Secondary structure calculation program - copyright by David Keith Smith, 1989
1kdxA.pdb
1KDX TRANSCRIPTION REGULATION COMPLEX MOL_ID: 1; MOL_ID: 1;
Sequence length - 81
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 586 GLY G t > T 0 0 999.9 175.8 -179.3 999.9 999.9 999.9 0 0.0 5 -2.7 0 0.0 0 0.0 4 14
2 A 587 VAL V T T 4 T - 0 0 44.6 -145.5 177.4 -9.1 999.9 89.8 0 0.0 4 -2.3 0 0.0 0 0.0 5 18
3 A 588 ARG R T T > TS- 0 0 -79.0 72.0 178.7 -59.3 128.2 119.5 0 0.0 7 -0.8 0 0.0 0 0.0 8 26
4 A 589 LYS K T T 4 TS- 0 0 53.7 40.2 176.0 -85.0 82.5 37.4 2 -2.3 6 -2.7 0 0.0 0 0.0 8 22
5 A 590 GLY G T g < > TS+ 0 0 69.8 -55.2 -176.3 89.0 119.8 104.8 1 -2.7 8 -1.6 0 0.0 0 0.0 7 20
6 A 591 TRP W G G 4 > T + 0 0 -49.0 -21.4 177.8 94.5 61.1 49.3 4 -2.7 9 -2.5 0 0.0 0 0.0 10 26
7 A 592 HIS H G G < > TS+ 0 0 -37.4 -48.5 -175.7 66.0 71.6 37.6 3 -0.8 10 -2.5 0 0.0 0 0.0 9 29
8 A 593 GLU E G G < TS+ 0 0 -54.3 -27.3 -179.6 55.7 96.7 41.1 5 -1.6 0 0.0 0 0.0 0 0.0 6 22
9 A 594 HIS H G G < TS+ 0 0 -86.4 -1.1 179.5 61.4 102.2 64.2 6 -2.5 0 0.0 0 0.0 0 0.0 6 26
10 A 595 VAL V S g < TS- 0 0 -131.5 92.6 179.4 -174.4 71.2 145.4 7 -2.5 0 0.0 0 0.0 0 0.0 10 31
11 A 596 THR T h > T - 0 0 -79.4 164.1 179.8 -97.8 43.7 109.2 0 0.0 15 -2.6 0 0.0 0 0.0 8 22
12 A 597 GLN Q H H > TS+ 0 0 -53.5 -34.4 177.8 60.2 123.9 34.1 0 0.0 16 -3.2 0 0.0 0 0.0 6 21
13 A 598 ASP D H H > TS+ 0 0 -58.2 -50.5 179.8 42.6 108.6 16.7 0 0.0 17 -2.7 0 0.0 0 0.0 7 17
14 A 599 LEU L H H > TS+ 0 0 -63.0 -45.3 176.6 51.6 114.3 21.4 0 0.0 18 -3.0 0 0.0 0 0.0 8 27
15 A 600 ARG R H H X TS+ 0 0 -53.3 -56.5 179.5 47.4 111.2 15.7 11 -2.6 19 -2.9 0 0.0 0 0.0 10 38
16 A 601 SER S H H X TS+ 0 0 -52.1 -48.0 177.9 50.0 112.3 25.2 12 -3.2 20 -2.9 0 0.0 0 0.0 8 30
17 A 602 HIS H H H X TS+ 0 0 -57.4 -50.9 -179.5 48.6 111.0 18.4 13 -2.7 21 -2.9 0 0.0 0 0.0 8 31
18 A 603 LEU L H H X TS+ 0 0 -57.7 -43.7 175.2 50.8 110.7 23.8 14 -3.0 22 -2.9 0 0.0 0 0.0 9 44
19 A 604 VAL V H H X TS+ 0 0 -55.9 -50.5 177.4 48.4 111.8 16.8 15 -2.9 23 -2.9 0 0.0 0 0.0 12 44
20 A 605 HIS H H H X TS+ 0 0 -54.0 -46.8 179.9 51.7 110.2 23.5 16 -2.9 24 -3.3 0 0.0 0 0.0 10 41
21 A 606 LYS K H H X TS+ 0 0 -58.8 -47.1 176.7 47.2 110.9 22.4 17 -2.9 25 -2.8 0 0.0 0 0.0 8 44
22 A 607 LEU L H H X TS+ 0 0 -57.2 -54.8 -179.8 48.2 113.8 14.4 18 -2.9 26 -2.5 0 0.0 0 0.0 11 45
23 A 608 VAL V H H X TS+ 0 0 -50.6 -55.0 179.6 46.3 113.7 21.0 19 -2.9 27 -3.1 0 0.0 0 0.0 13 45
24 A 609 GLN Q H H < TS+ 0 0 -56.4 -44.3 180.0 51.1 112.1 27.9 20 -3.3 0 0.0 0 0.0 0 0.0 9 38
25 A 610 ALA A H H < TS+ 0 0 -63.4 -37.4 178.8 41.1 116.3 30.4 21 -2.8 0 0.0 0 0.0 0 0.0 8 36
26 A 611 ILE I H H < TS+ 0 0 -73.0 -45.2 -174.8 1.7 141.0 27.3 22 -2.5 0 0.0 0 0.0 0 0.0 10 41
27 A 612 PHE F S h < TS- 0 0 -149.0 110.0 -177.3 -125.1 79.6 154.4 23 -3.1 29 -1.1 0 0.0 0 0.0 6 37
28 A 613 PRO P - 0 0 -67.2 97.2 178.7 -133.0 30.1 117.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
29 A 614 THR T - 0 0 -50.5 120.6 179.9 -162.2 15.4 106.9 27 -1.1 0 0.0 0 0.0 0 0.0 9 28
30 A 615 PRO P S S S- 0 0 -74.1 -41.3 -179.6 -10.2 75.2 27.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
31 A 616 ASP D S g > TS- 0 0 -156.8 142.3 179.2 -107.1 74.3 161.5 0 0.0 34 -2.5 0 0.0 0 0.0 5 17
32 A 617 PRO P G G > TS+ 0 0 -42.7 -37.4 178.0 72.9 113.3 38.7 0 0.0 35 -2.1 0 0.0 0 0.0 7 23
33 A 618 ALA A G G > TS+ 0 0 -48.6 -36.1 178.3 69.7 83.3 33.3 0 0.0 36 -2.3 0 0.0 0 0.0 6 19
34 A 619 ALA A G G X TS+ 0 0 -51.4 -36.5 179.6 70.0 83.9 33.1 31 -2.5 37 -2.4 0 0.0 0 0.0 9 22
35 A 620 LEU L G G < TS+ 0 0 -54.7 -25.8 -179.5 66.5 87.4 42.5 32 -2.1 0 0.0 0 0.0 0 0.0 10 30
36 A 621 LYS K G G < TS+ 0 0 -72.8 -16.5 179.1 95.5 80.2 50.2 33 -2.3 0 0.0 0 0.0 0 0.0 8 19
37 A 622 ASP D S h > X TS- 0 0 -78.3 128.6 177.6 -132.3 80.4 132.2 34 -2.4 41 -3.0 0 0.0 40 -1.0 8 19
38 A 623 ARG R H H > 3 TS+ 0 0 -45.7 -41.2 177.4 60.4 108.3 33.2 0 0.0 42 -2.7 0 0.0 0 0.0 7 18
39 A 624 ARG R H H > 3 TS+ 0 0 -52.0 -49.4 -178.8 34.1 114.4 21.8 0 0.0 43 -1.0 0 0.0 0 0.0 6 22
40 A 625 MET M H H > < TS+ 0 0 -73.5 -45.7 178.7 60.7 112.6 24.4 37 -1.0 44 -2.7 0 0.0 0 0.0 10 29
41 A 626 GLU E H H X TS+ 0 0 -49.6 -43.4 176.9 53.7 102.7 29.2 37 -3.0 45 -3.0 0 0.0 0 0.0 10 28
42 A 627 ASN N H H X TS+ 0 0 -60.2 -43.5 178.3 47.2 109.3 23.7 38 -2.7 46 -2.9 0 0.0 0 0.0 8 24
43 A 628 LEU L H H X TS+ 0 0 -64.8 -42.3 177.5 50.9 112.0 23.6 39 -1.0 47 -3.1 0 0.0 0 0.0 10 36
44 A 629 VAL V H H X TS+ 0 0 -58.5 -49.8 177.8 47.1 111.9 19.1 40 -2.7 48 -2.7 0 0.0 0 0.0 12 37
45 A 630 ALA A H H X TS+ 0 0 -56.7 -52.3 178.6 47.9 113.5 18.0 41 -3.0 49 -2.8 0 0.0 0 0.0 8 31
46 A 631 TYR Y H H X TS+ 0 0 -54.8 -48.8 178.7 51.5 111.0 21.9 42 -2.9 50 -3.0 0 0.0 0 0.0 8 34
47 A 632 ALA A H H X TS+ 0 0 -56.2 -46.1 177.1 48.5 110.6 24.2 43 -3.1 51 -3.2 0 0.0 0 0.0 12 44
48 A 633 LYS K H H X TS+ 0 0 -60.5 -48.1 178.4 49.3 111.7 19.6 44 -2.7 52 -3.1 0 0.0 0 0.0 9 36
49 A 634 LYS K H H X TS+ 0 0 -56.0 -49.1 178.3 45.1 114.8 20.1 45 -2.8 53 -3.1 0 0.0 0 0.0 8 29
50 A 635 VAL V H H X TS+ 0 0 -56.9 -57.7 -178.3 48.0 114.2 14.9 46 -3.0 54 -3.1 0 0.0 0 0.0 8 41
51 A 636 GLU E H H X TS+ 0 0 -50.5 -51.4 177.4 45.2 115.6 22.4 47 -3.2 55 -2.8 0 0.0 0 0.0 12 48
52 A 637 GLY G H H X TS+ 0 0 -57.7 -51.0 179.4 50.4 113.0 21.3 48 -3.1 56 -3.0 0 0.0 0 0.0 8 43
53 A 638 ASP D H H < TS+ 0 0 -54.2 -50.7 179.2 46.8 112.3 21.6 49 -3.1 0 0.0 0 0.0 0 0.0 8 32
54 A 639 MET M H H X > TS+ 0 0 -57.5 -50.3 178.0 50.4 112.3 19.4 50 -3.1 58 -3.1 0 0.0 57 -1.9 11 37
55 A 640 TYR Y H H < 3 TS+ 0 0 -52.4 -49.2 -179.1 50.5 110.1 21.5 51 -2.8 0 0.0 0 0.0 0 0.0 9 44
56 A 641 GLU E T h < 3 TS+ 0 0 -79.7 20.9 178.2 37.7 119.3 80.3 52 -3.0 0 0.0 0 0.0 0 0.0 7 30
57 A 642 SER S T T 4 < TS+ 0 0 -132.1 -48.4 -178.2 88.0 93.4 57.1 54 -1.9 0 0.0 0 0.0 0 0.0 7 27
58 A 643 ALA A t < T - 0 0 -64.0 132.7 177.2 -157.3 56.6 112.4 54 -3.1 0 0.0 0 0.0 0 0.0 9 32
59 A 644 ASN N S S S+ 0 0 -92.6 12.9 179.5 28.0 79.3 78.2 0 0.0 0 0.0 0 0.0 0 0.0 8 27
60 A 645 SER S S h > TS- 0 0 -166.1 152.5 174.2 -116.6 78.7 161.1 0 0.0 64 -2.7 0 0.0 0 0.0 8 28
61 A 646 ARG R H H > TS+ 0 0 -60.7 -32.1 179.4 58.6 117.7 34.4 0 0.0 65 -2.9 0 0.0 0 0.0 10 33
62 A 647 ASP D H H > TS+ 0 0 -61.8 -53.1 179.3 42.3 108.3 16.1 0 0.0 66 -2.8 0 0.0 0 0.0 6 27
63 A 648 GLU E H H > TS+ 0 0 -59.1 -48.6 176.4 53.2 113.6 20.4 0 0.0 67 -3.0 0 0.0 0 0.0 9 28
64 A 649 TYR Y H H X TS+ 0 0 -50.9 -51.5 177.2 47.6 110.7 19.9 60 -2.7 68 -2.8 0 0.0 0 0.0 13 41
65 A 650 TYR Y H H X TS+ 0 0 -55.2 -51.6 178.8 50.5 111.4 21.2 61 -2.9 69 -2.8 0 0.0 0 0.0 8 35
66 A 651 HIS H H H X TS+ 0 0 -50.8 -57.2 -177.1 45.6 113.1 18.1 62 -2.8 70 -3.1 0 0.0 0 0.0 8 25
67 A 652 LEU L H H X TS+ 0 0 -58.4 -43.8 179.1 48.5 113.9 27.8 63 -3.0 71 -2.9 0 0.0 0 0.0 9 32
68 A 653 LEU L H H X TS+ 0 0 -63.1 -53.2 -180.0 40.8 116.5 14.6 64 -2.8 72 -2.5 0 0.0 0 0.0 11 44
69 A 654 ALA A H H X TS+ 0 0 -62.5 -38.5 175.2 52.9 115.6 24.7 65 -2.8 73 -2.8 0 0.0 0 0.0 8 34
70 A 655 GLU E H H X TS+ 0 0 -57.8 -49.4 179.0 51.7 107.4 20.1 66 -3.1 74 -3.1 0 0.0 0 0.0 8 30
71 A 656 LYS K H H X TS+ 0 0 -53.3 -52.4 177.5 48.7 110.1 19.0 67 -2.9 75 -3.0 0 0.0 0 0.0 8 41
72 A 657 ILE I H H X TS+ 0 0 -51.6 -52.5 179.4 49.4 112.2 20.9 68 -2.5 76 -1.2 0 0.0 0 0.0 11 35
73 A 658 TYR Y H H X > TS+ 0 0 -52.0 -58.2 -179.2 46.7 112.5 17.1 69 -2.8 77 -2.7 0 0.0 76 -1.2 9 24
74 A 659 LYS K H H X 3>TS+ 0 0 -51.3 -52.2 -176.2 59.1 105.6 23.6 70 -3.1 79 -2.7 0 0.0 78 -1.5 9 23
75 A 660 ILE I H H < 3>TS+ 0 0 -54.4 -27.3 179.2 22.9 123.1 39.8 71 -3.0 80 -0.8 0 0.0 0 0.0 10 26
76 A 661 GLN Q H H < <>TS+ 0 0 -101.1 -61.9 -176.7 34.7 132.0 31.3 72 -1.2 81 -2.8 73 -1.2 0 0.0 10 21
77 A 662 LYS K H H < 5TS+ 0 0 -65.7 -39.5 -178.7 29.9 131.2 30.8 73 -2.7 0 0.0 0 0.0 0 0.0 8 14
78 A 663 GLU E T h < 5TS+ 0 0 -83.4 -55.1 -171.4 39.5 125.8 21.6 74 -1.5 0 0.0 0 0.0 0 0.0 8 14
79 A 664 LEU L T t >>55<<< 5-turns
3-turns >>><<< >>>X<33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >4>4<4< >>>>XXXXXXXXX<<<< >>>>XXXXXXXXXXXX>>>XXXXXXXXXXX<<<< 4-turns
summary tTTTgGGGGghHHHHHHHHHHHHHHHh SgGGGGGhHHHHHHHHHHHHHHHHHHhTtShHHHHHHHHHHHHHHHHHhttt summary
sequence GVRKGWHEHVTQDLRSHLVHKLVQAIFPTPDPAALKDRRMENLVAYAKKVEGDMYESANSRDEYYHLLAEKIYKIQKELEE sequence
10 20 30 40 50 60 70 80