Secondary structure calculation program - copyright by David Keith Smith, 1989
1tvs-.pdb
1TVS TRANSCRIPTION REGULATION TRANSACTIVATOR PROTEIN (TAT) (TAT EIAVY) (NMR, 8 S EQUINE INFECTIOUS ANEMIA VIRUS RECOMBINANT FORM
Sequence length - 75
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 1 LEU L 0 0 999.9 107.6 -178.0 999.9 999.9 999.9 0 0.0 3 -0.8 0 0.0 0 0.0 2 5
2 2 GLU E + 0 0 -101.9 100.6 -179.8 149.0 999.9 145.1 0 0.0 0 0.0 0 0.0 0 0.0 3 6
3 3 ASP D + 0 0 -128.1 61.1 -180.0 159.6 4.2 118.6 1 -0.8 5 -2.1 0 0.0 0 0.0 4 9
4 4 ARG R + 0 0 -81.8 62.1 -179.2 116.7 35.8 111.8 0 0.0 0 0.0 0 0.0 0 0.0 5 13
5 5 ARG R + 0 0 -113.4 14.1 -178.5 160.5 33.9 80.2 3 -2.1 0 0.0 0 0.0 0 0.0 6 13
6 6 ILE I t > >T - 0 0 -45.0 111.9 -179.8 -134.1 36.7 100.4 0 0.0 10 -2.6 0 0.0 11 -0.9 7 14
7 7 PRO P T T 4 5TS+ 0 0 -72.9 141.4 -178.6 25.3 84.2 114.8 0 0.0 0 0.0 0 0.0 0 0.0 7 12
8 8 GLY G T T 4 5TS+ 0 0 79.2 16.2 -179.7 26.0 137.2 48.4 0 0.0 0 0.0 0 0.0 0 0.0 6 15
9 9 THR T T h > 5TS+ 0 0 -171.4 -44.6 -179.9 57.1 110.2 76.3 0 0.0 13 -2.5 0 0.0 0 0.0 7 16
10 10 ALA A H H X 5TS+ 0 0 -71.7 -50.1 175.4 37.5 117.2 11.9 6 -2.6 14 -0.9 0 0.0 0 0.0 10 15
11 11 GLU E H H 4 > 3 TS+ 0 0 -64.8 -41.6 -179.8 66.5 97.9 25.6 0 0.0 16 -1.3 0 0.0 0 0.0 9 16
13 13 ASN N H H < 3 TS+ 0 0 -51.1 -32.5 179.3 98.6 73.7 38.5 9 -2.5 15 -1.2 0 0.0 0 0.0 7 15
14 14 LEU L T h < < TS- 0 0 -63.6 93.4 -178.0 -31.7 122.2 116.8 10 -0.9 0 0.0 11 -0.6 0 0.0 6 16
15 15 GLN Q T T 4 TS- 0 0 81.0 -31.4 -179.3 -136.6 80.4 91.1 13 -1.2 0 0.0 0 0.0 0 0.0 5 14
16 16 LYS K t < T + 0 0 46.8 43.3 179.3 154.4 49.8 29.3 12 -1.3 0 0.0 0 0.0 0 0.0 6 16
17 17 SER S - 0 0 -89.7 -178.1 179.9 -103.2 59.1 104.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
18 18 SER S - 0 0 -100.4 42.9 -180.0 -98.1 63.8 101.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
19 19 GLY G - 0 0 80.3 -141.6 -179.9 -161.2 41.8 124.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
20 20 GLY G + 0 0 163.5 -99.4 -179.8 20.1 57.1 129.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
21 21 VAL V - 0 0 -107.7 127.5 -179.9 -165.1 48.8 154.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
22 22 PRO P - 0 0 -77.3 -32.2 -179.3 -135.8 29.4 37.5 0 0.0 0 0.0 0 0.0 0 0.0 4 24
23 23 GLY G + 0 0 75.6 46.5 -179.9 141.3 54.5 22.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
24 24 GLN Q + 0 0 -113.4 48.3 -179.6 58.5 58.2 108.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
25 25 ASN N - 0 0 -137.9 -45.1 -179.3 -177.8 58.4 55.8 0 0.0 27 -2.8 0 0.0 0 0.0 7 20
26 26 THR T - 0 0 68.0 -50.6 -176.7 -95.8 60.1 100.7 0 0.0 0 0.0 0 0.0 0 0.0 9 12
27 27 GLY G S S S- 0 0 129.4 -31.4 178.8 -49.0 80.7 98.1 25 -2.8 0 0.0 0 0.0 0 0.0 7 13
28 28 GLY G S S S+ 0 0 154.8 178.1 -178.0 61.4 109.6 154.8 0 0.0 30 -2.8 0 0.0 0 0.0 8 15
29 29 GLN Q S S S+ 0 0 71.9 -63.3 178.5 44.4 116.0 110.9 0 0.0 0 0.0 0 0.0 0 0.0 6 11
30 30 GLU E S S S- 0 0 -74.4 -46.3 179.9 -16.4 137.8 22.0 28 -2.8 0 0.0 0 0.0 0 0.0 6 11
31 31 ALA A S S S+ 0 0 -131.3 -140.4 -179.5 100.5 87.4 104.3 0 0.0 0 0.0 0 0.0 0 0.0 9 18
32 32 ARG R - 0 0 50.7 58.2 -179.9 -172.0 57.1 19.1 0 0.0 0 0.0 0 0.0 0 0.0 9 23
33 33 PRO P + 0 0 -81.1 145.7 178.5 150.4 22.4 122.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
34 34 ASN N + 0 0 -175.2 89.7 -177.6 125.7 17.5 116.7 0 0.0 0 0.0 0 0.0 0 0.0 8 19
35 35 TYR Y S S S+ 0 0 -116.1 -65.5 180.0 26.6 82.1 44.4 0 0.0 0 0.0 0 0.0 0 0.0 6 14
36 36 HIS H S S S- 0 0 -87.0 11.0 179.3 -110.3 106.5 73.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
37 37 CYS C S h > TS+ 0 0 76.2 -9.2 175.6 100.9 101.1 74.5 0 0.0 41 -1.9 0 0.0 0 0.0 7 13
38 38 GLN Q H H > TS+ 0 0 -70.7 -38.9 175.5 50.4 83.2 21.0 0 0.0 42 -3.0 0 0.0 0 0.0 8 17
39 39 LEU L H H > TS+ 0 0 -64.6 -31.7 175.0 53.1 108.0 26.4 0 0.0 43 -1.8 0 0.0 0 0.0 10 22
40 40 CYS C H H > TS+ 0 0 -70.1 -30.9 174.7 51.8 107.0 28.6 0 0.0 44 -1.1 0 0.0 0 0.0 8 21
41 41 PHE F H H < > TS+ 0 0 -67.1 -47.2 176.4 49.5 108.5 13.2 37 -1.9 44 -1.3 0 0.0 0 0.0 8 21
42 42 LEU L H H < 3 TS+ 0 0 -58.9 -30.5 177.0 61.0 104.1 31.0 38 -3.0 0 0.0 0 0.0 0 0.0 9 26
43 43 ARG R H H < 3 TS+ 0 0 -65.4 -29.7 179.9 10.3 127.9 32.8 39 -1.8 0 0.0 0 0.0 0 0.0 8 27
44 44 SER S h < < T + 0 0 -143.4 44.6 177.3 160.9 68.5 92.9 41 -1.3 46 -2.6 40 -1.1 0 0.0 9 20
45 45 LEU L S t > TS- 0 0 -61.5 72.2 -173.7 -53.7 100.1 110.1 0 0.0 49 -1.5 0 0.0 0 0.0 9 19
46 46 GLY G T T 4 TS- 0 0 59.6 12.4 -178.0 -99.9 85.5 45.1 44 -2.6 48 -1.4 0 0.0 0 0.0 5 15
47 47 ILE I T h > > TS+ 0 0 57.4 -19.0 172.9 90.8 117.1 85.7 0 0.0 51 -1.4 0 0.0 50 -1.2 8 18
48 48 ASP D H H > 3 TS+ 0 0 -68.4 -26.8 175.3 60.7 81.9 29.4 46 -1.4 52 -1.9 0 0.0 0 0.0 7 22
49 49 TYR Y H H X 3 TS+ 0 0 -69.6 -16.5 178.2 55.1 99.1 41.7 45 -1.5 53 -2.9 0 0.0 0 0.0 10 20
50 50 LEU L H H > < TS+ 0 0 -87.3 -19.9 165.1 53.0 101.6 29.5 47 -1.2 54 -1.3 0 0.0 0 0.0 11 27
51 51 ASP D H H < > TS+ 0 0 -67.3 -36.6 172.1 52.7 108.6 20.6 47 -1.4 54 -0.5 0 0.0 0 0.0 9 28
52 52 ALA A H H < > TS+ 0 0 -58.2 -54.6 178.3 54.3 103.1 15.0 48 -1.9 55 -2.0 0 0.0 0 0.0 7 24
53 53 SER S H H < 3 TS+ 0 0 -52.1 -25.5 180.0 27.9 124.4 37.2 49 -2.9 0 0.0 0 0.0 0 0.0 6 28
54 54 LEU L T h X X TS+ 0 0 -122.9 24.2 -179.2 128.9 76.0 85.4 50 -1.3 57 -2.1 51 -0.5 58 -0.9 8 31
55 55 ARG R H H > < T + 0 0 -57.1 -12.5 176.4 86.6 57.4 44.9 52 -2.0 59 -1.7 0 0.0 0 0.0 8 29
56 56 LYS K H H 4 3 TS+ 0 0 -54.1 -31.9 177.6 35.6 99.5 30.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
57 57 LYS K H H > < TS+ 0 0 -89.7 -34.2 179.4 63.3 109.5 35.8 54 -2.1 61 -0.7 0 0.0 0 0.0 9 32
58 58 ASN N H H X TS+ 0 0 -66.3 -16.7 175.5 92.4 75.2 43.0 54 -0.9 60 -3.1 0 0.0 62 -0.8 9 30
59 59 LYS K H H < TS+ 0 0 -75.0 68.2 -175.6 17.6 109.5 113.2 55 -1.7 0 0.0 0 0.0 0 0.0 7 23
60 60 GLN Q H H > > TS+ 0 0 154.0 -31.2 179.4 101.2 99.7 96.5 58 -3.1 63 -2.1 0 0.0 64 -1.5 7 24
61 61 ARG R H H X 3 T + 0 0 -47.9 -30.1 178.9 80.8 63.7 39.7 57 -0.7 65 -3.5 0 0.0 0 0.0 9 27
62 62 LEU L H H < 3 TS+ 0 0 -47.9 -37.7 177.3 25.0 109.5 28.8 58 -0.8 0 0.0 0 0.0 0 0.0 8 21
63 63 LYS K H H 4 < TS+ 0 0 -97.1 -29.8 179.5 58.3 120.6 40.7 60 -2.1 0 0.0 0 0.0 0 0.0 7 17
64 64 ALA A H H < > TS+ 0 0 -71.5 -27.1 177.6 66.6 94.0 35.3 60 -1.5 67 -1.4 0 0.0 0 0.0 11 25
65 65 ILE I T h < 3 TS+ 0 0 -61.7 -32.0 176.9 34.8 112.0 28.9 61 -3.5 0 0.0 0 0.0 0 0.0 8 22
66 66 GLN Q T T 3 TS+ 0 0 -102.8 11.8 179.2 103.5 103.6 75.3 0 0.0 0 0.0 0 0.0 0 0.0 7 15
67 67 GLN Q S t < TS- 0 0 -77.2 -168.0 178.1 -82.7 98.3 90.5 64 -1.4 0 0.0 0 0.0 0 0.0 6 18
68 68 GLY G - 0 0 -73.4 -11.6 -179.5 -127.9 58.5 50.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
69 69 ARG R - 0 0 60.8 71.4 -179.9 -161.3 32.4 2.0 0 0.0 0 0.0 0 0.0 0 0.0 10 21
70 70 GLN Q - 0 0 -73.1 -178.7 -177.2 -46.0 48.1 92.7 0 0.0 72 -2.8 0 0.0 0 0.0 7 18
71 71 PRO P S S S- 0 0 -58.9 72.7 177.1 -78.1 93.3 103.4 0 0.0 73 -1.0 0 0.0 0 0.0 6 15
72 72 GLN Q S S S+ 0 0 54.5 -12.9 176.5 88.1 124.2 80.2 70 -2.8 0 0.0 0 0.0 0 0.0 7 22
73 73 TYR Y S S S+ 0 0 -75.2 -35.2 177.7 47.5 90.7 29.7 71 -1.0 0 0.0 0 0.0 0 0.0 10 27
74 74 LEU L 0 0 -71.1 -37.5 179.8 999.9 999.9 29.1 0 0.0 0 0.0 0 0.0 0 0.0 10 29
75 75 LEU L 0 0 80.1 999.9 999.9 999.9 999.9 113.1 0 0.0 0 0.0 0 0.0 0 0.0 10 30
1tvs-.pdb
1TVS TRANSCRIPTION REGULATION TRANSACTIVATOR PROTEIN (TAT) (TAT EIAVY) (NMR, 8 S EQUINE INFECTIOUS ANEMIA VIRUS RECOMBINANT FORM
author author
Kabs/Sand TTTHHHHTT SSSSS SSSHHHHHH STTHHHHHHTHHHHHHHHHHTTS SSS Kabs/Sand
chirality ++++-+++++++--+---+--++---++-+-+++-++++++++--++++++++++++++++++++-----++ chirality
bends SSSSSSSSS SSSSS SSSSSSSSS SSSSSSSSSS SSSSS SSSSSS SSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33<>>3X<3< >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >44>X4><<4< >>>><<<<>4>>X><<4>X<>X<4<< 4-turns
summary tTThHHHHhTt SSSSS SShHHHHHHhtThHHHHHHhHHHHHHHHHHhTt SSS summary
sequence LEDRRIPGTAEENLQKSSGGVPGQNTGGQEARPNYHCQLCFLRSLGIDYLDASLRKKNKQRLKAIQQGRQPQYLL sequence
10 20 30 40 50 60 70