Secondary structure calculation program - copyright by David Keith Smith, 1989
1hg4A.pdb
1HG4 NUCLEAR HORMONE RECEPTOR MOL_ID: 1; MOL_ID: 1;
Sequence length - 240
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 238 PHE F 0 0 999.9 77.2 -178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
2 A 239 SER S h > > T - 0 0 -135.5 162.6 178.7 -105.6 999.9 153.6 0 0.0 6 -2.0 0 0.0 5 -0.6 7 36
3 A 240 ILE I H H > 3 TS+ 0 0 -56.0 -35.0 -179.8 56.8 122.5 31.0 0 0.0 7 -2.4 0 0.0 0 0.0 12 40
4 A 241 GLU E H H > 3 TS+ 0 0 -65.0 -37.0 -179.2 48.0 106.1 30.2 0 0.0 8 -2.1 0 0.0 0 0.0 6 32
5 A 242 ARG R H H > < TS+ 0 0 -73.6 -32.0 179.2 48.6 112.8 33.8 2 -0.6 9 -1.3 0 0.0 0 0.0 10 33
6 A 243 ILE I H H X TS+ 0 0 -74.2 -35.7 179.2 51.7 110.1 30.4 2 -2.0 10 -1.7 0 0.0 0 0.0 14 47
7 A 244 ILE I H H X TS+ 0 0 -65.3 -44.6 -179.4 55.0 105.9 21.8 3 -2.4 11 -2.6 0 0.0 0 0.0 10 40
8 A 245 GLU E H H X TS+ 0 0 -57.5 -38.6 179.5 53.1 105.3 30.4 4 -2.1 12 -2.5 0 0.0 0 0.0 8 33
9 A 246 ALA A H H X TS+ 0 0 -62.8 -48.5 -179.5 45.2 111.2 19.8 5 -1.3 13 -2.3 0 0.0 0 0.0 12 43
10 A 247 GLU E H H X TS+ 0 0 -59.4 -55.0 -178.6 45.5 116.1 15.4 6 -1.7 14 -1.7 0 0.0 0 0.0 10 50
11 A 248 GLN Q H H X TS+ 0 0 -57.5 -48.5 -179.9 45.4 114.9 25.5 7 -2.6 15 -0.9 0 0.0 0 0.0 8 36
12 A 249 ARG R H H X > TS+ 0 0 -65.4 -40.0 -179.9 52.8 111.2 25.5 8 -2.5 16 -2.3 0 0.0 15 -0.7 10 32
13 A 250 ALA A H H X 3 TS+ 0 0 -63.2 -31.0 -179.1 54.7 107.7 32.1 9 -2.3 17 -0.5 0 0.0 0 0.0 12 42
14 A 251 GLU E H H < 3 TS+ 0 0 -75.7 -21.8 -178.4 29.1 119.0 44.5 10 -1.7 0 0.0 0 0.0 0 0.0 8 45
15 A 252 THR T H H < < TS+ 0 0 -114.9 -17.0 -177.3 56.2 112.8 49.5 11 -0.9 0 0.0 12 -0.7 0 0.0 7 30
16 A 253 GLN Q H H < TS+ 0 0 -97.3 -3.1 -179.0 69.3 90.7 60.6 12 -2.3 0 0.0 0 0.0 0 0.0 9 30
17 A 254 CYS C S h < > TS- 0 0 -90.2 -9.3 -179.0 -171.9 73.8 53.5 13 -0.5 20 -2.1 0 0.0 0 0.0 12 37
18 A 255 GLY G T T 3 T - 0 0 58.1 -123.5 -179.6 -23.0 66.7 111.5 0 0.0 0 0.0 0 0.0 0 0.0 5 28
19 A 256 ASP D T T 3 TS+ 0 0 -103.4 6.3 179.5 131.6 96.6 72.8 0 0.0 0 0.0 0 0.0 0 0.0 5 29
20 A 257 ARG R t < T - 0 0 -59.7 145.5 -178.2 -175.4 35.7 106.5 17 -2.1 0 0.0 0 0.0 0 0.0 7 37
21 A 258 ALA A - 0 0 -149.7 150.8 177.4 -130.8 35.3 175.8 0 0.0 23 -0.8 0 0.0 0 0.0 11 40
22 A 259 LEU L - 0 0 -98.3 106.7 -177.9 -144.0 32.5 153.6 49 -3.1 24 -1.7 0 0.0 0 0.0 9 52
23 A 260 THR T + 0 0 -79.7 83.8 178.3 129.4 54.1 122.3 21 -0.8 0 0.0 0 0.0 0 0.0 9 40
24 A 261 PHE F + 0 0 -99.4 -40.3 179.6 56.5 63.1 38.6 22 -1.7 221 -2.5 0 0.0 0 0.0 10 49
25 A 262 LEU L B B A + 220 0 -94.8 149.4 178.7 133.1 63.5 133.4 0 0.0 0 0.0 0 0.0 0 0.0 11 51
26 A 263 ARG R - 0 0 174.2 150.1 -178.9 -107.1 52.0 146.1 219 -3.3 28 -0.6 0 0.0 0 0.0 11 42
27 A 264 VAL V + 0 0 -96.4 123.0 179.8 175.9 40.7 145.0 0 0.0 0 0.0 0 0.0 0 0.0 14 37
28 A 265 GLY G t > T - 0 0 -115.3 179.1 -179.9 -82.9 50.7 127.5 26 -0.6 31 -2.1 0 0.0 0 0.0 6 33
29 A 266 PRO P T T 3 TS+ 0 0 -62.4 -1.7 -180.0 53.8 127.9 59.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
30 A 267 TYR Y T T 3 TS+ 0 0 -114.2 7.2 179.7 118.7 79.9 72.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
31 A 268 SER S t < T - 0 0 -76.6 136.7 179.6 -130.6 67.9 122.7 28 -2.1 33 -1.8 0 0.0 0 0.0 9 30
32 A 269 THR T + 0 0 -85.2 57.6 -180.0 118.7 69.8 111.2 217 -1.9 0 0.0 0 0.0 0 0.0 7 29
33 A 270 VAL V S S S- 0 0 -126.2 128.7 178.8 -112.1 70.9 171.7 31 -1.8 0 0.0 0 0.0 0 0.0 8 34
34 A 271 GLN Q g > T - 0 0 -56.9 143.5 179.9 -118.5 29.9 106.6 0 0.0 37 -1.7 0 0.0 0 0.0 6 23
35 A 272 PRO P G G > TS+ 0 0 -52.8 -41.3 -179.8 59.4 111.6 30.2 0 0.0 38 -1.6 0 0.0 0 0.0 5 20
36 A 273 ASP D G G 3 TS+ 0 0 -64.3 -18.0 -180.0 47.2 107.9 46.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
37 A 274 TYR Y G h > < TS+ 0 0 -110.0 18.4 179.1 96.4 81.8 77.8 34 -1.7 41 -1.9 0 0.0 0 0.0 8 26
38 A 275 LYS K H H > < TS+ 0 0 -71.2 -44.4 179.2 53.1 82.0 22.6 35 -1.6 42 -2.9 0 0.0 0 0.0 10 28
39 A 276 GLY G H H > TS+ 0 0 -54.2 -51.2 -179.4 46.4 111.9 18.0 0 0.0 43 -1.6 0 0.0 0 0.0 7 23
40 A 277 ALA A H H > TS+ 0 0 -58.2 -49.7 179.7 45.9 114.4 23.8 0 0.0 44 -1.6 0 0.0 0 0.0 7 30
41 A 278 VAL V H H X TS+ 0 0 -64.0 -38.2 -179.4 52.9 110.8 28.4 37 -1.9 45 -2.0 0 0.0 0 0.0 9 42
42 A 279 SER S H H X TS+ 0 0 -68.8 -26.7 178.7 55.9 105.0 36.5 38 -2.9 46 -2.2 0 0.0 0 0.0 10 37
43 A 280 ALA A H H X TS+ 0 0 -69.0 -40.0 178.7 49.2 107.2 25.6 39 -1.6 47 -1.8 0 0.0 0 0.0 8 33
44 A 281 LEU L H H X TS+ 0 0 -63.8 -38.2 179.8 54.2 109.2 28.0 40 -1.6 48 -2.1 0 0.0 0 0.0 8 47
45 A 282 CYS C H H X TS+ 0 0 -62.7 -45.6 -180.0 51.3 105.4 23.7 41 -2.0 49 -2.8 0 0.0 0 0.0 11 45
46 A 283 GLN Q H H X TS+ 0 0 -61.0 -39.2 178.5 51.8 109.0 27.8 42 -2.2 50 -1.4 0 0.0 0 0.0 12 36
47 A 284 VAL V H H X TS+ 0 0 -61.3 -52.3 179.9 43.5 113.0 16.0 43 -1.8 51 -1.9 0 0.0 0 0.0 8 44
48 A 285 VAL V H H X TS+ 0 0 -62.1 -40.8 -179.7 56.5 109.8 26.6 44 -2.1 52 -2.1 0 0.0 0 0.0 9 51
49 A 286 ASN N H H X TS+ 0 0 -62.6 -29.4 178.5 48.4 108.4 35.5 45 -2.8 22 -3.1 0 0.0 53 -1.6 13 47
50 A 287 LYS K H H X TS+ 0 0 -76.8 -37.8 179.0 49.8 110.4 29.6 46 -1.4 54 -2.2 0 0.0 0 0.0 13 43
51 A 288 GLN Q H H X TS+ 0 0 -69.0 -29.5 178.8 54.4 108.9 33.9 47 -1.9 55 -2.1 0 0.0 0 0.0 10 54
52 A 289 LEU L H H X TS+ 0 0 -68.3 -45.3 179.3 48.8 107.3 22.8 48 -2.1 56 -2.0 0 0.0 0 0.0 11 62
53 A 290 PHE F H H X TS+ 0 0 -57.9 -48.1 -179.5 48.3 113.0 20.4 49 -1.6 57 -1.7 0 0.0 0 0.0 12 57
54 A 291 GLN Q H H X TS+ 0 0 -60.1 -39.3 -179.9 57.7 106.4 29.2 50 -2.2 58 -2.2 0 0.0 0 0.0 12 54
55 A 292 MET M H H X TS+ 0 0 -58.9 -45.1 179.7 51.7 104.0 25.7 51 -2.1 59 -2.6 0 0.0 0 0.0 10 70
56 A 293 VAL V H H X TS+ 0 0 -59.8 -44.3 179.8 45.6 112.0 23.2 52 -2.0 60 -2.0 0 0.0 0 0.0 12 70
57 A 294 GLU E H H X TS+ 0 0 -69.2 -29.7 177.7 57.0 109.9 34.4 53 -1.7 61 -1.1 0 0.0 0 0.0 10 57
58 A 295 TYR Y H H < > TS+ 0 0 -63.0 -52.6 179.4 43.4 109.2 16.1 54 -2.2 61 -0.8 0 0.0 0 0.0 12 61
59 A 296 ALA A H H < > TS+ 0 0 -61.8 -35.1 -179.6 62.9 106.9 31.1 55 -2.6 62 -1.3 0 0.0 0 0.0 11 69
60 A 297 ARG R H H < 3 TS+ 0 0 -59.9 -32.3 -179.5 41.8 108.0 33.5 56 -2.0 0 0.0 0 0.0 0 0.0 9 53
61 A 298 MET M T h < < TS+ 0 0 -95.3 0.7 179.6 111.4 90.7 67.5 57 -1.1 0 0.0 58 -0.8 0 0.0 9 48
62 A 299 MET M S t > X TS- 0 0 -78.3 140.5 -179.8 -86.0 85.8 124.4 59 -1.3 65 -1.1 0 0.0 66 -0.6 11 51
63 A 300 PRO P T T 4 3 TS- 0 0 -48.0 124.8 178.6 -10.2 105.5 101.0 0 0.0 0 0.0 0 0.0 0 0.0 9 44
64 A 301 HIS H T g > > TS+ 0 0 72.2 -19.9 -178.8 113.6 100.7 84.1 0 0.0 67 -1.9 0 0.0 68 -1.1 7 40
65 A 302 PHE F G G 4 X TS+ 0 0 -47.0 -55.1 -179.1 49.7 75.5 26.1 62 -1.1 68 -0.8 0 0.0 0 0.0 10 54
66 A 303 ALA A G G < 3 TS+ 0 0 -64.8 -8.0 179.7 63.1 105.6 55.3 62 -0.6 0 0.0 0 0.0 0 0.0 12 40
67 A 304 GLN Q G G 4 < TS+ 0 0 -87.6 -34.5 -179.9 84.5 81.0 33.6 64 -1.9 0 0.0 0 0.0 0 0.0 5 29
68 A 305 VAL V S g < < TS- 0 0 -63.3 156.7 179.9 -78.3 102.9 105.4 64 -1.1 0 0.0 65 -0.8 0 0.0 10 37
69 A 306 PRO P h > > T - 0 0 -58.3 145.6 -179.5 -114.6 41.3 106.2 0 0.0 73 -1.8 0 0.0 72 -1.4 9 30
70 A 307 LEU L H H > 3 TS+ 0 0 -45.9 -45.3 -179.3 59.4 115.8 30.4 0 0.0 74 -2.3 0 0.0 0 0.0 9 36
71 A 308 ASP D H H > 3 TS+ 0 0 -57.1 -34.9 179.7 47.5 106.9 29.3 0 0.0 75 -1.5 0 0.0 0 0.0 7 36
72 A 309 ASP D H H > < TS+ 0 0 -71.5 -42.2 -178.5 55.3 107.7 23.6 69 -1.4 76 -2.4 0 0.0 0 0.0 12 42
73 A 310 GLN Q H H X TS+ 0 0 -57.4 -39.4 -179.7 50.7 107.2 29.8 69 -1.8 77 -1.8 0 0.0 0 0.0 11 55
74 A 311 VAL V H H X TS+ 0 0 -66.1 -42.8 -179.2 49.1 110.1 25.3 70 -2.3 78 -2.1 0 0.0 0 0.0 11 49
75 A 312 ILE I H H X TS+ 0 0 -65.5 -40.4 -179.8 52.5 108.9 26.9 71 -1.5 79 -1.9 0 0.0 0 0.0 12 45
76 A 313 LEU L H H X TS+ 0 0 -62.4 -44.4 -179.9 45.8 111.7 24.3 72 -2.4 80 -1.8 0 0.0 0 0.0 12 58
77 A 314 LEU L H H X TS+ 0 0 -66.8 -39.9 -179.9 53.0 110.7 27.1 73 -1.8 81 -2.2 0 0.0 0 0.0 11 60
78 A 315 LYS K H H < TS+ 0 0 -64.6 -32.8 -178.9 45.1 113.1 33.0 74 -2.1 0 0.0 0 0.0 0 0.0 9 52
79 A 316 ALA A H H < TS+ 0 0 -83.3 -30.4 -178.1 32.2 122.3 34.6 75 -1.9 0 0.0 0 0.0 0 0.0 8 50
80 A 317 ALA A H H X TS+ 0 0 -104.3 -13.4 -176.8 95.1 86.8 48.9 76 -1.8 84 -2.3 0 0.0 0 0.0 10 57
81 A 318 TRP W H H X TS+ 0 0 -46.6 -53.8 179.6 44.3 89.0 30.4 77 -2.2 85 -2.4 0 0.0 0 0.0 10 60
82 A 319 ILE I H H > TS+ 0 0 -60.0 -43.8 -180.0 49.3 114.9 23.3 0 0.0 86 -2.7 0 0.0 0 0.0 10 59
83 A 320 GLU E H H > TS+ 0 0 -64.5 -33.9 179.7 50.8 110.7 32.2 0 0.0 87 -1.6 0 0.0 0 0.0 11 55
84 A 321 LEU L H H X TS+ 0 0 -70.0 -42.5 179.2 46.1 112.4 22.8 80 -2.3 88 -1.5 0 0.0 0 0.0 11 62
85 A 322 LEU L H H X TS+ 0 0 -64.5 -48.4 -179.5 48.3 113.4 18.6 81 -2.4 89 -1.8 0 0.0 0 0.0 9 68
86 A 323 ILE I H H X TS+ 0 0 -63.0 -30.4 178.7 57.3 106.4 36.8 82 -2.7 90 -2.2 0 0.0 0 0.0 11 61
87 A 324 ALA A H H X TS+ 0 0 -67.0 -39.0 178.1 49.3 107.6 26.6 83 -1.6 91 -1.8 0 0.0 0 0.0 11 64
88 A 325 ASN N H H X TS+ 0 0 -67.7 -36.8 179.1 48.4 110.7 29.5 84 -1.5 92 -2.0 0 0.0 0 0.0 9 64
89 A 326 VAL V H H X TS+ 0 0 -71.6 -34.4 179.3 55.2 108.5 27.7 85 -1.8 93 -1.6 0 0.0 0 0.0 12 61
90 A 327 ALA A H H < TS+ 0 0 -60.2 -43.6 -179.8 44.8 111.3 22.0 86 -2.2 0 0.0 0 0.0 0 0.0 14 61
91 A 328 TRP W H H < > TS+ 0 0 -68.1 -41.2 179.1 49.3 112.4 31.5 87 -1.8 94 -1.1 0 0.0 0 0.0 9 54
92 A 329 CYS C H H < > TS+ 0 0 -71.4 -23.0 -178.7 62.0 104.4 43.0 88 -2.0 95 -0.8 0 0.0 0 0.0 12 44
93 A 330 SER S T h < 3 TS+ 0 0 -88.6 15.6 179.2 80.4 82.4 76.5 89 -1.6 0 0.0 0 0.0 0 0.0 14 47
94 A 331 ILE I T T X TS+ 0 0 -90.1 -20.8 -179.6 70.6 78.9 46.2 91 -1.1 97 -1.0 0 0.0 0 0.0 10 43
95 A 332 VAL V T T < TS+ 0 0 -63.8 -41.3 -178.9 37.7 103.4 29.4 92 -0.8 0 0.0 0 0.0 0 0.0 5 35
96 A 333 SER S T T 3 T 0 0 -106.8 37.9 178.4 999.9 999.9 96.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
97!A 334 LEU L t < T 0 0 -84.4 999.9 999.9 999.9 999.9 134.1 94 -1.0 0 0.0 0 0.0 0 0.0 7 36
98!A 360 GLN Q 0 0 999.9 106.0 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
99 A 361 PRO P - 0 0 -47.4 144.8 -177.6 -167.3 999.9 90.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
100 A 362 GLN Q e + 0 0 -115.5 -7.6 -179.0 64.1 61.7 61.0 0 0.0 112 -1.4 0 0.0 0 0.0 6 36
101 A 363 GLN Q E E AA - 111 0 -129.5 134.7 179.3 -171.6 50.0 167.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
102 A 364 LEU L E E AA - 110 0 -122.0 118.5 180.0 -154.8 16.3 168.0 110 -2.1 110 -2.3 0 0.0 0 0.0 14 48
103 A 365 PHE F E E AA + 109 0 -97.7 139.9 178.0 177.4 23.0 139.7 0 0.0 0 0.0 0 0.0 0 0.0 13 42
104 A 366 LEU L S e S- 0 0 -104.1 -26.1 -179.4 -5.9 83.6 50.6 108 -2.3 0 0.0 0 0.0 0 0.0 11 46
105 A 367 ASN N S S S- 0 0 -141.3 -155.4 177.1 -85.5 90.3 124.9 108 -1.3 0 0.0 0 0.0 0 0.0 8 37
106 A 368 GLN Q S S S+ 0 0 -98.9 -16.2 -178.2 30.4 127.2 51.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
107 A 369 SER S S S S+ 0 0 -130.6 22.1 179.0 68.9 108.4 85.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
108 A 370 PHE F e + 0 0 -142.6 119.2 -177.3 144.2 62.0 162.7 0 0.0 104 -2.3 0 0.0 105 -1.3 7 33
109 A 371 SER S E E AA - 103 0 -155.8 163.6 -180.0 -129.4 36.7 171.0 0 0.0 0 0.0 0 0.0 0 0.0 10 40
110 A 372 TYR Y E E AA - 102 0 -121.7 141.3 175.9 -141.6 12.9 158.4 102 -2.3 102 -2.1 0 0.0 0 0.0 9 42
111 A 373 HIS H E E >AA > T - 101 0 -91.0 159.0 -176.3 -109.2 34.4 127.9 0 0.0 115 -1.2 0 0.0 114 -1.0 9 37
112 A 374 ARG R H H > 3 TS+ 0 0 -62.0 -26.1 179.7 65.6 114.5 39.9 100 -1.4 116 -2.6 0 0.0 0 0.0 11 31
113 A 375 ASN N H H > 3 TS+ 0 0 -64.4 -34.5 179.2 49.6 101.6 31.6 0 0.0 117 -2.2 0 0.0 0 0.0 6 21
114 A 376 SER S H H > < TS+ 0 0 -72.0 -38.6 178.8 49.4 110.6 28.6 111 -1.0 118 -2.4 0 0.0 0 0.0 8 29
115 A 377 ALA A H H X >TS+ 0 0 -61.6 -60.9 177.6 46.0 113.0 6.9 111 -1.2 120 -1.7 0 0.0 119 -1.2 12 34
116 A 378 ILE I H H < >5TS+ 0 0 -43.8 -49.2 179.2 53.0 112.6 24.4 112 -2.6 119 -1.1 0 0.0 0 0.0 9 22
117 A 379 LYS K H H < 35TS+ 0 0 -54.9 -45.2 179.8 44.6 111.2 27.0 113 -2.2 0 0.0 0 0.0 0 0.0 7 24
118 A 380 ALA A H H < 35TS- 0 0 -79.0 -6.3 179.0 -118.0 115.4 58.4 114 -2.4 0 0.0 0 0.0 0 0.0 7 34
119 A 381 GLY G T h < <5TS+ 0 0 78.3 20.0 -179.5 103.3 89.1 45.7 115 -1.2 0 0.0 116 -1.1 0 0.0 6 28
120 A 382 VAL V h > T + 0 0 -74.8 -22.8 -179.3 63.3 68.7 42.5 0 0.0 125 -2.7 0 0.0 0 0.0 10 30
122 A 384 ALA A H H > TS+ 0 0 -68.1 -42.8 179.4 39.3 109.0 22.8 0 0.0 126 -2.3 0 0.0 0 0.0 6 36
123 A 385 ILE I H H > TS+ 0 0 -76.4 -23.2 178.1 56.7 114.2 41.9 0 0.0 127 -1.0 0 0.0 0 0.0 10 49
124 A 386 PHE F H H X TS+ 0 0 -70.2 -46.3 -178.9 45.2 110.4 22.3 120 -1.0 128 -1.3 0 0.0 0 0.0 11 52
125 A 387 ASP D H H X TS+ 0 0 -66.8 -49.6 -178.6 48.0 110.9 20.8 121 -2.7 129 -2.8 0 0.0 0 0.0 10 44
126 A 388 ARG R H H X TS+ 0 0 -67.1 -23.5 177.5 59.6 106.2 36.0 122 -2.3 130 -2.0 0 0.0 0 0.0 10 46
127 A 389 ILE I H H X >TS+ 0 0 -66.1 -41.4 -178.2 35.9 114.8 21.7 123 -1.0 132 -1.8 0 0.0 131 -0.9 12 56
128 A 390 LEU L H H < >TS+ 0 0 -81.4 -33.9 179.9 39.1 125.1 33.3 124 -1.3 133 -2.8 0 0.0 0 0.0 13 50
129 A 391 SER S H H < >TS+ 0 0 -80.7 -47.0 -178.6 37.6 123.5 22.4 125 -2.8 134 -0.6 0 0.0 0 0.0 11 40
130 A 392 GLU E H H < 5TS+ 0 0 -79.6 -20.9 179.9 13.4 135.7 46.2 126 -2.0 0 0.0 0 0.0 0 0.0 10 45
131 A 393 LEU L T h X 5TS+ 0 0 -118.0 -69.8 -179.2 40.6 126.2 44.3 127 -0.9 135 -2.8 0 0.0 0 0.0 13 57
132 A 394 SER S H H > TS+ 0 0 -66.1 -47.3 179.0 44.7 112.9 18.2 131 -2.8 140 -2.4 0 0.0 139 -0.8 10 48
136 A 398 LYS K H H < >5TS+ 0 0 -58.6 -50.4 179.1 54.4 110.5 18.1 132 -2.6 139 -1.5 0 0.0 0 0.0 9 35
137 A 399 ARG R H H < 35TS+ 0 0 -53.4 -31.1 -179.4 45.9 111.8 36.4 133 -3.1 0 0.0 0 0.0 0 0.0 7 28
138 A 400 LEU L H H < 35TS- 0 0 -90.1 -9.8 -178.1 -122.7 109.4 56.2 134 -1.4 0 0.0 0 0.0 0 0.0 6 37
139 A 401 ASN N T h < <5T - 0 0 67.6 38.5 179.9 -166.4 38.8 27.9 136 -1.5 0 0.0 135 -0.8 0 0.0 6 34
140 A 402 LEU L t T - 0 0 -107.6 171.8 -178.6 -100.9 28.5 128.2 0 0.0 145 -1.9 0 0.0 0 0.0 6 45
142 A 404 ARG R H H > TS+ 0 0 -59.0 -33.1 179.9 53.9 120.8 36.2 0 0.0 146 -1.8 0 0.0 0 0.0 6 40
143 A 405 ARG R H H > TS+ 0 0 -70.8 -41.2 179.0 48.8 107.9 25.1 0 0.0 147 -1.7 0 0.0 0 0.0 8 46
144 A 406 GLU E H H > TS+ 0 0 -67.6 -33.0 179.4 51.9 109.9 30.6 0 0.0 148 -2.2 0 0.0 0 0.0 10 57
145 A 407 LEU L H H X TS+ 0 0 -69.8 -39.8 177.6 53.2 106.8 26.3 141 -1.9 149 -2.5 0 0.0 0 0.0 10 60
146 A 408 SER S H H X TS+ 0 0 -59.1 -41.2 179.5 49.4 110.0 25.1 142 -1.8 150 -1.8 0 0.0 0 0.0 12 63
147 A 409 CYS C H H X TS+ 0 0 -64.7 -46.3 179.3 50.0 109.7 21.7 143 -1.7 151 -2.7 0 0.0 0 0.0 14 59
148 A 410 LEU L H H X TS+ 0 0 -59.4 -41.1 -179.3 50.6 110.6 24.2 144 -2.2 152 -1.8 0 0.0 0 0.0 10 64
149 A 411 LYS K H H X TS+ 0 0 -66.6 -35.6 178.7 48.6 110.4 29.6 145 -2.5 153 -2.4 0 0.0 0 0.0 10 68
150 A 412 ALA A H H X TS+ 0 0 -69.8 -43.2 179.8 56.2 106.3 20.9 146 -1.8 154 -2.9 0 0.0 0 0.0 11 67
151 A 413 ILE I H H < TS+ 0 0 -52.9 -39.4 -180.0 48.4 110.5 24.9 147 -2.7 0 0.0 0 0.0 0 0.0 11 60
152 A 414 ILE I H H < TS+ 0 0 -65.2 -51.9 179.6 48.1 110.8 19.4 148 -1.8 0 0.0 0 0.0 0 0.0 10 60
153 A 415 LEU L H H < TS+ 0 0 -54.3 -54.0 -179.0 63.6 102.7 19.5 149 -2.4 155 -2.4 0 0.0 0 0.0 11 65
154 A 416 TYR Y S h < TS+ 0 0 -74.7 69.4 -177.9 155.3 71.1 114.1 150 -2.9 0 0.0 0 0.0 0 0.0 11 58
155 A 417 ASN N t > T + 0 0 -106.0 108.8 -179.4 178.7 20.9 149.6 153 -2.4 158 -0.5 0 0.0 0 0.0 11 50
156 A 418 PRO P T T 3 T + 0 0 -84.0 -8.0 -177.1 75.5 67.6 57.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
157 A 419 ASP D T T 3 T + 0 0 -92.3 16.0 -179.5 118.8 63.8 76.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
158 A 420 ILE I S t X TS- 0 0 -85.0 136.8 179.8 -108.3 71.9 129.9 155 -0.5 161 -1.5 0 0.0 0 0.0 9 30
159 A 421 ARG R T T 3 TS+ 0 0 -61.6 138.5 178.9 25.7 101.6 110.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
160 A 422 GLY G T T 3 TS+ 0 0 95.6 -17.4 -179.6 140.1 83.5 79.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
161 A 423 ILE I t < T - 0 0 -64.5 139.5 -179.9 -168.2 33.1 110.0 158 -1.5 0 0.0 0 0.0 0 0.0 11 31
162 A 424 LYS K S S S+ 0 0 -92.2 -52.6 -178.3 49.4 78.0 26.1 0 0.0 164 -1.1 0 0.0 0 0.0 6 27
163 A 425 SER S h > T + 0 0 -90.8 58.4 179.8 146.7 61.6 111.7 0 0.0 167 -2.1 0 0.0 0 0.0 10 31
164 A 426 ARG R H H > TS+ 0 0 -57.4 -47.1 -179.1 50.6 71.8 25.3 162 -1.1 168 -2.7 0 0.0 0 0.0 9 33
165 A 427 ALA A H H > TS+ 0 0 -58.2 -54.1 178.7 47.6 110.6 18.6 0 0.0 169 -2.0 0 0.0 0 0.0 7 26
166 A 428 GLU E H H > TS+ 0 0 -54.4 -42.8 -179.3 47.4 114.8 26.2 0 0.0 170 -1.8 0 0.0 0 0.0 8 33
167 A 429 ILE I H H X TS+ 0 0 -67.9 -43.1 179.3 51.1 109.6 23.8 163 -2.1 171 -2.3 0 0.0 0 0.0 11 45
168 A 430 GLU E H H X TS+ 0 0 -61.9 -32.4 -179.1 55.8 108.0 33.1 164 -2.7 172 -2.3 0 0.0 0 0.0 11 32
169 A 431 MET M H H X TS+ 0 0 -67.2 -49.3 176.9 49.0 105.2 19.1 165 -2.0 173 -2.3 0 0.0 0 0.0 8 31
170 A 432 CYS C H H X TS+ 0 0 -54.2 -47.3 -179.7 51.6 111.7 19.6 166 -1.8 174 -1.7 0 0.0 0 0.0 11 43
171 A 433 ARG R H H X TS+ 0 0 -57.0 -44.8 -179.5 49.7 108.9 22.8 167 -2.3 175 -1.8 0 0.0 0 0.0 12 44
172 A 434 GLU E H H X TS+ 0 0 -65.8 -31.4 177.6 55.0 106.5 32.8 168 -2.3 176 -2.2 0 0.0 0 0.0 8 34
173 A 435 LYS K H H X TS+ 0 0 -69.4 -30.4 178.3 50.7 107.4 32.3 169 -2.3 177 -1.9 0 0.0 0 0.0 9 38
174 A 436 VAL V H H X TS+ 0 0 -72.1 -35.5 178.1 54.8 106.8 29.0 170 -1.7 178 -3.3 0 0.0 0 0.0 13 46
175 A 437 TYR Y H H X TS+ 0 0 -58.7 -50.3 179.2 49.1 108.0 18.8 171 -1.8 179 -3.0 0 0.0 0 0.0 10 42
176 A 438 ALA A H H X TS+ 0 0 -56.4 -43.4 179.7 47.8 112.7 26.0 172 -2.2 180 -2.3 0 0.0 0 0.0 8 34
177 A 439 CYS C H H X TS+ 0 0 -64.5 -45.8 -179.4 48.3 112.7 20.6 173 -1.9 181 -2.3 0 0.0 0 0.0 11 41
178 A 440 LEU L H H X TS+ 0 0 -60.0 -48.8 -179.9 48.4 112.3 20.2 174 -3.3 182 -2.3 0 0.0 0 0.0 12 48
179 A 441 ASP D H H X TS+ 0 0 -58.9 -46.0 179.0 51.3 110.4 24.3 175 -3.0 183 -3.3 0 0.0 0 0.0 9 38
180 A 442 GLU E H H X TS+ 0 0 -58.1 -45.3 179.0 50.2 109.3 23.1 176 -2.3 184 -3.6 0 0.0 0 0.0 8 33
181 A 443 HIS H H H X TS+ 0 0 -59.2 -41.9 178.9 48.0 112.7 24.5 177 -2.3 185 -3.0 0 0.0 0 0.0 10 40
182 A 444 CYS C H H X TS+ 0 0 -62.2 -48.7 179.9 46.1 114.0 19.7 178 -2.3 186 -2.7 0 0.0 0 0.0 11 35
183 A 445 ARG R H H < TS+ 0 0 -59.3 -49.0 -178.7 42.2 118.5 22.3 179 -3.3 0 0.0 0 0.0 0 0.0 9 25
184 A 446 LEU L H H < TS+ 0 0 -66.9 -47.5 -177.7 26.0 128.2 23.7 180 -3.6 0 0.0 0 0.0 0 0.0 7 22
185 A 447 GLU E H H < TS+ 0 0 -94.0 -21.1 -179.1 31.5 132.3 46.6 181 -3.0 0 0.0 0 0.0 0 0.0 6 25
186 A 448 HIS H h < > T + 0 0 -133.4 51.0 -179.9 150.9 61.5 106.8 182 -2.7 189 -1.5 0 0.0 0 0.0 10 25
187 A 449 PRO P T T 3 T + 0 0 -57.3 -13.2 -178.9 71.3 66.4 49.0 0 0.0 0 0.0 0 0.0 0 0.0 8 16
188 A 450 GLY G T T 3 TS+ 0 0 -79.6 -21.2 177.4 43.9 96.3 50.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
189 A 451 ASP D t X T - 0 0 -127.4 103.6 -179.8 -175.5 57.7 159.6 186 -1.5 192 -1.3 0 0.0 0 0.0 6 21
190 A 452 ASP D T T 3 TS+ 0 0 -75.9 -5.6 179.8 66.0 83.7 57.8 0 0.0 0 0.0 0 0.0 0 0.0 8 20
191 A 453 GLY G T h > 3 TS+ 0 0 -94.7 0.2 -178.9 91.2 74.6 63.3 0 0.0 195 -2.0 0 0.0 0 0.0 6 24
192 A 454 ARG R H H > < TS+ 0 0 -59.3 -53.7 -179.4 55.5 79.9 19.3 189 -1.3 196 -2.8 0 0.0 0 0.0 9 38
193 A 455 PHE F H H > TS+ 0 0 -46.2 -50.9 -179.1 43.9 111.6 26.0 0 0.0 197 -1.6 0 0.0 0 0.0 10 39
194 A 456 ALA A H H > TS+ 0 0 -65.2 -42.1 179.2 52.9 112.2 26.4 0 0.0 198 -1.2 0 0.0 0 0.0 7 35
195 A 457 GLN Q H H X TS+ 0 0 -60.5 -42.4 -179.4 53.4 105.8 25.3 191 -2.0 199 -0.5 0 0.0 0 0.0 8 37
196 A 458 LEU L H H < > TS+ 0 0 -60.7 -38.5 -178.9 52.9 106.9 26.4 192 -2.8 199 -1.2 0 0.0 0 0.0 8 52
197 A 459 LEU L H H < > TS+ 0 0 -68.9 -25.9 178.9 72.6 93.1 38.8 193 -1.6 200 -1.6 0 0.0 0 0.0 8 45
198 A 460 LEU L H H X 3 TS+ 0 0 -60.5 -23.6 179.6 66.8 85.6 42.8 194 -1.2 202 -0.8 0 0.0 0 0.0 8 34
199 A 461 ARG R H H X < TS+ 0 0 -69.4 -23.6 -178.6 72.9 86.0 38.8 196 -1.2 203 -1.9 195 -0.5 0 0.0 10 48
200 A 462 LEU L H H > < TS+ 0 0 -58.8 -46.6 179.6 49.6 93.4 26.2 197 -1.6 204 -2.5 0 0.0 0 0.0 9 51
201 A 463 PRO P H H > TS+ 0 0 -61.8 -38.2 179.7 48.8 112.0 26.5 0 0.0 205 -2.4 0 0.0 0 0.0 7 32
202 A 464 ALA A H H X TS+ 0 0 -69.1 -33.1 179.4 52.8 110.1 30.6 198 -0.8 206 -2.1 0 0.0 0 0.0 10 41
203 A 465 LEU L H H X TS+ 0 0 -66.8 -45.1 -179.9 47.3 110.4 20.6 199 -1.9 207 -2.5 0 0.0 0 0.0 12 49
204 A 466 ARG R H H X TS+ 0 0 -62.3 -45.8 179.8 49.7 111.7 23.1 200 -2.5 208 -2.0 0 0.0 0 0.0 9 41
205 A 467 SER S H H X TS+ 0 0 -59.7 -48.3 179.8 43.3 114.5 20.8 201 -2.4 209 -1.4 0 0.0 0 0.0 8 37
206 A 468 ILE I H H X TS+ 0 0 -63.0 -42.8 -179.8 55.9 111.8 23.7 202 -2.1 210 -2.0 0 0.0 0 0.0 11 41
207 A 469 SER S H H X TS+ 0 0 -59.1 -36.8 179.2 53.8 103.6 32.5 203 -2.5 211 -1.7 0 0.0 0 0.0 11 43
208 A 470 LEU L H H X TS+ 0 0 -68.4 -36.5 179.0 50.2 107.6 28.0 204 -2.0 212 -1.7 0 0.0 0 0.0 8 33
209 A 471 LYS K H H X TS+ 0 0 -68.4 -37.9 178.8 56.1 106.4 27.4 205 -1.4 213 -2.3 0 0.0 0 0.0 9 33
210 A 472 CYS C H H X TS+ 0 0 -58.6 -45.1 179.4 50.4 106.2 23.2 206 -2.0 214 -2.2 0 0.0 0 0.0 10 45
211 A 473 GLN Q H H X TS+ 0 0 -59.9 -42.7 179.1 54.0 107.2 24.6 207 -1.7 215 -1.9 0 0.0 0 0.0 9 38
212 A 474 ASP D H H X TS+ 0 0 -57.6 -45.1 178.1 50.1 108.2 23.2 208 -1.7 216 -2.3 0 0.0 0 0.0 8 24
213 A 475 HIS H H H X TS+ 0 0 -59.6 -42.5 -179.9 55.7 106.3 25.0 209 -2.3 217 -2.2 0 0.0 0 0.0 8 34
214 A 476 LEU L H H X >TS+ 0 0 -58.4 -40.3 -179.3 43.3 111.3 26.9 210 -2.2 219 -1.0 0 0.0 218 -0.6 10 42
215 A 477 PHE F H H < 5TS+ 0 0 -72.9 -37.4 -179.0 56.0 111.4 27.9 211 -1.9 0 0.0 0 0.0 0 0.0 9 30
216 A 478 LEU L H H < 5TS+ 0 0 -62.6 -42.6 -179.5 38.8 112.5 30.6 212 -2.3 0 0.0 0 0.0 0 0.0 7 25
217 A 479 PHE F H H < 5TS- 0 0 -86.1 -8.9 179.5 -137.1 102.6 57.5 213 -2.2 32 -1.9 0 0.0 0 0.0 9 34
218 A 480 ARG R T h < 5T + 0 0 48.3 73.2 178.3 137.8 55.5 16.4 214 -0.6 0 0.0 0 0.0 0 0.0 10 30
219 A 481 ILE I t > T - 0 0 -65.3 132.7 -178.7 -127.9 19.8 115.3 0 0.0 227 -1.5 0 0.0 228 -1.2 7 28
225 A 487 LEU L H H > 3 TS+ 0 0 -48.6 -37.4 179.0 69.0 106.1 35.3 0 0.0 229 -2.5 0 0.0 0 0.0 9 40
226 A 488 GLU E H H > 3 TS+ 0 0 -49.1 -46.9 -179.6 48.4 100.0 24.7 0 0.0 230 -2.6 0 0.0 0 0.0 9 37
227 A 489 GLU E H H > < TS+ 0 0 -61.9 -44.3 -178.9 51.9 109.0 24.7 224 -1.5 231 -2.5 0 0.0 0 0.0 8 32
228 A 490 LEU L H H X TS+ 0 0 -61.6 -40.4 178.9 45.7 112.6 26.6 224 -1.2 232 -1.7 0 0.0 0 0.0 11 41
229 A 491 PHE F H H X TS+ 0 0 -66.6 -47.1 -179.7 51.4 112.0 21.3 225 -2.5 233 -2.7 0 0.0 0 0.0 11 49
230 A 492 LEU L H H X TS+ 0 0 -57.0 -42.0 -178.7 51.0 109.6 27.0 226 -2.6 234 -2.4 0 0.0 0 0.0 10 39
231 A 493 GLU E H H < TS+ 0 0 -68.0 -39.0 179.2 45.3 111.2 28.6 227 -2.5 0 0.0 0 0.0 0 0.0 8 36
232 A 494 GLN Q H H < > TS+ 0 0 -71.5 -39.6 179.7 50.6 113.9 23.8 228 -1.7 235 -1.1 0 0.0 0 0.0 9 44
233 A 495 LEU L H H < 3 TS+ 0 0 -61.8 -44.4 -179.5 52.5 107.2 22.6 229 -2.7 0 0.0 0 0.0 0 0.0 10 43
234 A 496 GLU E T h < 3 TS+ 0 0 -69.9 -3.9 -179.9 77.1 104.1 57.8 230 -2.4 0 0.0 0 0.0 0 0.0 6 29
235 A 497 ALA A S t < TS- 0 0 -105.7 159.1 180.0 -98.8 92.9 134.5 232 -1.1 0 0.0 0 0.0 0 0.0 6 28
236 A 498 PRO P - 0 0 -69.8 163.0 179.5 -97.6 46.1 103.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
237 A 499 PRO P - 0 0 -77.6 163.3 179.6 -97.8 43.3 110.6 0 0.0 0 0.0 0 0.0 0 0.0 6 35
238 A 500 PRO P - 0 0 -71.2 176.1 179.7 -62.2 65.1 100.2 0 0.0 240 -4.2 0 0.0 0 0.0 6 32
239 A 501 PRO P 0 0 -57.5 66.9 -179.6 999.9 999.9 102.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
240 A 502 GLY G 0 0 160.6 999.9 999.9 999.9 999.9 163.7 238 -4.2 0 0.0 0 0.0 0 0.0 6 27
1hg4A.pdb
1HG4 NUCLEAR HORMONE RECEPTOR MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHSTT B TT S GGGHHHHHHHHHHHHHHHHHHHHHHHTSTTGGGS HHHHHHHHHHHHHHHHHHHHHHHTTTT Kabs/Sand
chirality -++++++++++++++--+---+++-+-++-+--+++++++++++++++++++++++++++--++++--++++++++++++++++++++++++++ -+ chirality
bends SSSSSSSSSSSSSSS S SS S SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >>3<< >>3X3<<>33< >>3X<3< 3-turns
bridge-2 bridge-2
bridge-1 A bridge-1
sheets sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXX<<<<>4>4<4<>>>>XXXXX<>XXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHhTTt B tTTt SgGGhHHHHHHHHHHHHHHHHHHHHHHHhtTgGGGghHHHHHHHHHHHHHHHHHHHHHHHhTTTt e summary
sequence FSIERIIEAEQRAETQCGDRALTFLRVGPYSTVQPDYKGAVSALCQVVNKQLFQMVEYARMMPHFAQVPLDDQVILLKAAWIELLIANVAWCSIVSLQPQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEESSSS EEEHHHHHHHT HHHHHHHHHHTHHHHHHHT HHHHHHHHHHHHS TTSTT S HHHHHHHHHHHHHHHHHHHHHH TT TTHHHHHHHHH Kabs/Sand
chirality --+--+++---++++++-+++++++++++++++++++----++++++++++++++++-++-+++++++++++++++++++++++++++-+++++++++++ chirality
bends SSSS SSSSSSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SSS S SSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>>55<<<>5555< 5-turns
3-turns >33< >33< >33< >33X33< >33X33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>>X<<<<>>>>XXXX<<>>X<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXXXXXXXXX<<<< >>>>X< 4-turns
summary EEEeSSSeEEEHHHHHHHhhHHHHHHHHHHhHHHHHHHhthHHHHHHHHHHHHhtTTtTTtShHHHHHHHHHHHHHHHHHHHHHHhTTtThHHHHHHHHH summary
sequence QLFLNQSFSYHRNSAIKAGVSAIFDRILSELSVKMKRLNLDRRELSCLKAIILYNPDIRGIKSRAEIEMCREKVYACLDEHCRLEHPGDDGRFAQLLLRL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHHHT B SS HHHHHHHHHTS Kabs/Sand
chirality ++++++++++++++++-++--+--++++++++++---- chirality
bends SSSSSSSSSSSSSSSSS S SS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A bridge-1
sheets sheets
4-turns >XXXXXXXXXXXXX<<<< >>>>XXX<<<< 4-turns
summary HHHHHHHHHHHHHHHHHhtB SShHHHHHHHHHht summary
sequence PALRSISLKCQDHLFLFRITSDRPLEELFLEQLEAPPPPG sequence
210 220 230 240
Messages
chain break between 97(A 334 ) and 98(A 360 )