Secondary structure calculation program - copyright by David Keith Smith, 1989
1eo9B.pdb
1EO9 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 238
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 B 303 ILE I 0 0 999.9 127.6 178.4 999.9 999.9 999.9 0 0.0 3 -0.6 0 0.0 0 0.0 4 13
2 B 304 ILE I E E AA - 231 0 -103.0 116.9 -177.7 -138.7 999.9 154.9 231 -0.6 231 -2.9 0 0.0 0 0.0 6 19
3 B 305 TRP W E E AA - 230 0 -83.4 142.2 178.6 -167.1 16.4 121.3 1 -0.6 0 0.0 0 0.0 0 0.0 8 30
4 B 306 GLY G E E A* - 0 0 -98.2 -146.9 -179.0 -45.0 44.2 85.2 229 -3.4 0 0.0 0 0.0 0 0.0 10 32
5 B 307 ALA A E E A* - 0 0 -86.3 164.4 177.2 -92.6 62.2 111.5 0 0.0 229 -2.2 0 0.0 0 0.0 10 41
6 B 308 TYR Y E E AA - 228 0 -69.3 149.9 178.4 -97.5 52.3 114.9 0 0.0 0 0.0 0 0.0 0 0.0 11 45
7 B 309 ALA A e - 0 0 -66.4 151.6 179.1 -84.7 54.1 112.9 227 -2.8 0 0.0 0 0.0 0 0.0 8 36
8 B 310 GLN Q - 0 0 -56.1 138.2 177.3 -110.3 43.9 104.4 0 0.0 0 0.0 0 0.0 0 0.0 5 33
9 B 311 ARG R - 0 0 -72.0 130.1 -179.6 -128.7 29.0 125.5 0 0.0 11 -1.2 0 0.0 0 0.0 5 35
10 B 312 ASN N g > T - 0 0 -85.0 98.8 -178.7 -164.0 18.0 134.1 0 0.0 13 -2.5 0 0.0 0 0.0 6 27
11 B 313 THR T G G > TS+ 0 0 -54.0 -23.9 179.9 65.3 85.1 43.9 9 -1.2 14 -1.1 0 0.0 0 0.0 7 25
12 B 314 GLU E G G 3 TS+ 0 0 -75.1 -16.6 179.3 57.7 94.8 47.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
13 B 315 ASP D G G < TS+ 0 0 -95.1 11.6 -179.6 62.2 104.9 75.5 10 -2.5 0 0.0 0 0.0 0 0.0 9 30
14 B 316 HIS H S g < TS- 0 0 -133.4 159.0 179.5 -93.7 93.8 156.0 11 -1.1 0 0.0 0 0.0 0 0.0 9 35
15 B 317 PRO P - 0 0 -69.5 149.5 179.3 -112.6 46.6 113.3 0 0.0 0 0.0 0 0.0 0 0.0 10 39
16 B 318 PRO P - 0 0 -74.4 171.3 180.0 -115.5 22.8 107.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
17 B 319 ALA A S S S+ 0 0 -73.7 -43.7 -179.7 58.4 103.8 23.2 0 0.0 19 -0.7 0 0.0 0 0.0 7 32
18 B 320 TYR Y + 0 0 -92.1 115.1 179.7 160.1 60.8 142.5 0 0.0 0 0.0 0 0.0 0 0.0 8 29
19 B 321 ALA A t > T - 0 0 -137.7 88.2 -179.3 -167.6 20.9 138.6 17 -0.7 22 -2.6 0 0.0 0 0.0 11 27
20 B 322 PRO P T T 3 TS+ 0 0 -47.0 -30.5 179.0 64.3 85.9 44.1 0 0.0 0 0.0 0 0.0 0 0.0 7 26
21 B 323 GLY G T T 3 TS+ 0 0 -67.6 -26.8 177.7 58.9 97.3 39.3 0 0.0 23 -1.0 0 0.0 0 0.0 7 33
22 B 324 TYR Y S g X TS- 0 0 -104.4 90.8 -176.3 -159.7 85.5 147.4 19 -2.6 25 -2.1 0 0.0 0 0.0 11 32
23 B 325 LYS K G G > TS+ 0 0 -42.1 -50.0 -178.9 59.6 79.5 40.4 21 -1.0 26 -2.0 0 0.0 0 0.0 8 27
24 B 326 THR T G G > 3 TS+ 0 0 -62.8 -10.8 179.7 67.7 95.6 48.5 0 0.0 28 -0.5 0 0.0 0 0.0 7 23
25 B 327 SER S G G 4 < TS+ 0 0 -80.2 -17.8 -178.9 78.0 80.6 45.2 22 -2.1 0 0.0 0 0.0 0 0.0 11 25
26 B 328 VAL V T g 4 < TS+ 0 0 -58.0 -37.7 -178.8 26.6 107.6 31.4 23 -2.0 0 0.0 0 0.0 0 0.0 10 21
27 B 329 LEU L T T 4 TS+ 0 0 -104.5 -6.4 -179.0 57.7 118.9 61.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
28 B 330 ARG R S t < TS+ 0 0 -114.8 28.9 179.3 91.9 86.2 89.3 24 -0.5 0 0.0 0 0.0 0 0.0 6 17
29 B 331 SER S S S S- 0 0 -124.6 131.4 179.6 -115.5 78.0 168.7 0 0.0 0 0.0 0 0.0 0 0.0 8 20
30 B 332 PRO P - 0 0 -61.2 149.4 179.2 -150.0 11.2 106.1 0 0.0 0 0.0 0 0.0 0 0.0 7 17
31 B 333 LYS K S S S+ 0 0 -91.6 -25.6 178.2 74.6 78.9 41.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
32 B 334 ASN N S S S- 0 0 -84.6 153.3 178.7 -105.7 92.3 122.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
33 B 335 ALA A - 0 0 -73.4 154.0 178.6 -95.2 42.6 112.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
34 B 336 LEU L - 0 0 -69.1 142.6 178.2 -125.8 35.9 117.4 0 0.0 36 -0.7 0 0.0 0 0.0 4 19
35 B 337 ILE I - 0 0 -94.1 115.4 -179.8 -143.1 22.2 146.5 0 0.0 0 0.0 0 0.0 0 0.0 4 13
36 B 338 SER S - 0 0 -79.8 135.5 179.2 -170.2 20.3 128.0 34 -0.7 0 0.0 0 0.0 0 0.0 4 17
37 B 339 ILE I - 0 0 -124.8 158.1 177.5 -109.1 28.1 150.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
38 B 340 ALA A - 0 0 -81.0 140.6 -177.7 -102.9 51.7 131.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
39 B 341 GLU E - 0 0 -72.5 149.4 178.3 -178.8 39.1 108.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32
40 B 342 THR T h > > T - 0 0 -128.4 -178.0 179.4 -77.9 53.3 132.9 0 0.0 44 -1.5 0 0.0 43 -1.0 9 27
41 B 343 LEU L H H > 3 TS+ 0 0 -56.1 -29.0 -179.8 66.3 126.8 36.8 0 0.0 45 -1.0 0 0.0 0 0.0 8 25
42 B 344 SER S H H 4 3 TS+ 0 0 -59.9 -41.6 -178.6 39.0 106.7 24.6 0 0.0 0 0.0 0 0.0 0 0.0 7 23
43 B 345 GLU E H H 4 < TS+ 0 0 -82.3 -26.3 -178.5 50.3 114.9 41.6 40 -1.0 169 -2.0 0 0.0 0 0.0 10 34
44 B 346 VAL V H H < TS+ 0 0 -93.1 -1.9 179.1 73.2 100.9 60.8 40 -1.5 0 0.0 0 0.0 0 0.0 13 39
45 B 347 THR T h < T + 0 0 -107.4 166.8 -179.2 174.0 55.2 130.4 41 -1.0 168 -1.8 0 0.0 0 0.0 9 28
46 B 348 ALA A - 0 0 -164.4 160.9 -179.9 -79.5 34.2 167.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32
47 B 349 PRO P - 0 0 -67.4 158.4 179.8 -134.0 34.8 102.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
48 B 350 HIS H - 0 0 -116.8 132.4 179.2 -160.2 12.9 161.3 0 0.0 50 -0.5 0 0.0 0 0.0 4 28
49 B 351 PHE F - 0 0 -117.1 121.4 -179.9 -136.1 14.7 163.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
50 B 352 SER S g > T - 0 0 -76.4 139.2 -178.4 -136.4 10.3 121.2 48 -0.5 53 -1.1 0 0.0 0 0.0 5 24
51 B 353 ALA A G G > TS+ 0 0 -62.8 -38.7 -178.5 72.3 94.8 32.6 0 0.0 54 -2.7 0 0.0 0 0.0 6 27
52 B 354 ASP D G G 3 TS+ 0 0 -63.3 6.6 177.6 68.1 87.0 65.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
53 B 355 LYS K G G < TS+ 0 0 -97.3 -12.5 -179.4 88.5 84.2 55.6 50 -1.1 0 0.0 0 0.0 0 0.0 5 18
54 B 356 PHE F S g < TS- 0 0 -90.1 135.4 178.9 -127.5 77.5 134.2 51 -2.7 0 0.0 0 0.0 0 0.0 7 27
55 B 357 GLY G t > T - 0 0 -74.4 163.5 179.9 -108.9 26.5 108.4 0 0.0 58 -1.2 0 0.0 0 0.0 6 23
56 B 358 PRO P T T 3 TS+ 0 0 -64.6 -25.9 -179.9 43.4 118.6 40.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
57 B 359 LYS K T T > TS+ 0 0 -104.3 12.3 -179.8 110.4 77.2 75.5 0 0.0 60 -2.0 0 0.0 0 0.0 8 33
58 B 360 ASP D T T < TS+ 0 0 -57.6 -27.9 -179.6 41.7 85.6 38.0 55 -1.2 126 -1.8 0 0.0 0 0.0 11 36
59 B 361 ASN N T T 3 TS+ 0 0 -105.0 16.4 -179.9 84.2 98.5 79.4 0 0.0 138 -2.1 0 0.0 61 -0.5 11 48
60 B 362 ASP D B B > a X T + 138 0 -121.7 90.0 -178.5 176.2 47.7 144.3 57 -2.0 64 -2.6 0 0.0 63 -0.6 11 45
61 B 363 LEU L T T 4 3 TS+ 0 0 -70.0 -9.1 178.5 64.0 78.5 53.6 138 -2.5 0 0.0 59 -0.5 0 0.0 17 55
62 B 364 ILE I T T 4 3 TS+ 0 0 -80.0 -36.7 -177.7 19.4 119.3 29.6 0 0.0 0 0.0 0 0.0 0 0.0 13 47
63 B 365 LEU L T T 4 X TS+ 0 0 -108.9 -19.4 -176.8 83.5 100.0 47.4 60 -0.6 66 -0.7 0 0.0 0 0.0 9 38
64 B 366 ASN N T T < 3 TS+ 0 0 -67.0 -6.2 179.5 23.4 111.0 54.1 60 -2.6 0 0.0 0 0.0 0 0.0 10 36
65 B 367 TYR Y T T 3 TS+ 0 0 -135.6 3.6 -179.6 128.4 88.5 72.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
66 B 368 ALA A t < T + 0 0 -67.2 125.8 -179.4 163.4 23.7 119.3 63 -0.7 0 0.0 0 0.0 0 0.0 12 32
67 B 369 LYS K S S S+ 0 0 -107.4 -71.4 -179.3 0.7 72.3 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 20
68 B 370 ASP D S S S- 0 0 -96.3 -22.0 179.6 -13.1 130.6 46.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
69 B 371 GLY G S S S- 0 0 -158.0 -168.4 179.0 -63.5 84.8 149.0 0 0.0 0 0.0 0 0.0 0 0.0 6 19
70 B 372 LEU L - 0 0 -89.9 149.5 179.6 -102.1 56.6 128.2 0 0.0 0 0.0 0 0.0 0 0.0 10 32
71 B 373 PRO P - 0 0 -67.4 157.9 179.0 -109.4 38.1 108.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
72 B 374 ILE I S S S+ 0 0 -88.2 135.7 179.4 60.2 71.9 136.4 0 0.0 102 -0.5 0 0.0 0 0.0 8 38
73 B 375 GLY G S S S- 0 0 144.3 -177.7 -178.5 -30.0 86.2 149.8 0 0.0 75 -0.7 0 0.0 0 0.0 8 39
74 B 376 GLU E e - 0 0 -82.1 110.7 179.7 -136.9 52.1 131.2 0 0.0 141 -2.2 0 0.0 0 0.0 8 44
75 B 377 ARG R E E BB + 140 0 -67.7 116.3 179.0 164.6 37.8 120.9 73 -0.7 217 -2.0 0 0.0 0 0.0 12 46
76 B 378 VAL V E E BBc - 139 217 -139.1 148.8 177.6 -148.1 30.2 171.9 139 -2.8 139 -2.7 0 0.0 0 0.0 12 52
77 B 379 ILE I E E BBc - 138 218 -111.1 140.5 178.2 -162.3 13.2 153.8 217 -2.4 219 -2.6 0 0.0 0 0.0 12 53
78 B 380 VAL V E E BBc + 137 219 -126.5 128.6 179.2 155.8 19.6 172.9 137 -2.8 137 -2.5 0 0.0 0 0.0 12 60
79 B 381 HIS H E E BBc + 136 220 -143.7 167.4 179.7 127.6 4.2 158.9 219 -2.1 221 -2.4 0 0.0 0 0.0 13 55
80 B 382 GLY G E E BB - 135 0 169.9 -168.1 -179.6 -75.3 46.4 168.9 135 -1.6 135 -2.2 0 0.0 0 0.0 11 53
81 B 383 TYR Y E E BB - 134 0 -125.1 147.9 177.3 -147.8 19.2 158.1 0 0.0 223 -2.7 0 0.0 83 -0.5 12 46
82 B 384 VAL V E E Bd + 223 0 -110.9 120.3 -179.5 164.9 31.2 163.8 133 -2.5 90 -2.5 0 0.0 0 0.0 14 53
83 B 385 ARG R E E BdB - 224 89 -129.9 165.9 177.2 -114.6 35.1 148.9 223 -2.5 225 -2.7 81 -0.5 0 0.0 14 42
84 B 386 ASP D E E Bd > T - 225 0 -94.4 171.9 -176.6 -92.5 45.2 120.9 88 -2.6 87 -2.6 0 0.0 0 0.0 12 45
85 B 387 GLN Q T e 3 TS+ 0 0 -59.9 -17.2 179.0 56.8 127.3 46.2 225 -1.5 0 0.0 0 0.0 0 0.0 9 36
86 B 388 PHE F T T 3 TS- 0 0 -95.6 11.0 178.8 -103.9 123.4 73.5 0 0.0 0 0.0 0 0.0 0 0.0 6 27
87 B 389 GLY G S t < TS+ 0 0 82.6 5.9 179.7 142.5 73.9 58.5 84 -2.6 0 0.0 0 0.0 0 0.0 6 26
88 B 390 ARG R - 0 0 -81.0 138.7 179.7 -109.9 55.8 127.2 0 0.0 84 -2.6 0 0.0 0 0.0 7 35
89 B 391 PRO P B B B - 83 0 -66.4 147.4 178.9 -131.0 22.7 109.6 0 0.0 91 -0.8 0 0.0 0 0.0 11 35
90 B 392 VAL V t > T - 0 0 -103.4 108.1 -177.9 -153.8 26.6 152.8 82 -2.5 93 -0.5 0 0.0 0 0.0 14 46
91 B 393 LYS K T T 3 T - 0 0 -88.5 139.2 178.9 -4.0 64.1 129.6 89 -0.8 0 0.0 0 0.0 0 0.0 11 42
92 B 394 ASN N T T 3 TS+ 0 0 52.5 39.8 178.4 163.4 82.0 35.8 129 -1.3 0 0.0 0 0.0 0 0.0 10 43
93 B 395 ALA A e < T - 0 0 -85.3 145.4 179.4 -116.7 41.4 128.9 90 -0.5 129 -1.8 0 0.0 95 -0.6 12 53
94 B 396 LEU L E E BEF - 164 128 -86.4 118.6 178.9 -169.9 30.9 138.2 164 -2.8 164 -1.6 0 0.0 96 -0.6 13 56
95 B 397 VAL V E E BEF - 163 127 -112.8 120.3 179.7 -177.6 4.6 160.8 127 -3.0 127 -1.9 93 -0.6 0 0.0 12 59
96 B 398 GLU E E E BEF - 162 126 -119.2 135.4 -179.5 -178.8 3.1 162.9 162 -2.3 162 -2.4 94 -0.6 0 0.0 11 48
97 B 399 VAL V E E BEF + 161 125 -132.0 156.5 178.2 177.2 8.5 156.4 125 -2.1 125 -2.0 0 0.0 0 0.0 11 54
98 B 400 TRP W E E BEF + 160 124 -155.8 147.9 -176.5 162.3 10.1 167.6 160 -1.5 160 -2.2 0 0.0 0 0.0 10 47
99 B 401 GLN Q e - 0 0 -156.1 177.8 178.0 -94.4 36.4 157.6 123 -2.4 0 0.0 0 0.0 0 0.0 11 60
100 B 402 ALA A - 0 0 -91.5 176.8 178.5 -102.5 46.8 109.7 0 0.0 0 0.0 0 0.0 0 0.0 13 56
101 B 403 ASN N t > T - 0 0 -90.6 -169.0 -178.0 -77.2 48.9 100.6 105 -2.3 143 -2.3 0 0.0 104 -1.6 17 55
102 B 404 ALA A T T 3 TS+ 0 0 -65.0 -16.2 -179.8 55.1 131.9 48.2 72 -0.5 0 0.0 0 0.0 0 0.0 12 45
103 B 405 SER S T T 3 TS- 0 0 -91.2 -10.5 -177.9 -107.9 120.2 57.2 0 0.0 0 0.0 0 0.0 0 0.0 12 42
104 B 406 GLY G S t < TS+ 0 0 88.5 18.3 -178.6 138.7 77.4 50.1 101 -1.6 0 0.0 0 0.0 0 0.0 12 46
105 B 407 ARG R - 0 0 -102.6 127.7 178.2 -146.7 43.9 147.6 0 0.0 101 -2.3 0 0.0 0 0.0 14 44
106 B 408 TYR Y - 0 0 -91.8 145.8 178.1 -125.0 20.2 133.7 0 0.0 108 -2.0 0 0.0 0 0.0 10 45
107 B 409 ARG R S S S+ 0 0 -86.3 71.6 -177.9 120.5 72.9 124.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
108 B 410 HIS H S t > TS- 0 0 -139.1 139.0 -179.8 -125.2 72.4 176.5 106 -2.0 111 -2.1 0 0.0 0 0.0 5 24
109 B 411 PRO P T T 3 TS+ 0 0 -52.1 -36.7 -178.8 56.2 109.3 32.1 0 0.0 0 0.0 0 0.0 0 0.0 5 15
110 B 412 ASN N T T 3 TS+ 0 0 -82.0 10.7 -179.7 93.7 86.0 72.7 0 0.0 112 -0.7 0 0.0 0 0.0 4 16
111 B 413 ASP D t < T + 0 0 -110.3 105.9 -179.6 159.3 35.1 150.4 108 -2.1 0 0.0 0 0.0 0 0.0 8 25
112 B 414 GLN Q + 0 0 -108.0 19.5 179.7 147.2 21.8 82.9 110 -0.7 0 0.0 0 0.0 0 0.0 5 21
113 B 415 TYR Y - 0 0 -57.2 139.1 -179.3 -123.3 58.3 106.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
114 B 416 ILE I S S S+ 0 0 -60.2 -12.8 178.5 116.3 79.2 51.3 0 0.0 0 0.0 0 0.0 0 0.0 4 24
115 B 417 GLY G S S S- 0 0 -59.4 136.0 -177.0 -100.5 77.7 112.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
116 B 418 ALA A - 0 0 -69.8 136.9 177.6 -126.5 27.0 109.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
117 B 419 MET M - 0 0 -75.5 147.5 179.5 -139.1 15.7 117.5 0 0.0 0 0.0 0 0.0 0 0.0 9 36
118 B 420 ASP D t > T - 0 0 -112.8 110.6 -179.7 -155.9 2.6 158.6 0 0.0 121 -2.0 0 0.0 0 0.0 8 42
119 B 421 PRO P T T 3 TS+ 0 0 -58.7 -15.5 -179.0 51.2 94.5 47.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
120 B 422 ASN N T T 3 TS+ 0 0 -108.5 15.7 179.8 77.7 97.2 78.6 0 0.0 0 0.0 0 0.0 0 0.0 12 35
121 B 423 PHE F t < T + 0 0 -131.1 133.0 -179.7 174.5 41.9 171.5 118 -2.0 0 0.0 0 0.0 0 0.0 14 48
122 B 424 GLY G - 0 0 -98.6 -51.7 179.3 -138.1 32.7 30.9 0 0.0 0 0.0 0 0.0 0 0.0 9 49
123 B 425 GLY G e + 0 0 102.5 14.5 178.4 89.0 62.8 50.5 0 0.0 99 -2.4 0 0.0 0 0.0 11 55
124 B 426 CYS C E E BF + 98 0 -147.8 150.3 -179.0 151.2 36.3 178.2 0 0.0 0 0.0 0 0.0 0 0.0 9 50
125 B 427 GLY G E E BF - 97 0 -159.3 178.3 -179.2 -155.0 17.3 158.5 97 -2.0 97 -2.1 0 0.0 0 0.0 11 49
126 B 428 ARG R E E BF + 96 0 -160.9 160.5 179.1 170.9 10.9 168.6 58 -1.8 0 0.0 0 0.0 0 0.0 10 50
127 B 429 MET M E E BF - 95 0 -163.1 172.6 177.3 -118.6 28.6 165.7 95 -1.9 95 -3.0 0 0.0 0 0.0 13 51
128 B 430 LEU L E E BF - 94 0 -122.5 134.9 179.1 -117.9 34.0 167.8 0 0.0 0 0.0 0 0.0 0 0.0 11 47
129 B 431 THR T e - 0 0 -69.4 150.7 178.7 -125.4 31.0 113.3 93 -1.8 92 -1.3 0 0.0 0 0.0 15 48
130 B 432 ASP D t > T - 0 0 -82.8 -167.6 -178.4 -74.4 41.9 93.3 134 -1.8 133 -1.7 0 0.0 0 0.0 9 37
131 B 433 ASP D T T 3 TS+ 0 0 -66.5 -14.0 179.0 50.0 133.4 52.4 0 0.0 0 0.0 0 0.0 0 0.0 9 25
132 B 434 ASN N T T 3 TS- 0 0 -104.9 4.9 -179.7 -106.4 119.5 71.1 0 0.0 0 0.0 0 0.0 0 0.0 9 27
133 B 435 GLY G S e < TS+ 0 0 80.2 13.0 -178.4 150.4 71.5 52.3 130 -1.7 82 -2.5 0 0.0 0 0.0 14 38
134 B 436 TYR Y E E BB + 81 0 -83.6 142.1 179.0 177.8 20.5 122.6 0 0.0 130 -1.8 0 0.0 0 0.0 11 39
135 B 437 TYR Y E E BB + 80 0 -139.5 158.4 -179.9 179.5 5.1 162.6 80 -2.2 80 -1.6 0 0.0 0 0.0 12 47
136 B 438 VAL V E E BB + 79 0 -164.3 131.1 177.0 165.1 5.2 154.8 0 0.0 0 0.0 0 0.0 0 0.0 10 52
137 B 439 PHE F E E BB - 78 0 -142.5 163.9 -179.2 -132.6 24.5 161.4 78 -2.5 78 -2.8 0 0.0 0 0.0 11 57
138 B 440 ARG R E E BBa + 77 60 -118.4 149.2 -179.0 139.9 35.9 152.7 59 -2.1 61 -2.5 0 0.0 0 0.0 12 57
139 B 441 THR T E E BB - 76 0 -166.1 -174.7 176.9 -83.1 50.3 160.4 76 -2.7 76 -2.8 0 0.0 0 0.0 11 62
140 B 442 ILE I E E BB - 75 0 -104.9 134.9 179.8 -105.2 53.9 154.3 0 0.0 0 0.0 0 0.0 0 0.0 14 58
141 B 443 LYS K e - 0 0 -64.6 122.7 -179.8 -123.9 40.7 117.9 74 -2.2 0 0.0 0 0.0 0 0.0 11 61
142 B 444 PRO P - 0 0 -67.6 145.8 178.7 -127.5 19.4 110.4 0 0.0 0 0.0 0 0.0 0 0.0 13 57
143 B 445 GLY G - 0 0 -92.4 154.9 179.6 -105.3 25.9 127.6 101 -2.3 0 0.0 0 0.0 0 0.0 13 48
144 B 446 PRO P - 0 0 -68.0 169.8 178.7 -160.1 41.6 102.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
145 B 447 TYR Y E E CG - 155 0 -157.3 150.4 179.9 -111.9 17.3 175.6 155 -1.2 155 -2.7 0 0.0 0 0.0 11 44
146 B 448 PRO P E E CG + 154 0 -78.2 153.7 178.0 172.4 35.1 117.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
147 B 449 TRP W E E CG - 153 0 -155.2 158.6 -178.2 -101.3 37.9 166.3 153 -2.0 149 -1.1 0 0.0 153 -0.9 9 35
148 B 450 ARG R S S S+ 0 0 -96.2 93.1 175.4 108.9 75.5 135.1 0 0.0 0 0.0 0 0.0 0 0.0 7 24
149 B 451 ASN N S S S+ 0 0 -112.8 -78.9 171.9 1.9 106.0 57.9 147 -1.1 0 0.0 0 0.0 0 0.0 9 27
150 B 452 ARG R S t > TS- 0 0 -99.0 150.8 -174.9 -100.1 104.4 143.2 0 0.0 153 -1.2 0 0.0 0 0.0 5 20
151 B 453 ILE I T T 3 TS+ 0 0 -46.5 -40.2 -178.8 40.6 118.7 38.2 0 0.0 0 0.0 0 0.0 0 0.0 6 18
152 B 454 ASN N T T 3 TS+ 0 0 -106.4 50.7 -179.6 146.8 83.1 109.9 0 0.0 0 0.0 0 0.0 0 0.0 8 20
153 B 455 GLU E E E CG < T - 147 0 -89.0 143.5 180.0 -168.7 25.9 131.3 150 -1.2 147 -2.0 147 -0.9 0 0.0 10 29
154 B 456 TRP W E E CG - 146 0 -137.8 128.4 179.3 -142.7 14.4 170.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
155 B 457 ARG R E E CG - 145 0 -84.8 136.7 178.8 -121.8 26.2 129.4 145 -2.7 145 -1.2 0 0.0 0 0.0 12 49
156 B 458 PRO P - 0 0 -71.2 165.0 179.2 -75.6 49.6 112.3 0 0.0 0 0.0 0 0.0 0 0.0 13 46
157 B 459 ALA A S e S+ 0 0 -59.1 135.8 -179.4 162.0 72.7 112.9 0 0.0 178 -0.6 0 0.0 0 0.0 13 54
158 B 460 HIS H E E B H - 0 177 -156.0 162.8 177.5 -137.1 38.7 172.6 0 0.0 0 0.0 0 0.0 0 0.0 13 62
159 B 461 ILE I E E B H - 0 176 -127.7 123.7 179.7 -137.4 23.0 173.4 176 -1.9 176 -2.0 0 0.0 0 0.0 12 64
160 B 462 HIS H E E BEH - 98 175 -76.0 140.9 177.8 -175.0 27.2 123.2 98 -2.2 98 -1.5 0 0.0 0 0.0 11 50
161 B 463 PHE F E E BEH - 97 174 -143.9 151.4 -178.8 -167.9 14.1 173.4 174 -2.6 174 -2.8 0 0.0 0 0.0 12 54
162 B 464 SER S E E BEH - 96 173 -136.5 142.3 178.5 -160.0 6.2 173.1 96 -2.4 96 -2.3 0 0.0 0 0.0 12 43
163 B 465 LEU L E E BEH - 95 172 -130.6 135.2 175.7 -179.6 13.0 170.0 172 -2.8 172 -1.6 0 0.0 0 0.0 12 51
164 B 466 ILE I E E BE + 94 0 -126.5 116.9 -176.6 150.8 29.7 172.7 94 -1.6 94 -2.8 0 0.0 0 0.0 14 45
165 B 467 ALA A - 0 0 -119.0 -129.8 -178.2 -42.8 58.2 82.2 0 0.0 0 0.0 0 0.0 0 0.0 14 53
166 B 468 ASP D S S S+ 0 0 -82.9 -29.2 179.9 37.2 116.3 38.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
167 B 469 GLY G g > T - 0 0 -129.6 145.9 180.0 -135.3 67.7 164.4 0 0.0 170 -1.6 0 0.0 0 0.0 11 46
168 B 470 TRP W G G > TS+ 0 0 -61.8 -32.0 179.2 65.5 108.2 33.6 45 -1.8 171 -1.5 0 0.0 0 0.0 12 37
169 B 471 ALA A G G 3 TS+ 0 0 -61.5 -22.9 180.0 58.2 96.4 41.0 43 -2.0 0 0.0 0 0.0 0 0.0 8 41
170 B 472 GLN Q G G < TS+ 0 0 -82.2 -14.4 -178.2 132.4 72.4 52.0 167 -1.6 0 0.0 0 0.0 0 0.0 12 51
171 B 473 ARG R g < T + 0 0 -43.3 125.7 -178.2 169.7 34.1 96.1 168 -1.5 0 0.0 0 0.0 0 0.0 10 41
172 B 474 LEU L E E BH - 163 0 -150.0 142.1 177.7 -175.2 26.2 176.6 163 -1.6 163 -2.8 0 0.0 0 0.0 8 42
173 B 475 ILE I E E BH + 162 0 -133.4 138.2 -179.2 133.3 27.7 173.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
174 B 476 SER S E E BH - 161 0 -160.1 -161.6 -179.5 -110.1 41.8 145.7 161 -2.8 161 -2.6 0 0.0 0 0.0 7 42
175 B 477 GLN Q E E BH - 160 0 -147.3 145.4 176.2 -152.6 17.1 172.1 0 0.0 0 0.0 0 0.0 0 0.0 9 49
176 B 478 PHE F E E BH - 159 0 -122.5 151.3 -178.4 -154.5 11.2 157.7 159 -2.0 159 -1.9 0 0.0 0 0.0 11 58
177 B 479 TYR Y E E BHi - 158 203 -116.1 176.4 -178.8 -100.2 21.3 129.3 202 -3.3 204 -3.8 0 0.0 0 0.0 13 59
178 B 480 PHE F E E B i> T - 0 204 -107.4 129.3 179.9 -104.0 39.4 150.5 157 -0.6 181 -2.2 0 0.0 0 0.0 11 50
179 B 481 GLU E T e 3 TS+ 0 0 -45.5 131.9 179.5 20.4 103.7 95.6 204 -2.3 0 0.0 0 0.0 0 0.0 8 37
180 B 482 GLY G T T 3 TS+ 0 0 93.5 -19.2 -179.5 141.7 79.1 81.2 0 0.0 0 0.0 0 0.0 0 0.0 4 29
181 B 483 ASP D g X T - 0 0 -59.4 122.5 -178.7 -153.9 41.2 113.0 178 -2.2 184 -1.0 0 0.0 0 0.0 9 31
182 B 484 THR T G G > TS+ 0 0 -73.8 -20.5 -179.9 70.6 86.5 43.3 0 0.0 185 -0.9 0 0.0 0 0.0 7 26
183 B 485 LEU L G G > > TS+ 0 0 -69.5 -14.4 -179.8 81.1 80.0 48.5 0 0.0 186 -1.3 0 0.0 187 -0.9 9 33
184 B 486 ILE I G G 4 X TS+ 0 0 -58.4 -41.8 -178.8 54.1 86.2 28.6 181 -1.0 187 -0.6 0 0.0 0 0.0 10 39
185 B 487 ASP D G G 4 < TS+ 0 0 -72.8 -7.9 -178.8 42.3 113.4 56.4 182 -0.9 0 0.0 0 0.0 0 0.0 5 35
186 B 488 SER S G G 4 < TS+ 0 0 -116.2 -5.4 -178.2 120.0 80.3 61.2 183 -1.3 0 0.0 0 0.0 0 0.0 7 33
187 B 489 CYS C g X < T - 0 0 -69.5 120.2 179.7 -157.9 47.9 117.5 183 -0.9 191 -1.7 184 -0.6 0 0.0 12 44
188 B 490 PRO P T T 4 TS+ 0 0 -63.9 -33.9 -179.5 54.0 93.2 32.5 0 0.0 0 0.0 0 0.0 0 0.0 8 44
189 B 491 ILE I T g 4 > TS+ 0 0 -68.8 -43.4 179.0 45.5 109.2 23.1 0 0.0 192 -1.2 0 0.0 0 0.0 8 51
190 B 492 LEU L G G 4 > TS+ 0 0 -68.4 -30.5 179.7 61.1 107.6 33.8 0 0.0 193 -1.3 0 0.0 0 0.0 8 51
191 B 493 LYS K G G < 3 TS+ 0 0 -76.3 -0.8 177.8 80.7 80.4 62.4 187 -1.7 0 0.0 0 0.0 0 0.0 9 43
192 B 494 THR T G G < TS+ 0 0 -73.9 -18.3 178.9 90.3 76.7 43.7 189 -1.2 0 0.0 0 0.0 0 0.0 11 39
193 B 495 ILE I S g < TS- 0 0 -80.4 122.1 -179.3 -146.6 76.1 132.8 190 -1.3 0 0.0 0 0.0 0 0.0 13 36
194 B 496 PRO P S S S+ 0 0 -54.0 -60.4 -177.4 53.9 70.3 23.0 0 0.0 0 0.0 0 0.0 0 0.0 11 29
195 B 497 SER S h > T - 0 0 -87.8 157.6 179.9 -137.3 69.0 117.6 0 0.0 199 -1.3 0 0.0 0 0.0 7 23
196 B 498 GLU E H H > TS+ 0 0 -75.5 -38.5 179.8 57.3 104.1 31.3 0 0.0 200 -2.0 0 0.0 0 0.0 7 23
197 B 499 GLN Q H H > TS+ 0 0 -62.3 -37.6 178.3 48.9 106.9 29.1 0 0.0 201 -0.7 0 0.0 0 0.0 6 22
198 B 500 GLN Q H H 4 > TS+ 0 0 -69.5 -37.2 178.7 55.1 107.2 27.7 0 0.0 201 -0.6 0 0.0 0 0.0 11 35
199 B 501 ARG R H H < > TS+ 0 0 -60.8 -39.6 179.8 51.0 107.1 24.1 195 -1.3 202 -1.4 0 0.0 0 0.0 12 42
200 B 502 ARG R H H < > TS+ 0 0 -70.8 -18.5 179.0 73.6 93.7 45.9 196 -2.0 203 -1.5 0 0.0 0 0.0 7 41
201 B 503 ALA A T h < < TS+ 0 0 -71.0 -7.5 179.4 56.9 93.3 54.1 197 -0.7 0 0.0 198 -0.6 0 0.0 6 44
202 B 504 LEU L T e < TS+ 0 0 -105.8 11.4 179.9 101.6 83.3 74.4 199 -1.4 177 -3.3 0 0.0 204 -0.6 9 53
203 B 505 ILE I E E Bi < T - 177 0 -102.9 123.9 179.1 -141.7 64.4 149.0 200 -1.5 0 0.0 0 0.0 0 0.0 11 48
204 B 506 ALA A E E Bi - 178 0 -80.0 131.6 -178.3 -134.9 23.4 131.7 177 -3.8 179 -2.3 202 -0.6 0 0.0 12 50
205 B 507 LEU L E E BJ - 220 0 -93.7 141.6 177.7 -106.1 18.3 133.5 220 -2.4 220 -3.0 0 0.0 0 0.0 9 37
206 B 508 GLU E E E BJ - 219 0 -62.3 128.2 -178.4 -160.5 29.0 116.7 0 0.0 208 -0.6 0 0.0 0 0.0 9 33
207 B 509 ASP D e > T + 0 0 -113.9 72.9 -176.3 176.0 14.7 132.6 218 -2.9 210 -2.0 0 0.0 0 0.0 10 30
208 B 510 LYS K G G > TS+ 0 0 -51.2 -39.8 -179.8 59.3 72.2 37.3 206 -0.6 211 -1.7 0 0.0 0 0.0 8 25
209 B 511 SER S G G 3 TS+ 0 0 -66.3 -17.8 179.6 54.1 103.9 44.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
210 B 512 ASN N G G < TS+ 0 0 -100.4 13.1 176.4 120.9 78.6 75.8 207 -2.0 0 0.0 0 0.0 0 0.0 7 26
211 B 513 PHE F g < T - 0 0 -68.5 152.1 177.8 -131.2 63.0 115.1 208 -1.7 213 -0.6 0 0.0 0 0.0 10 25
212 B 514 ILE I B B > C > T - 216 0 -110.9 114.0 -177.6 -109.6 30.6 161.4 216 -3.2 215 -1.8 0 0.0 216 -1.2 8 23
213 B 515 GLU E T T 4 3 TS- 0 0 -46.6 135.0 179.3 -3.8 93.8 93.4 211 -0.6 0 0.0 0 0.0 0 0.0 5 15
214 B 516 ALA A T T 4 3 TS+ 0 0 52.1 30.0 -178.4 59.4 134.4 41.4 0 0.0 0 0.0 0 0.0 0 0.0 4 14
215 B 517 ASP D T T 4 < TS- 0 0 -143.2 -76.4 -177.1 -4.0 98.7 66.5 212 -1.8 0 0.0 0 0.0 0 0.0 7 24
216 B 518 SER S B B < C T - 212 0 -140.1 151.9 176.7 -135.8 44.1 166.1 212 -1.2 212 -3.2 0 0.0 0 0.0 11 34
217 B 519 ARG R E E Bc - 76 0 -91.7 170.5 -178.2 -138.9 29.5 118.1 75 -2.0 77 -2.4 0 0.0 0 0.0 12 34
218 B 520 CYS C E E Bc - 77 0 -141.2 141.6 177.1 -163.6 13.6 174.0 0 0.0 207 -2.9 0 0.0 0 0.0 14 38
219 B 521 TYR Y E E BcJ - 78 206 -121.8 145.0 179.8 -142.7 13.5 161.2 77 -2.6 79 -2.1 0 0.0 0 0.0 13 46
220 B 522 ARG R E E BcJ + 79 205 -107.5 127.9 179.7 167.6 25.1 155.6 205 -3.0 205 -2.4 0 0.0 0 0.0 11 43
221 B 523 PHE F e - 0 0 -146.1 116.1 178.9 -166.2 12.8 156.5 79 -2.4 0 0.0 0 0.0 0 0.0 11 48
222 B 524 ASP D - 0 0 -102.3 149.4 -179.1 -152.0 7.3 139.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
223 B 525 ILE I E E Bd - 82 0 -122.9 135.3 179.4 -157.7 2.3 164.5 81 -2.7 83 -2.5 0 0.0 0 0.0 8 60
224 B 526 THR T E E Bd - 83 0 -115.8 126.8 179.3 -172.8 11.4 162.2 0 0.0 0 0.0 0 0.0 0 0.0 8 58
225 B 527 LEU L E E Bd - 84 0 -109.6 170.0 178.7 -80.4 37.9 129.2 83 -2.7 85 -1.5 0 0.0 0 0.0 10 55
226 B 528 ARG R - 0 0 -66.4 149.5 -179.0 -144.6 50.9 111.4 0 0.0 0 0.0 0 0.0 0 0.0 12 46
227 B 529 GLY G e - 0 0 -121.8 157.4 -179.7 -114.6 7.1 148.9 0 0.0 7 -2.8 0 0.0 0 0.0 10 44
228 B 530 ARG R E E AA - 6 0 -90.0 146.3 177.9 -131.4 23.0 128.4 0 0.0 0 0.0 0 0.0 0 0.0 9 43
229 B 531 ARG R E E A* - 0 0 -90.7 147.8 178.5 -121.0 23.2 131.1 5 -2.2 4 -3.4 0 0.0 0 0.0 9 35
230 B 532 ALA A E E AA - 3 0 -88.2 147.0 179.2 -136.6 22.6 132.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
231 B 533 THR T E E AA + 2 0 -105.9 137.4 178.9 166.3 29.5 150.8 2 -2.9 2 -0.6 0 0.0 0 0.0 10 20
232 B 534 TYR Y S S S+ 0 0 -125.0 -7.1 178.7 24.9 70.9 63.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
233 B 535 PHE F S S S+ 0 0 -125.3 -124.7 179.5 11.3 114.2 87.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
234 B 536 GLU E - 0 0 -58.3 146.6 178.4 -149.4 59.2 104.3 0 0.0 236 -0.6 0 0.0 0 0.0 5 14
235 B 537 ASN N t > T + 0 0 -119.2 86.2 -178.2 160.6 29.2 143.4 0 0.0 238 -0.6 0 0.0 0 0.0 8 21
236 B 538 ASP D T T 3 T + 0 0 -88.0 1.9 -178.9 102.6 45.0 65.6 234 -0.6 0 0.0 0 0.0 0 0.0 4 22
237 B 539 LEU L T T 3 T 0 0 -54.4 -32.4 178.4 999.9 999.9 33.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
238 B 540 THR T t < T 0 0 -139.0 999.9 999.9 999.9 999.9 148.6 235 -0.6 0 0.0 0 0.0 0 0.0 5 18
1eo9B.pdb
1EO9 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE GGGS S TTSGGGTTSS SS HHHH GGGS TTTTBTTTTT SSS SS EEEEEEEEEETTS B TT EEEEE Kabs/Sand
chirality ---------+++---++-++-++++++--+---------+++++-----+++--++++++++++++----+--+--++--+--+-+----+----++-- chirality
bends SSSS S SSSSSSSSSS SS SSSS SSSS SSSS SSSSS SSS SS SSS S bends
turns TTTTT TTTTTTTTTT TTTTTT TTTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33X>3<< >33< >>3<<>3><3X33X33< >33< >33< 3-turns
bridge-2 cccc B FFFFF bridge-2
bridge-1 AA**A a BBBBBBBddd B EEEEE bridge-1
sheets AAAAA BBBBBBBBBB BBBBB sheets
4-turns >444< >>44<< >444< 4-turns
summary EEEEEe gGGGg S tTTgGGGgTtS SS hHHHHh gGGGgtTTTTBTTTTTtSSS SSeEEEEEEEEEEeTt BtTTeEEEEEe summary
sequence IIWGAYAQRNTEDHPPAYAPGYKTSVLRSPKNALISIAETLSEVTAPHFSADKFGPKDNDLILNYAKDGLPIGERVIVHGYVRDQFGRPVKNALVEVWQA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTS SSTT SS TT EEEEE TTSEEEEEEE EEESSSTTEEE SEEEEEEE S GGG EEEEEEETT GGGGG TTGGGSS HHHHH Kabs/Sand
chirality -+-+--+-++++-+----+++-++-+----+-++++-+-------+-++-++----+------+-+-++++-+-----++-+++++-+++++-+-+++++ chirality
bends SSS SSSS SS SS SSS SSSSS S S SSS SS SSSSS SSSSSSS SSSSS bends
turns TTTT TTTT TTTT TTTT TTTT TTTTT TTTTTTTTTTTTTTTT TTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >>3<< >33X>>X<<< >>3<< >>> 3-turns
bridge-2 a HHHHHH ii bridge-2
bridge-1 FFFFF BBBBBBB GGG GGG EEEEE HHHHHH bridge-1
sheets BBBBB BBBBBBB CCC CCC BBBBBBB BBBBBBB sheets
4-turns >444X444< >>>4<< 4-turns
summary tTTt StTTt SS tTTt eEEEEEetTTeEEEEEEEe EEESStTTEEE eEEEEEEE SgGGGgEEEEEEEeTgGGGGGgTgGGGgShHHHHH summary
sequence NASGRYRHPNDQYIGAMDPNFGGCGRMLTDDNGYYVFRTIKPGPYPWRNRINEWRPAHIHFSLIADGWAQRLISQFYFEGDTLIDSCPILKTIPSEQQRR sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTEEEE GGG BTTTBEEEE EEE EEEESS TT Kabs/Sand
chirality ++----++++---+-----+----------+++-++ chirality
bends SS SSS SSS SS bends
turns TTT TTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns <<< >>3<<>33< >33< 3-turns
bridge-2 JJ bridge-2
bridge-1 iiJJ C Ccccc ddd A*AA bridge-1
sheets BBBB BBBB BBB AAAA sheets
4-turns < >444< 4-turns
summary heEEEEeGGGgBTTTBEEEEe EEE eEEEESS tTTt summary
sequence ALIALEDKSNFIEADSRCYRFDITLRGRRATYFENDLT sequence
210 220 230