0.0 8 19
104 A 237 ASN N S g > TS+ 0 0 74.2 -49.3 179.2 65.3 77.4 103.8 0 0.0 107 -1.2 0 0.0 0 0.0 9 21
105 A 238 ASP D G G > TS+ 0 0 -70.0 -32.9 179.2 50.6 100.5 31.9 103 -2.3 108 -0.6 0 0.0 0 0.0 5 17
106 A 239 LEU L G G > > TS+ 0 0 -90.7 23.0 179.9 112.6 76.2 85.4 0 0.0 109 -1.1 0 0.0 110 -0.5 8 29
107 A 240 ARG R G G 4 < TS+ 0 0 -64.2 -28.9 179.8 46.8 80.5 36.3 104 -1.2 0 0.0 0 0.0 0 0.0 12 31
108 A 241 LYS K G G 4 X TS+ 0 0 -90.2 -4.3 179.8 87.6 89.2 61.9 105 -0.6 111 -1.6 0 0.0 0 0.0 8 35
109 A 242 MET M G G > X TS+ 0 0 -63.9 -30.0 179.6 70.1 73.6 35.7 106 -1.1 113 -1.5 0 0.0 112 -1.5 7 36
110 A 243 GLN Q G G < 3 TS+ 0 0 -61.2 -15.6 178.8 45.9 102.7 45.5 106 -0.5 0 0.0 0 0.0 0 0.0 12 45
111 A 244 LEU L G h > < TS+ 0 0 -101.1 -10.9 179.3 64.9 102.6 58.8 108 -1.6 115 -2.0 0 0.0 0 0.0 8 40
112 A 245 ARG R H H > < TS+ 0 0 -81.4 -30.3 178.7 66.7 88.4 36.9 109 -1.5 116 -2.1 0 0.0 0 0.0 11 31
113 A 246 GLU E H H < TS+ 0 0 -55.2 -40.4 179.6 30.6 115.3 26.4 109 -1.5 0 0.0 0 0.0 0 0.0 9 39
114 A 247 LEU L H H > TS+ 0 0 -84.6 -42.2 -179.2 52.4 121.4 31.3 0 0.0 118 -2.1 0 0.0 0 0.0 12 33
115 A 248 ALA A H H < >TS+ 0 0 -59.2 -66.5 -179.8 43.7 110.3 8.6 111 -2.0 120 -2.1 0 0.0 121 -0.8 11 27
116 A 249 ARG R T h < 5TS+ 0 0 -54.0 -18.5 -179.7 58.2 113.7 45.6 112 -2.1 0 0.0 0 0.0 0 0.0 9 20
117 A 250 LEU L T T 4 5TS+ 0 0 -78.8 -45.9 -179.7 26.8 117.4 24.7 0 0.0 0 0.0 0 0.0 0 0.0 9 22
118 A 251 ASN N T T < 5TS- 0 0 -104.9 23.5 179.8 -100.2 118.2 86.5 114 -2.1 0 0.0 0 0.0 0 0.0 7 18
119 A 252 GLY G T T 5TS+ 0 0 71.6 5.1 -179.9 127.7 89.6 57.0 0 0.0 0 0.0 0 0.0 0 0.0 6 14
120 A 253 THR T t 5555< >5555< 5-turns
3-turns >33< >>3<<>33< >33< >33< >33< > 3-turns
bridge-2 BBBBBB bridge-2
bridge-1 AAAAAA BBBBBB AAAAAA bridge-1
sheets AAAAAA AAAAAA AAAAAAA sheets
4-turns >444< >>>>XX<<<< >>>>XXX<<<< >>>>XXXXXXXXX5555< 5-turns
3-turns 33<>>>44><>><><<4< 4-turns
summary TTtgGGGGGGhHHHHhTTTt summary
sequence EDQNDLRKMQLRELARLNGTLR sequence
110 120