Secondary structure calculation program - copyright by David Keith Smith, 1989
1idaA.pdb
1IDA HYDROLASE(ACID PROTEINASE) HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 (HIV-2) PROTEA HIV-2 (ROD ISOLATE)
Sequence length - 99
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 1 PRO P 0 0 999.9 157.5 176.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 20
2 A 2 GLN Q - 0 0 -131.1 142.3 179.8 -156.5 999.9 170.2 0 0.0 4 -0.5 0 0.0 0 0.0 3 21
3 A 3 PHE F - 0 0 -123.9 119.7 175.5 -152.6 5.9 167.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
4 A 4 SER S - 0 0 -78.4 153.1 -173.0 -128.9 24.2 118.1 2 -0.5 0 0.0 0 0.0 0 0.0 6 19
5 A 5 LEU L S S S+ 0 0 -99.0 22.1 176.2 104.7 81.3 67.2 0 0.0 0 0.0 0 0.0 0 0.0 6 19
6 A 6 TRP W S S S+ 0 0 -58.1 -46.5 173.6 28.6 91.8 26.4 0 0.0 0 0.0 0 0.0 0 0.0 4 10
7 A 7 LYS K S S S- 0 0 -106.0 163.2 175.9 -81.3 110.8 141.4 0 0.0 0 0.0 0 0.0 0 0.0 5 13
8 A 8 ARG R - 0 0 -65.1 134.8 -179.6 -116.7 44.7 113.6 0 0.0 10 -1.8 0 0.0 0 0.0 6 22
9 A 9 PRO P e + 0 0 -73.9 80.1 -174.4 162.9 54.9 122.8 0 0.0 24 -2.5 0 0.0 0 0.0 9 33
10 A 10 VAL V E E AA + 23 0 -109.7 133.1 178.1 169.6 9.0 153.7 8 -1.8 0 0.0 0 0.0 0 0.0 8 33
11 A 11 VAL V E E AA - 22 0 -134.4 169.7 177.4 -101.0 36.6 160.2 22 -2.7 22 -3.3 0 0.0 0 0.0 10 37
12 A 12 THR T E E AA + 21 0 -93.0 132.8 175.5 179.3 40.2 138.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
13 A 13 ALA A E E AA - 20 0 -129.0 149.4 172.5 -136.1 24.8 161.4 20 -2.6 20 -2.3 0 0.0 15 -0.6 13 43
14 A 14 TYR Y E E AAB - 19 65 -105.8 121.8 176.4 -164.2 16.2 163.7 65 -2.8 65 -2.8 0 0.0 16 -0.6 11 38
15 A 15 ILE I E E AAB> TS- 18 64 -106.3 107.5 -176.1 -22.0 81.2 161.5 18 -2.4 18 -1.8 13 -0.6 0 0.0 11 45
16 A 16 GLU E T e 3 TS- 0 0 53.0 47.4 -179.9 -48.1 133.3 17.5 63 -2.8 0 0.0 14 -0.6 0 0.0 8 33
17 A 17 GLY G T T 3 TS+ 0 0 78.1 -3.1 -177.5 119.1 114.5 63.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
18 A 18 GLN Q E E AA < T - 15 0 -102.6 130.6 -179.7 -125.4 61.9 151.2 15 -1.8 15 -2.4 0 0.0 0 0.0 8 27
19 A 19 PRO P E E AA + 14 0 -73.6 134.8 178.2 162.8 37.2 112.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
20 A 20 VAL V E E AA - 13 0 -144.0 150.6 175.6 -120.0 38.8 172.1 13 -2.3 13 -2.6 0 0.0 0 0.0 9 38
21 A 21 GLU E E E AA - 12 0 -93.0 127.4 -178.4 -171.5 38.8 144.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
22 A 22 VAL V E E AA - 11 0 -126.9 148.7 178.8 -134.1 22.3 164.7 11 -3.3 11 -2.7 0 0.0 0 0.0 12 45
23 A 23 LEU L E E AAc - 10 84 -96.0 129.3 176.8 -129.4 23.4 149.5 83 -2.5 85 -2.7 0 0.0 25 -0.8 12 44
24 A 24 LEU L E E A c - 0 85 -83.3 107.0 -167.3 -169.3 33.7 138.1 9 -2.5 26 -0.7 0 0.0 0 0.0 11 47
25 A 25 ASP D e > T + 0 0 -115.5 99.0 177.8 176.5 28.9 148.1 85 -2.7 28 -1.2 23 -0.8 0 0.0 10 43
26 A 26 THR T T T 3 TS+ 0 0 -69.5 -16.9 -177.2 59.1 87.3 50.0 24 -0.7 0 0.0 0 0.0 0 0.0 9 32
27 A 27 GLY G T T 3 TS+ 0 0 -89.2 -10.5 -176.6 85.5 89.1 54.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
28 A 28 ALA A t < T - 0 0 -97.1 129.8 179.6 -166.2 54.9 144.8 25 -1.2 87 -3.1 0 0.0 0 0.0 10 33
29 A 29 ASP D S S S+ 0 0 -79.4 -29.5 179.7 36.5 78.4 29.0 0 0.0 88 -0.7 0 0.0 0 0.0 8 31
30 A 30 ASP D S S S- 0 0 -117.5 170.0 -177.4 -119.0 80.2 126.2 0 0.0 0 0.0 0 0.0 0 0.0 10 47
31 A 31 SER S e - 0 0 -116.6 133.2 -177.3 -177.7 28.6 157.1 0 0.0 76 -2.2 0 0.0 0 0.0 14 61
32 A 32 ILE I E E AdA - 76 84 -141.0 129.9 -176.5 -178.9 3.4 169.5 84 -1.9 84 -3.0 0 0.0 0 0.0 12 58
33 A 33 VAL V E E Ad - 77 0 -128.0 149.1 -179.8 -147.8 12.3 152.5 76 -2.7 78 -1.5 0 0.0 0 0.0 14 56
34 A 34 ALA A + 0 0 -118.2 143.3 172.3 21.0 69.0 159.7 0 0.0 0 0.0 0 0.0 0 0.0 11 38
35 A 35 GLY G S S S+ 0 0 72.6 41.8 167.6 105.1 85.1 26.5 0 0.0 0 0.0 0 0.0 0 0.0 5 32
36 A 36 ILE I - 0 0 -139.2 138.2 179.9 -139.2 61.7 163.4 0 0.0 38 -0.6 0 0.0 0 0.0 7 38
37 A 37 GLU E + 0 0 -101.4 124.6 -176.3 178.6 20.7 155.6 0 0.0 0 0.0 0 0.0 0 0.0 4 31
38 A 38 LEU L - 0 0 -109.7 5.7 177.6 -117.3 41.7 72.4 36 -0.6 0 0.0 0 0.0 0 0.0 6 36
39 A 39 GLY G - 0 0 101.4 -161.8 -173.5 -47.5 41.2 124.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
40 A 40 ASN N S S S+ 0 0 -99.1 -18.1 175.5 90.4 97.2 54.6 0 0.0 42 -1.7 0 0.0 0 0.0 4 18
41 A 41 ASN N + 0 0 -85.1 84.5 176.2 112.8 65.4 127.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
42 A 42 TYR Y - 0 0 -138.7 165.8 171.2 -141.9 54.7 155.5 40 -1.7 0 0.0 0 0.0 0 0.0 9 26
43 A 43 SER S E E AE - 58 0 -131.5 138.7 -176.6 -108.7 31.1 171.9 58 -1.2 58 -3.0 0 0.0 0 0.0 7 25
44 A 44 PRO P E E AE - 57 0 -72.3 139.7 178.8 -176.2 37.7 120.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
45 A 45 LYS K E E AE - 56 0 -132.4 151.3 175.4 -138.8 22.9 151.8 56 -2.4 56 -4.1 0 0.0 0 0.0 8 29
46 A 46 ILE I E E AE - 55 0 -111.2 123.0 -179.6 -168.9 27.0 162.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
47 A 47 VAL V E E AE - 54 0 -121.3 137.6 -177.9 -138.5 11.6 169.5 54 -2.6 54 -3.3 0 0.0 0 0.0 8 32
48 A 48 GLY G E E AE + 53 0 -100.6 131.0 177.7 174.7 22.0 146.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
49 A 49 GLY G e - 0 0 -115.8 -171.3 179.8 -78.8 53.0 120.2 52 -3.8 0 0.0 0 0.0 0 0.0 7 27
50 A 50 ILE I S S S+ 0 0 -62.9 -28.0 -176.3 33.9 128.9 35.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
51 A 51 GLY G S S S- 0 0 -106.1 -11.1 -179.5 -57.3 126.2 55.2 0 0.0 0 0.0 0 0.0 0 0.0 5 12
52 A 52 GLY G e - 0 0 167.2 -160.3 179.2 -55.6 64.5 169.9 0 0.0 49 -3.8 0 0.0 0 0.0 6 15
53 A 53 PHE F E E AE - 48 0 -114.3 151.3 175.2 -164.6 37.5 148.7 0 0.0 0 0.0 0 0.0 0 0.0 8 21
54 A 54 ILE I E E AE - 47 0 -130.8 160.8 177.9 -116.2 22.7 150.8 47 -3.3 47 -2.6 0 0.0 0 0.0 10 27
55 A 55 ASN N E E AE + 46 0 -93.4 138.1 -179.9 177.1 40.8 144.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
56 A 56 THR T E E AE - 45 0 -135.9 167.9 171.2 -125.4 32.3 153.0 45 -4.1 45 -2.4 0 0.0 58 -0.6 12 38
57 A 57 LYS K E E AEF - 44 77 -112.5 120.3 179.9 -148.6 28.3 164.6 77 -2.2 77 -2.2 0 0.0 59 -0.6 11 36
58 A 58 GLU E E E AEF - 43 76 -93.8 125.9 176.7 -172.6 13.6 140.2 43 -3.0 43 -1.2 56 -0.6 0 0.0 12 42
59 A 59 TYR Y E E A F - 0 75 -112.1 135.5 -178.7 -152.3 9.3 160.2 75 -3.1 75 -2.3 57 -0.6 0 0.0 13 40
60 A 60 LYS K E E A * + 0 0 -106.3 158.8 174.7 18.9 69.1 136.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
61 A 61 ASN N E E A * S+ 0 0 56.4 40.7 177.9 172.5 75.8 38.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
62 A 62 VAL V E E A F - 0 73 -81.3 135.6 177.4 -120.9 34.5 126.5 73 -2.3 73 -1.9 0 0.0 64 -0.5 11 42
63 A 63 GLU E E E A F - 0 72 -82.1 122.6 -178.4 -177.0 36.1 130.2 0 0.0 16 -2.8 0 0.0 0 0.0 10 37
64 A 64 ILE I E E ABF - 15 71 -121.0 133.3 173.5 -166.9 16.0 164.3 71 -3.1 71 -2.3 62 -0.5 66 -0.5 13 45
65 A 65 GLU E E E ABF + 14 70 -121.3 120.4 -178.6 147.9 26.9 165.6 14 -2.8 14 -2.8 0 0.0 0 0.0 12 33
66 A 66 VAL V E E A F> T + 0 69 -151.6 144.9 -179.9 3.8 60.3 175.9 69 -2.2 69 -2.7 64 -0.5 0 0.0 10 43
67 A 67 LEU L T T 3 TS- 0 0 45.7 45.4 178.3 -56.7 130.1 27.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
68 A 68 ASN N T T 3 TS+ 0 0 63.0 16.6 175.9 111.7 117.4 47.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
69 A 69 LYS K E E A F< T - 0 66 -118.7 157.7 178.8 -145.5 56.7 151.3 66 -2.7 66 -2.2 0 0.0 0 0.0 7 27
70 A 70 LYS K E E A F + 0 65 -122.6 127.4 -179.2 160.5 28.1 170.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
71 A 71 VAL V E E A F - 0 64 -140.0 164.3 173.6 -135.1 33.0 158.2 64 -2.3 64 -3.1 0 0.0 0 0.0 10 33
72 A 72 ARG R E E A F + 0 63 -122.7 128.3 -174.8 147.4 42.5 172.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
73 A 73 ALA A E E A F - 0 62 -152.7 171.2 175.8 -82.8 49.3 164.1 62 -1.9 62 -2.3 0 0.0 0 0.0 11 40
74 A 74 THR T E E A * - 0 0 -84.3 134.5 -179.7 -177.1 42.9 132.8 0 0.0 0 0.0 0 0.0 0 0.0 11 45
75 A 75 ILE I E E A F - 0 59 -133.0 137.8 176.2 -152.4 12.5 167.8 59 -2.3 59 -3.1 0 0.0 0 0.0 12 62
76 A 76 MET M E E AdF - 32 58 -106.5 156.3 177.5 -148.7 7.9 145.3 31 -2.2 33 -2.7 0 0.0 0 0.0 12 55
77 A 77 THR T E E AdF + 33 57 -124.4 137.1 -176.1 107.9 40.2 157.7 57 -2.2 57 -2.2 0 0.0 0 0.0 13 47
78 A 78 GLY G S e S- 0 0 177.5 -173.8 -178.7 -45.4 72.0 170.3 33 -1.5 80 -1.4 0 0.0 0 0.0 11 37
79 A 79 ASP D + 0 0 -90.3 98.0 178.0 152.9 64.4 132.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
80 A 80 THR T - 0 0 -119.3 132.5 -179.0 -142.5 44.5 162.9 78 -1.4 0 0.0 0 0.0 0 0.0 8 38
81 A 81 PRO P S S S+ 0 0 -63.7 -26.9 -175.5 27.2 92.4 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
82 A 82 ILE I S S S- 0 0 -136.8 138.2 -179.9 -113.9 88.2 175.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
83 A 83 ASN N e - 0 0 -73.2 130.6 -178.3 -158.4 39.6 127.1 0 0.0 23 -2.5 0 0.0 0 0.0 12 47
84 A 84 ILE I E E AcA - 23 32 -123.2 135.2 170.3 -164.6 23.3 156.7 32 -3.0 32 -1.9 0 0.0 86 -0.6 12 51
85 A 85 PHE F E E Ac - 24 0 -100.7 110.5 -179.2 -173.6 28.1 158.2 23 -2.7 25 -2.7 0 0.0 0 0.0 15 58
86 A 86 GLY G h > > T - 0 0 -95.4 -162.6 -173.0 -66.1 42.8 93.6 84 -0.6 90 -2.5 0 0.0 89 -0.8 14 46
87 A 87 ARG R H H > 3 TS+ 0 0 -60.7 -26.8 179.9 66.9 121.7 39.5 28 -3.1 91 -2.6 0 0.0 0 0.0 13 32
88 A 88 ASN N H H > 3 TS+ 0 0 -61.9 -42.6 178.4 29.8 114.5 20.5 29 -0.7 92 -1.2 0 0.0 0 0.0 12 39
89 A 89 ILE I H H > < TS+ 0 0 -80.1 -45.9 -180.0 57.0 116.9 22.1 86 -0.8 93 -2.1 0 0.0 0 0.0 11 49
90 A 90 LEU L H H X >TS+ 0 0 -52.8 -42.4 178.1 51.1 108.4 29.7 86 -2.5 95 -2.3 0 0.0 94 -0.7 14 45
91 A 91 THR T H H < >5TS+ 0 0 -61.7 -47.3 178.8 47.2 109.4 17.3 87 -2.6 94 -1.0 0 0.0 0 0.0 9 31
92 A 92 ALA A H H < 35TS+ 0 0 -65.5 -29.7 177.1 52.6 111.4 34.1 88 -1.2 0 0.0 0 0.0 0 0.0 8 32
93 A 93 LEU L H H < 35TS- 0 0 -74.4 -24.9 -176.3 -122.8 112.9 50.7 89 -2.1 0 0.0 0 0.0 0 0.0 8 33
94 A 94 GLY G T h < <5T + 0 0 82.8 30.6 175.6 159.1 53.2 39.1 91 -1.0 0 0.0 90 -0.7 0 0.0 6 27
95 A 95 MET M t 5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 BB cc A FFF**FFFFF FFFFF*FFF A bridge-2
bridge-1 AAAAAA AAAAAA dd EEEEEE EEEEEE BB dd cc bridge-1
sheets AAAAAA AAAAAAA AA AAAAAA AAAAAAAAAAAAAA AAAAAAAAA AA sheets
4-turns >>>>X<<<< 4-turns
summary SSS eEEEEEEeTEEEEEEEeTTtSSeEE S S EEEEEEeSSeEEEEEEEEEEEEEETTEEEEEEEEEe SSeEEhHHHHHHHht summary
sequence PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL sequence
10 20 30 40 50 60 70 80 90