Secondary structure calculation program - copyright by David Keith Smith, 1989
1sknP.pdb
1SKN COMPLEX (TRANSCRIPTION FACTOR/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 74
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 P 456 GLY G 0 0 999.9 -126.6 177.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 6
2 P 457 ARG R - 0 0 171.7 148.2 178.7 -129.2 999.9 140.8 0 0.0 0 0.0 0 0.0 0 0.0 3 11
3 P 458 GLN Q - 0 0 -96.1 150.9 177.9 -108.9 30.5 124.3 0 0.0 0 0.0 0 0.0 0 0.0 6 16
4 P 459 SER S h > T - 0 0 -71.4 154.5 174.7 -123.3 26.5 113.8 0 0.0 8 -2.1 0 0.0 0 0.0 6 26
5 P 460 LYS K H H > TS+ 0 0 -64.9 -40.0 -179.3 55.0 117.3 21.4 0 0.0 9 -3.0 0 0.0 0 0.0 6 28
6 P 461 ASP D H H > TS+ 0 0 -61.7 -34.7 172.8 51.0 107.4 24.2 0 0.0 10 -2.7 0 0.0 0 0.0 8 38
7 P 462 GLU E H H > TS+ 0 0 -67.1 -36.7 -180.0 46.8 110.7 24.2 0 0.0 11 -1.9 0 0.0 0 0.0 11 33
8 P 463 GLN Q H H X TS+ 0 0 -66.9 -37.8 -178.5 52.2 112.7 23.6 4 -2.1 12 -4.3 0 0.0 0 0.0 9 28
9 P 464 LEU L H H X TS+ 0 0 -59.0 -57.4 177.1 46.3 109.2 22.6 5 -3.0 13 -3.7 0 0.0 0 0.0 8 34
10 P 465 ALA A H H < >TS+ 0 0 -54.7 -40.3 179.9 47.2 117.6 28.8 6 -2.7 15 -2.7 0 0.0 0 0.0 12 36
11 P 466 SER S H H < >5TS+ 0 0 -72.5 -51.4 176.8 46.5 111.9 14.0 7 -1.9 14 -2.0 0 0.0 0 0.0 9 27
12 P 467 ASP D H H < 35TS+ 0 0 -54.3 -45.9 -177.8 47.6 116.0 19.4 8 -4.3 0 0.0 0 0.0 0 0.0 7 24
13 P 468 ASN N T h < 35TS- 0 0 -80.5 10.3 -177.7 -124.3 108.5 72.7 9 -3.7 0 0.0 0 0.0 0 0.0 7 30
14 P 469 GLU E T T <5T - 0 0 48.5 45.8 176.7 -176.1 40.0 32.8 11 -2.0 0 0.0 0 0.0 0 0.0 6 29
15 P 470 LEU L t T - 0 0 -95.3 157.8 -178.7 -115.8 27.0 120.5 0 0.0 22 -5.2 0 0.0 0 0.0 10 40
19 P 474 ALA A H H > TS+ 0 0 -53.8 -49.5 173.9 48.9 121.9 23.6 0 0.0 23 -2.7 0 0.0 0 0.0 12 43
20 P 475 PHE F H H > TS+ 0 0 -56.8 -50.6 177.3 45.4 114.6 18.0 0 0.0 24 -1.8 0 0.0 0 0.0 8 37
21 P 476 GLN Q H H > TS+ 0 0 -56.4 -50.5 179.0 53.9 110.5 18.4 0 0.0 25 -3.4 0 0.0 0 0.0 8 38
22 P 477 ILE I H H < TS+ 0 0 -49.5 -58.7 178.9 40.0 113.9 14.3 18 -5.2 0 0.0 0 0.0 0 0.0 12 47
23 P 478 SER S H H < TS+ 0 0 -65.6 -25.7 -176.7 35.4 125.1 45.3 19 -2.7 0 0.0 0 0.0 0 0.0 11 40
24 P 479 GLU E H H < TS+ 0 0 -106.6 -19.8 -179.0 104.0 88.1 49.7 20 -1.8 0 0.0 0 0.0 0 0.0 9 31
25 P 480 MET M S h < TS- 0 0 -59.7 149.4 175.7 -100.6 82.4 105.7 21 -3.4 0 0.0 0 0.0 0 0.0 8 26
26 P 481 SER S h > > T - 0 0 -70.1 152.0 175.3 -112.1 27.4 110.5 0 0.0 30 -3.2 0 0.0 29 -1.3 6 24
27 P 482 LEU L H H > 3 TS+ 0 0 -45.2 -50.9 -179.9 49.2 118.8 24.9 0 0.0 31 -2.5 0 0.0 0 0.0 6 23
28 P 483 SER S H H > 3 TS+ 0 0 -69.3 -15.8 -177.6 52.4 110.6 38.0 0 0.0 32 -1.1 0 0.0 0 0.0 6 16
29 P 484 GLU E H H > X TS+ 0 0 -75.3 -48.7 -176.9 49.4 108.0 15.7 26 -1.3 33 -2.2 0 0.0 32 -0.8 8 24
30 P 485 LEU L H H X 3 TS+ 0 0 -54.5 -38.0 177.9 60.0 104.8 31.0 26 -3.2 34 -3.1 0 0.0 0 0.0 10 36
31 P 486 GLN Q H H X 3 TS+ 0 0 -65.3 -35.4 177.9 51.1 102.3 23.8 27 -2.5 35 -2.1 0 0.0 0 0.0 8 25
32 P 487 GLN Q H H X < TS+ 0 0 -65.0 -44.7 -178.0 52.4 109.5 12.9 28 -1.1 36 -1.7 29 -0.8 0 0.0 8 21
33 P 488 VAL V H H X TS+ 0 0 -50.8 -43.9 -175.2 45.8 111.6 24.5 29 -2.2 37 -1.4 0 0.0 0 0.0 8 33
34 P 489 LEU L H H < TS+ 0 0 -75.5 -32.2 177.8 49.3 111.1 32.6 30 -3.1 0 0.0 0 0.0 0 0.0 8 31
35 P 490 LYS K H H < TS+ 0 0 -75.1 -20.0 -174.6 40.9 118.9 56.9 31 -2.1 0 0.0 0 0.0 0 0.0 6 20
36 P 491 ASN N H H < TS+ 0 0 -105.0 -17.4 -175.7 77.5 100.1 50.0 32 -1.7 0 0.0 0 0.0 0 0.0 6 17
37 P 492 GLU E S h < TS- 0 0 -99.6 153.1 173.4 -123.8 73.2 132.7 33 -1.4 39 -0.7 0 0.0 0 0.0 7 24
38 P 493 SER S + 0 0 -92.7 110.9 -173.4 166.6 45.7 148.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
39 P 494 LEU L - 0 0 -136.0 109.1 175.5 -131.3 34.6 153.1 37 -0.7 0 0.0 0 0.0 0 0.0 8 27
40 P 495 SER S h > T - 0 0 -48.8 162.5 174.0 -108.2 34.7 97.0 0 0.0 44 -2.6 0 0.0 0 0.0 6 21
41 P 496 GLU E H H > TS+ 0 0 -56.6 -48.5 175.2 55.8 122.8 24.4 0 0.0 45 -3.5 0 0.0 0 0.0 6 20
42 P 497 TYR Y H H > TS+ 0 0 -50.3 -57.7 176.0 47.9 108.6 11.7 0 0.0 46 -3.4 0 0.0 0 0.0 7 23
43 P 498 GLN Q H H > TS+ 0 0 -51.1 -41.8 176.4 49.8 113.1 23.5 0 0.0 47 -2.9 0 0.0 0 0.0 10 34
44 P 499 ARG R H H X TS+ 0 0 -61.8 -42.2 -178.3 45.9 112.2 26.8 40 -2.6 48 -1.4 0 0.0 0 0.0 9 36
45 P 500 GLN Q H H X > TS+ 0 0 -63.0 -54.8 177.6 53.5 111.0 10.0 41 -3.5 49 -2.3 0 0.0 48 -1.0 8 31
46 P 501 LEU L H H X 3 TS+ 0 0 -42.6 -58.1 -178.8 56.6 102.9 23.9 42 -3.4 50 -2.9 0 0.0 0 0.0 8 38
47 P 502 ILE I H H X 3 TS+ 0 0 -50.1 -34.3 179.8 48.3 108.7 33.3 43 -2.9 51 -1.6 0 0.0 0 0.0 9 48
48 P 503 ARG R H H X < TS+ 0 0 -74.8 -38.8 179.4 49.0 110.4 28.0 44 -1.4 52 -2.2 45 -1.0 0 0.0 8 40
49 P 504 LYS K H H X TS+ 0 0 -66.4 -40.3 177.5 52.3 110.7 24.1 45 -2.3 53 -2.5 0 0.0 0 0.0 8 34
50 P 505 ILE I H H X TS+ 0 0 -57.5 -43.2 -177.2 48.0 109.1 27.4 46 -2.9 54 -2.6 0 0.0 0 0.0 12 44
51 P 506 ARG R H H X TS+ 0 0 -66.8 -44.1 174.8 53.9 110.1 21.7 47 -1.6 55 -3.2 0 0.0 0 0.0 12 41
52 P 507 ARG R H H X TS+ 0 0 -48.5 -62.7 -179.8 37.7 115.9 16.0 48 -2.2 56 -3.3 0 0.0 0 0.0 9 32
53 P 508 ARG R H H X TS+ 0 0 -56.7 -49.0 -176.4 56.6 114.1 18.0 49 -2.5 57 -2.5 0 0.0 0 0.0 8 31
54 P 509 GLY G H H X TS+ 0 0 -53.2 -45.6 -179.5 38.2 113.5 30.3 50 -2.6 58 -0.9 0 0.0 0 0.0 12 37
55 P 510 LYS K H H X TS+ 0 0 -77.2 -32.8 179.4 56.3 114.9 32.6 51 -3.2 59 -1.5 0 0.0 0 0.0 10 29
56 P 511 ASN N H H X TS+ 0 0 -71.1 -24.8 -174.9 57.6 98.8 36.9 52 -3.3 60 -3.7 0 0.0 0 0.0 8 22
57 P 512 LYS K H H X TS+ 0 0 -75.8 -34.8 177.8 48.6 106.7 7.8 53 -2.5 61 -2.8 0 0.0 0 0.0 8 24
58 P 513 VAL V H H X TS+ 0 0 -57.9 -35.4 -175.5 49.8 113.0 30.1 54 -0.9 62 -1.0 0 0.0 0 0.0 8 23
59 P 514 ALA A H H X TS+ 0 0 -70.5 -49.3 178.7 57.4 102.5 10.1 55 -1.5 63 -1.5 0 0.0 0 0.0 8 20
60 P 515 ALA A H H X TS+ 0 0 -40.6 -53.8 177.5 59.6 105.6 23.2 56 -3.7 64 -1.7 0 0.0 0 0.0 8 18
61 P 516 ARG R H H X > TS+ 0 0 -35.6 -99.6 177.8 40.7 104.3 31.0 57 -2.8 64 -1.6 0 0.0 65 -1.2 8 17
62 P 517 THR T H H X > TS+ 0 0 -15.1 -73.8 179.0 62.4 108.9 43.7 58 -1.0 66 -2.9 0 0.0 65 -1.3 9 17
63 P 518 CYS C H H X 3 TS+ 0 0 -17.2 -69.6 -180.0 42.2 109.0 38.0 59 -1.5 67 -4.2 0 0.0 0 0.0 8 17
64 P 519 ARG R H H X < TS+ 0 0 -52.7 -44.1 176.3 52.4 112.4 36.4 60 -1.7 68 -4.5 61 -1.6 0 0.0 9 17
65 P 520 GLN Q H H X < TS+ 0 0 -60.9 -54.3 176.9 40.9 115.8 12.0 62 -1.3 69 -3.1 61 -1.2 0 0.0 9 17
66 P 521 ARG R H H X TS+ 0 0 -56.2 -41.7 180.0 48.9 118.8 28.3 62 -2.9 70 -2.0 0 0.0 0 0.0 8 16
67 P 522 ARG R H H X TS+ 0 0 -54.3 -63.3 -179.5 34.2 121.2 7.3 63 -4.2 71 -1.7 0 0.0 0 0.0 9 15
68 P 523 THR T H H < TS+ 0 0 -66.1 -26.5 179.0 48.8 121.6 55.0 64 -4.5 0 0.0 0 0.0 0 0.0 9 15
69 P 524 ASP D H H X >TS+ 0 0 -77.3 -64.6 -179.7 49.0 109.3 17.9 65 -3.1 73 -1.4 0 0.0 74 -0.6 10 14
70 P 525 ARG R H H < 5TS+ 0 0 -47.3 -39.4 177.2 20.9 127.0 40.0 66 -2.0 0 0.0 0 0.0 0 0.0 9 13
71 P 526 HIS H T h < 5TS+ 0 0 -100.1 -79.0 178.4 63.9 108.7 35.7 67 -1.7 0 0.0 0 0.0 0 0.0 7 12
72 P 527 ASP D T T 4 5TS- 0 0 -5.1 -62.0 179.0 -3.8 132.9 53.6 0 0.0 0 0.0 0 0.0 0 0.0 6 11
73 P 528 LYS K T T < 5T 0 0 -104.6 -83.5 -178.3 999.9 999.9 36.3 69 -1.4 0 0.0 0 0.0 0 0.0 6 10
74 P 529 MET M t 5555< >5555< 5-turns
3-turns >33< >33X33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XX<<<< >>>><<<<>>>>XXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXXXXX