Secondary structure calculation program - copyright by David Keith Smith, 1989
1dgwY.pdb
1DGW PLANT PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 92
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 Y 332 GLN Q 0 0 999.9 156.4 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 5
2 Y 333 LEU L - 0 0 -95.3 151.1 -179.4 -173.7 999.9 132.2 0 0.0 0 0.0 0 0.0 0 0.0 3 9
3 Y 334 ARG R - 0 0 -150.9 144.4 179.5 -148.0 19.1 176.3 0 0.0 0 0.0 0 0.0 0 0.0 4 12
4 Y 335 ARG R - 0 0 -114.3 125.8 179.2 -167.7 7.6 162.3 0 0.0 6 -0.7 0 0.0 0 0.0 4 16
5 Y 336 TYR Y + 0 0 -113.5 96.0 -179.5 172.7 20.0 152.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
6 Y 337 ALA A + 0 0 -106.2 149.8 179.6 134.9 8.3 141.9 4 -0.7 0 0.0 0 0.0 0 0.0 4 21
7 Y 338 ALA A - 0 0 176.9 157.0 179.7 -118.4 46.1 156.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
8 Y 339 THR T - 0 0 -109.0 125.0 179.4 -154.8 28.2 159.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
9 Y 340 LEU L - 0 0 -100.7 147.5 178.7 -160.2 7.2 141.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
10 Y 341 SER S t > T - 0 0 -115.8 173.2 179.4 -46.1 48.5 132.3 0 0.0 13 -3.0 0 0.0 0 0.0 5 19
11 Y 342 GLU E T T 3 TS+ 0 0 -37.3 134.9 178.0 16.0 131.1 91.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
12 Y 343 GLY G T T 3 TS+ 0 0 86.5 -28.0 179.7 124.9 95.5 85.7 0 0.0 0 0.0 0 0.0 0 0.0 5 14
13 Y 344 ASP D t < T - 0 0 -66.8 157.4 -179.0 -154.9 43.7 103.8 10 -3.0 0 0.0 0 0.0 0 0.0 6 17
14 Y 345 ILE I - 0 0 -136.0 148.1 177.4 -170.6 12.7 167.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
15 Y 346 ILE I - 0 0 -139.6 129.6 179.4 -145.3 15.1 174.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
16 Y 347 VAL V - 0 0 -96.1 130.9 179.4 -157.8 9.6 145.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
17 Y 348 ILE I - 0 0 -112.8 102.7 179.8 -142.2 12.6 152.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
18 Y 349 PRO P t > T - 0 0 -61.9 136.9 -179.4 -96.2 33.6 109.6 0 0.0 21 -1.9 0 0.0 0 0.0 5 22
19 Y 350 SER S T T 3 TS+ 0 0 -53.7 148.8 179.5 21.0 107.8 99.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
20 Y 351 SER S T T 3 TS+ 0 0 75.7 -12.6 178.4 120.7 90.5 75.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
21 Y 352 PHE F t < T - 0 0 -81.7 132.0 179.5 -117.8 69.8 133.6 18 -1.9 0 0.0 0 0.0 0 0.0 6 23
22 Y 353 PRO P - 0 0 -69.9 143.5 -179.1 -177.1 40.4 119.3 0 0.0 0 0.0 0 0.0 0 0.0 4 25
23 Y 354 VAL V + 0 0 -146.2 151.2 -179.7 167.8 18.0 172.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
24 Y 355 ALA A - 0 0 -155.7 148.8 178.9 -171.8 8.4 167.7 0 0.0 0 0.0 0 0.0 0 0.0 4 35
25 Y 356 LEU L - 0 0 -152.5 139.2 -179.6 -145.7 12.3 170.2 0 0.0 0 0.0 0 0.0 0 0.0 4 33
26 Y 357 LYS K - 0 0 -104.8 140.5 179.5 -120.6 24.2 147.0 0 0.0 28 -0.8 0 0.0 0 0.0 5 23
27 Y 358 ALA A - 0 0 -82.7 109.8 179.0 -172.8 20.7 134.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
28 Y 359 ALA A S S S- 0 0 -65.6 -38.0 178.6 -8.9 80.2 27.3 26 -0.8 0 0.0 0 0.0 0 0.0 5 20
29 Y 360 SER S S S S- 0 0 -143.7 -178.5 179.3 -41.2 116.0 142.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
30 Y 361 ASP D S S S- 0 0 -53.2 110.3 -177.5 -154.7 73.3 110.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
31 Y 362 LEU L + 0 0 -102.2 149.2 177.1 177.0 27.5 132.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
32 Y 363 ASN N + 0 0 -144.2 109.7 -179.2 168.1 18.9 154.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
33 Y 364 MET M - 0 0 -123.5 170.7 -179.7 -146.6 23.5 140.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
34 Y 365 VAL V - 0 0 -136.8 135.3 179.0 -162.4 9.4 177.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
35 Y 366 GLY G - 0 0 -122.2 135.5 177.8 -162.5 7.1 165.8 0 0.0 37 -0.7 0 0.0 0 0.0 4 24
36 Y 367 ILE I - 0 0 -115.4 99.3 -179.0 -163.6 19.6 154.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
37 Y 368 GLY G - 0 0 -91.0 131.8 179.8 -157.2 1.8 136.5 35 -0.7 0 0.0 0 0.0 0 0.0 5 20
38 Y 369 VAL V S S S+ 0 0 -102.9 153.8 -179.7 24.3 73.6 133.9 0 0.0 0 0.0 0 0.0 0 0.0 4 16
39 Y 370 ASN N S S S+ 0 0 59.4 45.7 -176.6 155.9 78.3 22.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
40 Y 371 ALA A t > T + 0 0 -82.5 -14.6 -179.8 125.7 14.9 53.8 0 0.0 43 -2.0 0 0.0 0 0.0 6 14
41 Y 372 GLU E T T 3 TS- 0 0 -51.0 131.1 -179.9 -2.2 89.3 102.4 0 0.0 0 0.0 0 0.0 0 0.0 4 10
42 Y 373 ASN N T T 3 TS+ 0 0 55.4 29.6 178.4 160.2 95.2 40.2 0 0.0 0 0.0 0 0.0 0 0.0 4 11
43 Y 374 ASN N t < T - 0 0 -74.5 158.0 177.3 -179.1 14.8 112.0 40 -2.0 0 0.0 0 0.0 0 0.0 5 17
44 Y 375 GLU E - 0 0 -159.5 145.0 179.1 -129.0 22.0 164.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
45 Y 376 ARG R - 0 0 -96.5 147.9 179.2 -165.0 17.4 136.8 0 0.0 0 0.0 0 0.0 0 0.0 4 30
46 Y 377 ASN N - 0 0 -135.1 122.6 -179.5 -147.4 9.4 169.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
47 Y 378 PHE F B B a - 54 0 -94.2 145.0 -178.7 -166.2 12.2 132.7 53 -2.2 55 -2.9 0 0.0 0 0.0 10 32
48 Y 379 LEU L S S S+ 0 0 -99.5 -16.2 179.2 31.7 79.4 55.3 0 0.0 0 0.0 0 0.0 0 0.0 7 36
49 Y 380 ALA A S S S+ 0 0 -134.5 168.3 179.7 55.3 90.0 148.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
50 Y 381 GLY G S S S- 0 0 95.0 166.6 -179.9 -82.2 82.9 95.9 0 0.0 0 0.0 0 0.0 0 0.0 14 31
51 Y 382 HIS H S t > TS+ 0 0 -73.2 -62.3 -179.1 54.1 104.3 11.4 84 -1.3 54 -0.7 0 0.0 0 0.0 11 29
52 Y 383 LYS K T T 3 TS+ 0 0 -82.4 143.3 179.0 2.2 118.6 121.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
53 Y 384 GLU E T T 3 TS+ 0 0 59.4 24.3 178.7 151.1 83.7 45.0 0 0.0 47 -2.2 0 0.0 55 -0.6 7 23
54 Y 385 ASN N B B a < T - 47 0 -88.3 121.2 -179.1 -168.8 28.2 139.7 51 -0.7 0 0.0 0 0.0 0 0.0 12 34
55 Y 386 VAL V S t > > TS+ 0 0 -76.3 -45.3 -179.3 65.0 83.2 21.6 47 -2.9 58 -4.0 53 -0.6 59 -1.0 10 30
56 Y 387 ILE I T T 4 3 TS+ 0 0 -46.1 -27.2 -179.0 60.2 101.4 32.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38
57 Y 388 ARG R T T 4 3 TS+ 0 0 -78.9 -10.5 -179.7 53.8 97.4 57.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
58 Y 389 GLN Q T T 4 < TS+ 0 0 -100.1 -10.9 178.8 111.9 76.7 54.0 55 -4.0 0 0.0 0 0.0 0 0.0 6 29
59 Y 390 ILE I S t < TS- 0 0 -63.3 120.8 -179.9 -107.7 81.0 118.5 55 -1.0 0 0.0 0 0.0 0 0.0 8 32
60 Y 391 PRO P h > T - 0 0 -50.8 146.3 -179.9 -115.8 21.7 95.7 0 0.0 64 -2.3 0 0.0 0 0.0 6 23
61 Y 392 ARG R H H > TS+ 0 0 -51.0 -48.8 -179.5 54.0 112.4 24.5 0 0.0 65 -1.2 0 0.0 0 0.0 9 25
62 Y 393 GLN Q H H 4 > TS+ 0 0 -49.7 -67.2 -178.5 37.1 114.7 15.6 0 0.0 65 -1.3 0 0.0 0 0.0 7 20
63 Y 394 VAL V H H > > TS+ 0 0 -61.3 -27.9 179.3 64.8 107.9 43.1 0 0.0 67 -1.3 0 0.0 66 -1.1 8 21
64 Y 395 SER S H H X 3 TS+ 0 0 -68.5 -24.8 -179.6 63.2 93.3 36.4 60 -2.3 68 -1.9 0 0.0 0 0.0 11 26
65 Y 396 ASP D H H < < TS+ 0 0 -72.1 -14.7 -179.7 38.3 110.6 47.4 62 -1.3 0 0.0 61 -1.2 0 0.0 11 23
66 Y 397 LEU L H H 4 < TS+ 0 0 -107.2 -18.5 -179.8 54.5 113.3 52.6 63 -1.1 0 0.0 0 0.0 0 0.0 7 18
67 Y 398 THR T H H < TS+ 0 0 -85.6 -33.9 179.1 34.3 114.5 35.3 63 -1.3 0 0.0 0 0.0 0 0.0 6 21
68 Y 399 PHE F S h < TS- 0 0 -119.1 159.8 180.0 -120.7 81.1 145.8 64 -1.9 0 0.0 0 0.0 0 0.0 8 25
69 Y 400 PRO P S S S+ 0 0 -66.0 -33.8 179.6 99.3 84.2 30.6 0 0.0 0 0.0 0 0.0 0 0.0 6 19
70 Y 401 GLY G S S S- 0 0 -47.8 166.4 -178.4 -101.9 86.3 84.1 0 0.0 72 -0.9 0 0.0 0 0.0 8 22
71 Y 402 SER S t > T - 0 0 -103.0 90.8 178.2 -94.4 48.7 140.5 0 0.0 73 -3.2 0 0.0 74 -2.1 8 20
72 Y 403 GLY G T h > 3 TS+ 0 0 39.9 -58.9 -179.6 37.6 123.6 91.2 70 -0.9 76 -0.8 0 0.0 0 0.0 10 24
73 Y 404 GLU E H H > 3 TS+ 0 0 -88.5 -30.2 -179.2 69.5 104.7 39.0 71 -3.2 77 -2.8 0 0.0 0 0.0 8 25
74 Y 405 GLU E H H > < TS+ 0 0 -56.1 -39.9 179.5 44.1 102.5 28.7 71 -2.1 78 -2.4 0 0.0 0 0.0 8 24
75 Y 406 VAL V H H > TS+ 0 0 -72.0 -45.7 179.4 51.6 111.9 22.1 0 0.0 79 -2.9 0 0.0 0 0.0 11 32
76 Y 407 GLU E H H < TS+ 0 0 -56.1 -45.5 179.1 46.4 113.5 22.1 72 -0.8 0 0.0 0 0.0 0 0.0 10 34
77 Y 408 GLU E H H < > TS+ 0 0 -59.5 -61.2 179.4 50.1 111.6 9.1 73 -2.8 80 -2.6 0 0.0 0 0.0 8 27
78 Y 409 LEU L H H < > TS+ 0 0 -42.1 -55.8 -178.9 59.8 103.8 25.7 74 -2.4 81 -1.9 0 0.0 0 0.0 7 29
79 Y 410 LEU L T h < 3 TS+ 0 0 -60.7 6.9 179.4 47.6 107.5 68.0 75 -2.9 0 0.0 0 0.0 0 0.0 12 36
80 Y 411 GLU E T T < TS+ 0 0 -129.9 5.5 179.5 99.4 71.7 68.2 77 -2.6 0 0.0 0 0.0 0 0.0 9 29
81 Y 412 ASN N S t < TS+ 0 0 -72.7 8.8 -179.8 72.8 80.8 67.9 78 -1.9 0 0.0 0 0.0 0 0.0 6 22
82 Y 413 GLN Q + 0 0 -126.3 113.2 179.3 173.9 54.4 168.2 0 0.0 0 0.0 0 0.0 0 0.0 8 26
83 Y 414 LYS K + 0 0 -91.0 -21.7 179.3 81.9 61.8 45.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
84 Y 415 GLU E - 0 0 -80.5 159.2 -178.5 -145.5 69.8 114.4 0 0.0 51 -1.3 0 0.0 0 0.0 8 20
85 Y 416 SER S - 0 0 -129.1 162.7 179.4 -7.7 56.7 149.5 0 0.0 87 -4.2 0 0.0 0 0.0 10 25
86 Y 417 TYR Y S S S+ 0 0 55.4 -55.1 -179.1 46.6 124.1 98.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
87 Y 418 PHE F S S S+ 0 0 -120.5 134.0 -179.2 163.5 71.5 163.8 85 -4.2 0 0.0 0 0.0 0 0.0 5 28
88 Y 419 VAL V - 0 0 -128.1 -158.0 -179.7 -82.9 32.2 113.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
89 Y 420 ASP D - 0 0 -99.7 -168.7 179.6 -155.7 15.3 101.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21
90 Y 421 GLY G + 0 0 -164.8 33.9 -178.8 121.6 48.2 86.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
91 Y 422 GLN Q 0 0 -114.2 106.2 179.6 999.9 999.9 152.1 0 0.0 0 0.0 0 0.0 0 0.0 3 10
92 Y 423 PRO P 0 0 -86.7 999.9 999.9 999.9 999.9 92.6 0 0.0 0 0.0 0 0.0 0 0.0 2 5
1dgwY.pdb
1DGW PLANT PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT TT SSS SS TT BSSSSTTBSTTTS HHHHHHHSSS THHHHHHTTS SS Kabs/Sand
chirality ---++----++------++--+-------++-----+++-+-----++-+++-++++--+++++++-+--++++++++++++--++--+ chirality
bends SS SS SSS SS SS SSSSSS SSSSS SSSSSSSSSS SSSSSSSSSS SS bends
turns TTTT TTTT TTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33<>33< >>3<< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 a a bridge-1
sheets sheets
4-turns >444<>>4>X<4<< >>>><<<< 4-turns
summary tTTt tTTt SSS SStTTt BSSStTTBtTTTthHHHHHHHhSSthHHHHHHhTt SS summary
sequence QLRRYAATLSEGDIIVIPSSFPVALKAASDLNMVGIGVNAENNERNFLAGHKENVIRQIPRQVSDLTFPGSGEEVEELLENQKESYFVDGQP sequence
10 20 30 40 50 60 70 80 90