Secondary structure calculation program - copyright by David Keith Smith, 1989
1i27A.pdb
1I27 TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 73
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 445 GLY G g > T 0 0 999.9 -179.1 -177.8 999.9 999.9 999.9 0 0.0 4 -1.7 0 0.0 0 0.0 7 22
2 A 446 PRO P G G > T - 0 0 -57.5 139.3 173.0 -0.5 999.9 105.3 0 0.0 5 -2.2 0 0.0 0 0.0 5 12
3 A 447 LEU L G G 3 TS- 0 0 58.3 23.1 175.9 -55.3 135.0 48.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10
4 A 448 GLY G G G < TS+ 0 0 89.8 3.7 172.2 137.8 101.1 61.0 1 -1.7 0 0.0 0 0.0 0 0.0 5 15
5 A 449 SER S g < T + 0 0 -68.4 158.2 175.4 134.6 22.1 109.6 2 -2.2 0 0.0 0 0.0 0 0.0 6 17
6 A 450 GLY G - 0 0 169.6 168.8 -177.4 -52.2 59.3 156.5 0 0.0 0 0.0 0 0.0 0 0.0 10 27
7 A 451 ASP D - 0 0 -63.4 139.9 175.2 -173.6 35.5 112.5 32 -0.7 0 0.0 0 0.0 0 0.0 12 33
8 A 452 VAL V S S S+ 0 0 -109.4 -5.7 172.1 46.7 73.3 62.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
9 A 453 GLN Q S S S- 0 0 -129.6 149.4 176.3 -132.8 77.0 165.4 0 0.0 11 -0.8 0 0.0 0 0.0 7 36
10 A 454 VAL V + 0 0 -102.9 103.8 -170.9 151.4 49.2 153.9 0 0.0 0 0.0 0 0.0 0 0.0 12 42
11 A 455 THR T h > T - 0 0 -134.7 159.6 171.5 -113.3 61.4 155.8 9 -0.8 15 -2.5 0 0.0 0 0.0 8 35
12 A 456 GLU E H H > TS+ 0 0 -55.5 -44.3 -179.6 56.5 117.6 26.4 0 0.0 16 -3.0 0 0.0 0 0.0 9 35
13 A 457 ASP D H H > TS+ 0 0 -57.0 -43.8 -178.6 45.8 108.9 24.2 0 0.0 17 -2.0 0 0.0 0 0.0 6 30
14 A 458 ALA A H H > TS+ 0 0 -67.1 -44.0 178.0 47.3 113.9 21.7 0 0.0 18 -1.8 0 0.0 0 0.0 10 42
15 A 459 VAL V H H X TS+ 0 0 -62.9 -41.0 179.5 54.2 110.1 23.2 11 -2.5 19 -2.8 0 0.0 0 0.0 11 48
16 A 460 ARG R H H X TS+ 0 0 -59.8 -43.7 179.0 54.6 104.6 24.5 12 -3.0 20 -1.8 0 0.0 0 0.0 9 42
17 A 461 ARG R H H X TS+ 0 0 -56.1 -45.7 -178.6 42.2 113.3 21.9 13 -2.0 21 -0.7 0 0.0 0 0.0 8 32
18 A 462 TYR Y H H X > TS+ 0 0 -68.5 -45.1 -173.7 49.2 114.0 21.6 14 -1.8 22 -1.5 0 0.0 21 -0.9 10 39
19 A 463 LEU L H H < 3 TS+ 0 0 -73.8 -18.7 173.6 57.8 105.4 46.3 15 -2.8 71 -2.6 0 0.0 0 0.0 13 41
20 A 464 A THR T H H < 3 TS+ 0 0 -78.5 -19.7 176.5 51.9 106.4 45.4 16 -1.8 0 0.0 0 0.0 0 0.0 10 28
21 A 465 ARG R H H < < TS- 0 0 -80.1 -42.6 -177.5 -28.1 128.4 27.7 18 -0.9 0 0.0 17 -0.7 0 0.0 8 24
22 A 466 A LYS K S h < TS- 0 0 -167.1 156.2 174.7 -79.3 74.5 164.5 18 -1.5 0 0.0 0 0.0 0 0.0 9 29
23 A 467 PRO P - 0 0 -64.5 142.6 -175.2 -176.9 52.2 114.4 0 0.0 0 0.0 0 0.0 0 0.0 12 36
24 A 468 A MET M B B A - 69 0 -143.2 145.8 169.4 -133.0 21.8 174.4 69 -2.2 69 -3.0 0 0.0 0 0.0 12 41
25 A 469 THR T h > T - 0 0 -83.9 172.2 173.1 -101.3 39.0 112.3 0 0.0 29 -2.4 0 0.0 0 0.0 10 39
26 A 470 A THR T H H > TS+ 0 0 -59.1 -42.0 177.8 52.4 125.8 22.3 0 0.0 30 -2.7 0 0.0 0 0.0 7 47
27 A 471 LYS K H H > TS+ 0 0 -59.8 -42.4 179.8 51.1 108.5 23.8 0 0.0 31 -1.5 0 0.0 0 0.0 7 30
28 A 472 ASP D H H > TS+ 0 0 -61.4 -43.8 179.8 47.4 111.3 23.1 0 0.0 32 -0.5 0 0.0 0 0.0 8 37
29 A 473 LEU L H H < > TS+ 0 0 -65.6 -40.3 -179.7 59.0 105.0 26.3 25 -2.4 32 -1.6 0 0.0 0 0.0 11 50
30 A 474 LEU L H H < > TS+ 0 0 -58.8 -33.4 178.9 62.9 96.4 30.8 26 -2.7 33 -1.5 0 0.0 0 0.0 11 46
31 A 475 LYS K H H < 3 TS+ 0 0 -62.4 -22.9 -179.9 57.1 98.4 39.0 27 -1.5 0 0.0 0 0.0 0 0.0 7 37
32 A 476 LYS K T h < < TS+ 0 0 -80.5 -15.2 -175.3 60.4 100.5 51.4 29 -1.6 7 -0.7 28 -0.5 34 -0.6 9 44
33 A 477 PHE F S t < TS- 0 0 -119.4 88.0 -170.4 -176.5 75.7 144.6 30 -1.5 0 0.0 0 0.0 0 0.0 14 45
34 A 478 GLN Q h > > T - 0 0 -95.4 137.1 177.6 -134.3 32.9 133.3 32 -0.6 38 -2.6 0 0.0 37 -2.1 13 36
35 A 479 THR T H H > 3 TS+ 0 0 -53.9 -36.0 179.6 64.9 105.6 33.7 0 0.0 39 -2.4 0 0.0 0 0.0 9 28
36 A 480 A LYS K H H 4 3 TS+ 0 0 -60.9 -23.5 178.0 30.8 115.1 42.3 0 0.0 0 0.0 0 0.0 0 0.0 5 23
37 A 481 LYS K H H 4 < TS+ 0 0 -99.1 -39.8 -172.1 32.5 130.1 39.9 34 -2.1 0 0.0 0 0.0 0 0.0 9 26
38 A 482 THR T H H < TS- 0 0 -91.8 -28.3 -168.7 -136.5 85.9 41.8 34 -2.6 0 0.0 0 0.0 0 0.0 11 30
39 A 483 GLY G h < T + 0 0 76.4 3.7 178.4 126.7 63.7 62.4 35 -2.4 0 0.0 0 0.0 0 0.0 8 22
40 A 484 LEU L - 0 0 -92.7 143.2 175.3 -118.7 61.8 135.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
41 A 485 SER S h > T - 0 0 -67.5 166.6 174.5 -105.1 30.1 103.5 0 0.0 45 -2.5 0 0.0 0 0.0 7 22
42 A 486 SER S H H > TS+ 0 0 -61.1 -38.1 177.2 51.5 123.5 25.8 0 0.0 46 -2.7 0 0.0 0 0.0 7 27
43 A 487 GLU E H H > TS+ 0 0 -64.3 -46.8 179.5 46.6 110.8 19.9 0 0.0 47 -2.2 0 0.0 0 0.0 7 22
44 A 488 GLN Q H H > TS+ 0 0 -60.3 -38.4 -176.9 49.6 114.3 27.3 0 0.0 48 -2.0 0 0.0 0 0.0 8 27
45 A 489 THR T H H X TS+ 0 0 -69.7 -47.4 178.4 46.4 110.7 19.0 41 -2.5 49 -2.5 0 0.0 0 0.0 12 35
46 A 490 A VAL V H H X TS+ 0 0 -62.6 -37.2 -176.6 54.3 111.4 26.7 42 -2.7 50 -2.4 0 0.0 0 0.0 9 32
47 A 491 ASN N H H X TS+ 0 0 -66.9 -43.7 -179.6 41.1 112.0 18.8 43 -2.2 51 -1.7 0 0.0 0 0.0 8 28
48 A 492 VAL V H H X TS+ 0 0 -74.1 -32.8 173.1 55.9 112.5 26.8 44 -2.0 52 -2.7 0 0.0 0 0.0 9 36
49 A 493 A LEU L H H X TS+ 0 0 -58.5 -40.3 177.7 52.2 105.9 22.4 45 -2.5 53 -2.8 0 0.0 0 0.0 11 45
50 A 494 ALA A H H X TS+ 0 0 -60.9 -41.6 178.0 48.6 109.8 24.8 46 -2.4 54 -2.4 0 0.0 0 0.0 8 32
51 A 495 A GLN Q H H X TS+ 0 0 -61.5 -45.8 -179.3 49.4 111.9 23.6 47 -1.7 55 -2.0 0 0.0 0 0.0 8 27
52 A 496 ILE I H H X TS+ 0 0 -60.9 -46.0 -177.0 45.5 113.0 22.2 48 -2.7 56 -2.8 0 0.0 0 0.0 11 35
53 A 497 LEU L H H X TS+ 0 0 -69.2 -38.9 178.8 54.3 109.6 27.2 49 -2.8 57 -2.4 0 0.0 0 0.0 10 40
54 A 498 LYS K H H < TS+ 0 0 -58.9 -42.6 -178.3 41.2 115.2 22.9 50 -2.4 0 0.0 0 0.0 0 0.0 7 26
55 A 499 ARG R H H < TS+ 0 0 -71.4 -48.0 -178.7 46.4 116.5 19.0 51 -2.0 0 0.0 0 0.0 0 0.0 6 24
56 A 500 A LEU L H H < TS- 0 0 -62.4 -35.2 -176.0 -162.6 85.2 34.2 52 -2.8 0 0.0 0 0.0 0 0.0 7 32
57 A 501 ASN N h < T - 0 0 47.8 57.1 -177.8 -163.7 15.5 23.4 53 -2.4 0 0.0 0 0.0 0 0.0 6 28
58 A 502 PRO P - 0 0 -68.3 157.4 175.9 -84.9 28.7 105.1 0 0.0 0 0.0 0 0.0 0 0.0 8 36
59 A 503 GLU E E E AA - 70 0 -59.1 137.6 173.5 -127.8 41.7 107.5 70 -1.2 70 -2.2 0 0.0 0 0.0 7 30
60 A 504 ARG R E E AA - 69 0 -85.5 133.4 174.7 -174.6 27.4 138.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
61 A 505 LYS K E E AA - 68 0 -130.9 129.8 -178.9 -135.4 20.3 171.8 68 -3.0 68 -2.6 0 0.0 63 -0.6 9 26
62 A 506 MET M E E AA + 67 0 -88.5 119.1 176.1 164.6 32.5 136.2 0 0.0 0 0.0 0 0.0 0 0.0 8 20
63 A 507 ILE I E E AA > TS- 66 0 -132.4 130.6 -176.7 -4.4 71.8 176.0 66 -2.2 66 -1.2 61 -0.6 0 0.0 7 19
64 A 508 ASN N T T 3 TS- 0 0 54.4 34.7 178.3 -63.1 127.5 34.3 0 0.0 0 0.0 0 0.0 0 0.0 4 13
65 A 509 ASP D T T 3 TS+ 0 0 60.9 33.3 178.3 110.0 117.0 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 12
66 A 510 LYS K E E AA < TS- 63 0 -139.6 133.0 178.5 -111.2 75.1 175.7 63 -1.2 63 -2.2 0 0.0 0 0.0 7 17
67 A 511 A MET M E E AA - 62 0 -66.0 124.5 168.7 -178.0 36.8 121.1 0 0.0 0 0.0 0 0.0 0 0.0 9 24
68 A 512 HIS H E E AA - 61 0 -111.5 153.3 173.3 -129.1 21.8 146.3 61 -2.6 61 -3.0 0 0.0 0 0.0 12 35
69 A 513 PHE F E E AAA - 60 24 -100.8 144.1 -177.7 -175.2 28.8 149.4 24 -3.0 24 -2.2 0 0.0 0 0.0 12 42
70 A 514 SER S E E AA + 59 0 -147.0 136.6 168.0 179.6 35.2 171.7 59 -2.2 59 -1.2 0 0.0 0 0.0 14 37
71 A 515 LEU L S S S+ 0 0 -109.5 16.2 176.4 88.7 73.2 82.4 19 -2.6 0 0.0 0 0.0 0 0.0 12 33
72 A 516 LYS K 0 0 -115.6 123.3 173.2 999.9 999.9 165.4 0 0.0 0 0.0 0 0.0 0 0.0 8 24
73 A 517 GLU E 0 0 55.3 999.9 999.9 999.9 999.9 27.8 0 0.0 0 0.0 0 0.0 0 0.0 3 18
1i27A.pdb
1I27 TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG SS HHHHHHHHHHS B HHHHHHTS HHHH HHHHHHHHHHHHHHH EEEEETTEEEEES Kabs/Sand
chirality --++--+-+-+++++++++-----+++++++--+++-+--++++++++++++++------+--+----++ chirality
bends SS SS SSSSSSSSSSS SSSSSSSS SSSS SSSSSSSSSSSSSSS SSSS S bends
turns TTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33< >>3<<>33< >33< 3-turns
bridge-2 A bridge-2
bridge-1 A AAAAA AAAAA bridge-1
sheets AAAAA AAAAA sheets
4-turns >>>>XXXX<<<< >>>><<<< >>44<< >>>>XXXXXXXXX<<<< 4-turns
summary gGGGg SS hHHHHHHHHHHh BhHHHHHHhthHHHHh hHHHHHHHHHHHHHHHh EEEEETTEEEEES summary
sequence GPLGSGDVQVTEDAVRRYLTRKPMTTKDLLKKFQTKKTGLSSEQTVNVLAQILKRLNPERKMINDKMHFSLKE sequence
10 20 30 40 50 60 70