Secondary structure calculation program - copyright by David Keith Smith, 1989
1hqvA.pdb
1HQV APOPTOSIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 178
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 8 PRO P 0 0 999.9 73.3 -179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
2 A 9 GLY G + 0 0 -141.4 -69.7 -179.4 70.0 999.9 60.9 0 0.0 115 -0.8 0 0.0 0 0.0 8 31
3 A 10 PRO P S S S- 0 0 -41.7 -158.4 -179.0 -89.7 82.6 51.2 0 0.0 115 -1.5 0 0.0 0 0.0 9 38
4 A 11 GLY G B B A - 114 0 -134.2 73.7 -179.9 -149.6 38.4 121.0 0 0.0 0 0.0 0 0.0 0 0.0 11 41
5 A 12 GLY G + 0 0 -4.5 -143.6 179.7 0.3 59.0 51.1 113 -1.2 0 0.0 0 0.0 0 0.0 7 32
6 A 13 GLY G S S S- 0 0 -54.9 169.0 -179.8 -97.4 82.4 87.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
7 A 14 PRO P - 0 0 -61.8 -131.3 -179.1 -131.3 42.5 46.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
8 A 15 GLY G - 0 0 -157.2 -145.7 -179.8 -0.1 53.4 130.4 0 0.0 10 -2.0 0 0.0 0 0.0 5 41
9 A 16 PRO P 0 0 -63.8 65.8 179.7 999.9 999.9 112.2 0 0.0 0 0.0 0 0.0 0 0.0 7 44
10!A 17 ALA A 0 0 83.2 999.9 999.9 999.9 999.9 74.6 8 -2.0 0 0.0 0 0.0 0 0.0 5 31
11!A 21 ALA A 0 0 999.9 60.0 -178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 25
12 A 22 LEU L + 0 0 -114.4 -25.9 -179.7 87.3 999.9 48.9 0 0.0 0 0.0 0 0.0 0 0.0 3 18
13 A 23 PRO P S S S- 0 0 -82.1 148.1 179.6 -117.3 74.4 122.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
14 A 24 ASP D h > T - 0 0 -75.5 167.6 -178.5 -100.7 30.2 104.0 0 0.0 18 -1.8 0 0.0 0 0.0 6 18
15 A 25 GLN Q H H > TS+ 0 0 -56.3 -43.5 179.7 58.0 119.1 30.7 0 0.0 19 -2.4 0 0.0 0 0.0 6 22
16 A 26 SER S H H > TS+ 0 0 -54.1 -53.4 179.6 50.2 105.8 15.6 0 0.0 20 -3.2 0 0.0 0 0.0 6 18
17 A 27 PHE F H H > TS+ 0 0 -48.6 -60.0 -179.2 39.8 116.8 17.0 0 0.0 21 -2.3 0 0.0 0 0.0 8 21
18 A 28 LEU L H H X TS+ 0 0 -65.5 -21.0 178.8 56.0 112.9 44.8 14 -1.8 22 -2.5 0 0.0 0 0.0 10 33
19 A 29 TRP W H H X TS+ 0 0 -76.4 -42.3 177.6 47.2 108.9 25.5 15 -2.4 23 -2.7 0 0.0 0 0.0 9 31
20 A 30 ASN N H H X TS+ 0 0 -63.7 -39.9 178.4 49.1 113.2 26.0 16 -3.2 24 -1.4 0 0.0 0 0.0 8 25
21 A 31 VAL V H H X > TS+ 0 0 -62.4 -51.2 179.9 52.0 109.7 11.9 17 -2.3 25 -2.2 0 0.0 24 -1.0 8 38
22 A 32 PHE F H H X 3 TS+ 0 0 -48.2 -50.8 -179.8 54.2 106.2 24.4 18 -2.5 26 -2.6 0 0.0 0 0.0 11 42
23 A 33 GLN Q H H < 3 TS+ 0 0 -55.9 -33.3 -179.6 48.5 109.2 35.2 19 -2.7 0 0.0 0 0.0 0 0.0 9 32
24 A 34 ARG R H H < < TS+ 0 0 -76.6 -42.0 -179.7 45.6 112.2 25.1 20 -1.4 0 0.0 21 -1.0 0 0.0 7 31
25 A 35 VAL V H H < TS+ 0 0 -66.5 -36.7 180.0 70.5 102.4 27.1 21 -2.2 27 -2.1 0 0.0 0 0.0 11 38
26 A 36 ASP D h < > T + 0 0 -80.5 72.6 -177.9 165.1 65.6 121.6 22 -2.6 29 -1.1 0 0.0 0 0.0 13 36
27 A 37 LYS K T T 3 TS+ 0 0 -61.1 -43.8 179.8 49.6 71.3 30.2 25 -2.1 0 0.0 0 0.0 0 0.0 8 26
28 A 38 ASP D T T 3 TS- 0 0 -75.7 -2.0 -180.0 -133.5 103.0 58.8 0 0.0 0 0.0 0 0.0 0 0.0 4 22
29 A 39 ARG R t < T + 0 0 55.3 27.5 -179.0 145.3 58.1 39.4 26 -1.1 0 0.0 0 0.0 0 0.0 7 22
30 A 40 SER S - 0 0 -69.4 -14.4 -179.5 -115.1 69.2 49.2 0 0.0 0 0.0 0 0.0 0 0.0 7 23
31 A 41 GLY G S S S+ 0 0 94.8 -6.2 179.5 83.3 92.1 70.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
32 A 42 VAL V S S S- 0 0 -134.7 133.5 178.4 -136.5 73.0 175.1 0 0.0 34 -0.5 0 0.0 0 0.0 10 40
33 A 43 ILE I B B B - 70 0 -88.4 125.3 -178.9 -156.6 27.9 140.4 70 -2.8 70 -1.9 0 0.0 0 0.0 15 49
34 A 44 SER S h > T - 0 0 -99.2 167.9 178.8 -98.3 33.4 121.8 32 -0.5 38 -2.6 0 0.0 0 0.0 11 45
35 A 45 ASP D H H > TS+ 0 0 -48.2 -41.5 -178.0 50.5 125.2 29.7 0 0.0 39 -1.9 0 0.0 0 0.0 12 43
36 A 46 ASN N H H > TS+ 0 0 -69.7 -39.7 -179.1 45.3 110.3 29.4 0 0.0 40 -1.2 0 0.0 0 0.0 7 36
37 A 47 GLU E H H > TS+ 0 0 -73.6 -36.3 -179.6 51.9 112.0 29.4 0 0.0 41 -0.7 0 0.0 0 0.0 11 41
38 A 48 LEU L H H X > TS+ 0 0 -62.8 -49.4 179.5 57.8 104.4 16.8 34 -2.6 42 -1.9 0 0.0 41 -1.9 11 55
39 A 49 GLN Q H H < 3 TS+ 0 0 -46.0 -47.2 -179.3 52.5 103.2 30.8 35 -1.9 0 0.0 0 0.0 0 0.0 13 46
40 A 50 GLN Q H H < 3 TS+ 0 0 -65.9 -20.5 -179.5 48.9 111.3 44.9 36 -1.2 0 0.0 0 0.0 0 0.0 10 37
41 A 51 ALA A H H < < TS+ 0 0 -88.5 -32.6 -178.3 77.7 99.8 38.3 38 -1.9 0 0.0 37 -0.7 0 0.0 7 46
42 A 52 LEU L h < T - 0 0 -78.7 160.9 -178.8 -153.6 65.2 109.7 38 -1.9 0 0.0 0 0.0 0 0.0 7 48
43 A 53 SER S - 0 0 -141.4 123.8 178.0 -176.2 22.3 166.5 0 0.0 0 0.0 0 0.0 0 0.0 11 42
44 A 54 ASN N - 0 0 -93.5 1.7 179.1 -127.5 46.9 68.4 0 0.0 138 -0.7 0 0.0 0 0.0 12 44
45 A 55 GLY G S S S+ 0 0 68.1 2.1 -179.5 96.0 88.6 61.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
46 A 56 THR T S S S- 0 0 -105.9 10.0 178.7 -112.1 98.2 74.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
47 A 57 TRP W S S S+ 0 0 68.9 21.8 178.8 109.3 84.0 44.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
48 A 58 THR T S S S- 0 0 -124.7 155.7 -179.7 -78.9 83.2 154.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
49 A 59 PRO P - 0 0 -56.0 135.5 -179.9 -96.6 59.0 106.5 0 0.0 0 0.0 0 0.0 0 0.0 9 28
50 A 60 PHE F - 0 0 -55.2 124.6 -179.9 -82.4 57.5 107.9 0 0.0 0 0.0 0 0.0 0 0.0 12 40
51 A 61 ASN N h > > T - 0 0 -32.7 100.4 -179.6 -151.3 42.4 89.2 0 0.0 55 -1.9 0 0.0 54 -1.1 10 43
52 A 62 PRO P H H > 3 TS+ 0 0 -50.5 -32.7 179.3 59.2 93.4 40.6 0 0.0 56 -2.1 0 0.0 0 0.0 9 38
53 A 63 VAL V H H > 3 TS+ 0 0 -65.2 -40.8 -179.4 46.4 106.9 27.2 0 0.0 57 -2.2 0 0.0 0 0.0 7 40
54 A 64 THR T H H > < TS+ 0 0 -68.9 -40.1 179.6 54.3 109.2 27.8 51 -1.1 58 -2.7 0 0.0 0 0.0 12 49
55 A 65 VAL V H H X TS+ 0 0 -60.0 -42.2 179.6 50.6 108.4 24.0 51 -1.9 59 -2.3 0 0.0 0 0.0 12 48
56 A 66 ARG R H H X TS+ 0 0 -60.2 -51.0 -180.0 48.5 110.1 18.3 52 -2.1 60 -2.6 0 0.0 0 0.0 9 41
57 A 67 SER S H H X TS+ 0 0 -56.3 -43.2 -179.4 48.9 112.6 25.5 53 -2.2 61 -0.9 0 0.0 0 0.0 8 46
58 A 68 ILE I H H X TS+ 0 0 -66.0 -37.0 -179.9 51.2 111.4 28.9 54 -2.7 62 -1.1 0 0.0 0 0.0 9 58
59 A 69 ILE I H H X > TS+ 0 0 -65.3 -53.6 -178.9 44.4 110.7 16.0 55 -2.3 63 -1.6 0 0.0 62 -0.7 14 49
60 A 70 SER S H H < 3 TS+ 0 0 -69.6 -10.1 178.3 63.2 107.2 52.7 56 -2.6 0 0.0 0 0.0 0 0.0 11 35
61 A 71 MET M H H < 3 TS+ 0 0 -80.9 -34.2 -179.4 26.1 117.0 32.7 57 -0.9 0 0.0 0 0.0 0 0.0 7 40
62 A 72 PHE F H H < < TS+ 0 0 -106.2 -5.5 178.4 94.1 100.5 60.1 58 -1.1 64 -0.8 59 -0.7 0 0.0 11 34
63 A 73 ASP D h < T + 0 0 -89.2 113.9 -179.7 172.6 46.0 143.4 59 -1.6 0 0.0 0 0.0 0 0.0 13 31
64 A 74 ARG R + 0 0 -84.3 -65.5 179.5 54.2 69.3 18.0 62 -0.8 66 -2.3 0 0.0 0 0.0 8 25
65 A 75 GLU E S S S- 0 0 -72.5 77.6 180.0 -114.0 106.8 117.8 0 0.0 0 0.0 0 0.0 0 0.0 4 20
66 A 76 ASN N S S S+ 0 0 -14.8 81.9 -178.7 138.4 70.9 72.0 64 -2.3 0 0.0 0 0.0 0 0.0 7 20
67 A 77 LYS K S S S- 0 0 -126.9 21.1 -179.6 -112.6 71.6 87.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
68 A 78 ALA A S S S+ 0 0 44.7 51.3 -179.9 43.2 93.0 24.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
69 A 79 GLY G S S S- 0 0 168.7 -177.1 179.4 -103.0 81.0 165.8 0 0.0 0 0.0 0 0.0 0 0.0 12 46
70 A 80 VAL V B B B - 33 0 -135.9 153.0 178.6 -138.1 19.8 164.0 33 -1.9 33 -2.8 0 0.0 0 0.0 15 48
71 A 81 ASN N h > T - 0 0 -97.2 -177.4 -178.8 -83.3 44.7 111.1 0 0.0 75 -2.4 0 0.0 0 0.0 10 42
72 A 82 PHE F H H > TS+ 0 0 -52.5 -60.3 -179.9 48.3 126.6 17.3 0 0.0 76 -1.9 0 0.0 0 0.0 10 40
73 A 83 SER S H H > TS+ 0 0 -47.2 -52.1 -179.4 43.3 115.7 26.4 0 0.0 77 -0.7 0 0.0 0 0.0 7 35
74 A 84 GLU E H H > > TS+ 0 0 -66.6 -30.4 -179.3 63.4 107.5 34.9 0 0.0 78 -1.8 0 0.0 77 -0.6 10 40
75 A 85 PHE F H H X 3 TS+ 0 0 -62.4 -41.2 179.4 58.5 93.6 25.7 71 -2.4 79 -3.9 0 0.0 0 0.0 12 54
76 A 86 THR T H H X 3 TS+ 0 0 -58.2 -25.6 177.6 52.4 106.4 33.9 72 -1.9 80 -2.2 0 0.0 0 0.0 9 43
77 A 87 GLY G H H X < TS+ 0 0 -73.7 -42.8 178.1 46.5 109.5 24.9 73 -0.7 81 -2.6 74 -0.6 0 0.0 9 40
78 A 88 VAL V H H X TS+ 0 0 -62.4 -46.3 -179.8 53.8 110.8 17.3 74 -1.8 82 -2.8 0 0.0 0 0.0 11 52
79 A 89 TRP W H H X TS+ 0 0 -51.3 -53.7 179.5 43.5 112.1 20.0 75 -3.9 83 -2.5 0 0.0 0 0.0 8 51
80 A 90 LYS K H H X TS+ 0 0 -59.2 -43.5 -179.7 53.2 112.7 26.5 76 -2.2 84 -3.0 0 0.0 0 0.0 9 37
81 A 91 TYR Y H H X TS+ 0 0 -61.1 -41.8 179.8 43.5 112.2 26.9 77 -2.6 85 -1.5 0 0.0 0 0.0 10 46
82 A 92 ILE I H H X TS+ 0 0 -70.8 -39.1 179.4 52.4 113.9 26.7 78 -2.8 86 -1.8 0 0.0 0 0.0 8 53
83 A 93 THR T H H X TS+ 0 0 -63.4 -47.7 179.0 49.8 107.3 21.9 79 -2.5 87 -1.9 0 0.0 0 0.0 8 34
84 A 94 ASP D H H X TS+ 0 0 -60.5 -36.5 179.9 51.8 110.9 27.5 80 -3.0 88 -2.1 0 0.0 0 0.0 10 34
85 A 95 TRP W H H X TS+ 0 0 -68.2 -35.4 179.3 54.0 105.2 30.9 81 -1.5 89 -2.7 0 0.0 0 0.0 11 48
86 A 96 GLN Q H H X TS+ 0 0 -64.0 -41.4 -179.8 50.2 108.6 25.2 82 -1.8 90 -2.9 0 0.0 0 0.0 9 41
87 A 97 ASN N H H X TS+ 0 0 -63.5 -45.6 177.9 48.3 110.9 21.1 83 -1.9 91 -2.1 0 0.0 0 0.0 8 34
88 A 98 VAL V H H X TS+ 0 0 -57.9 -47.6 -179.3 51.0 111.8 18.7 84 -2.1 92 -2.1 0 0.0 0 0.0 9 44
89 A 99 PHE F H H X TS+ 0 0 -55.9 -51.0 -179.3 45.7 111.5 20.2 85 -2.7 93 -2.0 0 0.0 0 0.0 11 49
90 A 100 ARG R H H < TS+ 0 0 -65.1 -31.3 179.1 59.3 107.5 34.7 86 -2.9 0 0.0 0 0.0 0 0.0 10 36
91 A 101 THR T H H < TS+ 0 0 -62.8 -46.5 -178.9 32.3 116.2 18.1 87 -2.1 0 0.0 0 0.0 0 0.0 7 34
92 A 102 TYR Y H H < TS+ 0 0 -87.8 -13.6 176.7 89.0 94.0 49.3 88 -2.1 94 -2.6 0 0.0 0 0.0 11 37
93 A 103 ASP D h < > T + 0 0 -79.3 74.0 -176.9 167.0 59.5 121.0 89 -2.0 96 -1.1 0 0.0 0 0.0 13 37
94 A 104 ARG R T T 3 T + 0 0 -64.9 -31.6 -179.6 50.2 65.0 43.4 92 -2.6 0 0.0 0 0.0 0 0.0 8 28
95 A 105 ASP D T T 3 TS- 0 0 -90.9 10.0 178.4 -123.8 108.2 70.0 0 0.0 0 0.0 0 0.0 0 0.0 4 21
96 A 106 ASN N t < T + 0 0 54.1 39.9 -179.5 135.7 68.1 34.0 93 -1.1 0 0.0 0 0.0 0 0.0 7 24
97 A 107 SER S - 0 0 -90.3 -16.8 -179.0 -118.7 70.0 50.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
98 A 108 GLY G S S S+ 0 0 91.8 -1.6 180.0 82.3 89.0 64.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
99 A 109 MET M S S S- 0 0 -135.7 147.8 179.7 -125.8 77.5 167.4 0 0.0 101 -0.6 0 0.0 0 0.0 10 46
100 A 110 ILE I B B C - 136 0 -97.7 115.7 179.1 -165.5 27.9 147.8 136 -3.0 136 -2.7 0 0.0 0 0.0 15 53
101 A 111 ASP D h > T - 0 0 -88.4 -175.2 -178.9 -88.1 39.3 103.8 99 -0.6 105 -2.7 0 0.0 0 0.0 10 47
102 A 112 LYS K H H > TS+ 0 0 -61.2 -46.4 179.7 48.6 126.2 25.3 0 0.0 106 -2.2 0 0.0 0 0.0 11 45
103 A 113 ASN N H H > TS+ 0 0 -62.9 -40.3 179.3 45.0 115.5 23.9 0 0.0 107 -1.4 0 0.0 0 0.0 6 36
104 A 114 GLU E H H > TS+ 0 0 -69.0 -38.9 179.8 54.0 111.3 25.8 0 0.0 108 -2.6 0 0.0 0 0.0 11 41
105 A 115 LEU L H H X TS+ 0 0 -63.3 -36.3 179.0 52.5 105.6 31.1 101 -2.7 109 -2.5 0 0.0 0 0.0 11 56
106 A 116 LYS K H H X TS+ 0 0 -65.9 -36.4 179.7 48.4 111.2 28.0 102 -2.2 110 -2.4 0 0.0 0 0.0 10 40
107 A 117 GLN Q H H X TS+ 0 0 -68.7 -43.2 179.8 50.4 110.5 25.7 103 -1.4 111 -2.6 0 0.0 0 0.0 9 38
108 A 118 ALA A H H X TS+ 0 0 -59.1 -56.2 -178.8 40.2 116.4 12.7 104 -2.6 112 -0.9 0 0.0 0 0.0 9 54
109 A 119 LEU L H H X >TS+ 0 0 -63.1 -40.1 178.1 52.4 113.7 30.0 105 -2.5 114 -2.1 0 0.0 113 -0.7 10 53
110 A 120 SER S H H < >5TS+ 0 0 -60.6 -43.1 179.8 51.7 109.7 17.6 106 -2.4 113 -1.5 0 0.0 0 0.0 10 38
111 A 121 GLY G H H < 35TS+ 0 0 -64.8 -21.4 179.0 55.9 105.0 44.1 107 -2.6 0 0.0 0 0.0 0 0.0 7 34
112 A 122 PHE F H H < 35TS- 0 0 -86.0 -10.8 179.9 -99.2 126.2 55.8 108 -0.9 0 0.0 0 0.0 0 0.0 11 39
113 A 123 GLY G T h < <5TS+ 0 0 110.1 -5.1 179.4 138.9 77.1 68.1 110 -1.5 5 -1.2 109 -0.7 0 0.0 10 28
114 A 124 TYR Y B B A T - 0 0 -69.7 163.5 179.6 -111.0 31.1 102.6 0 0.0 121 -0.7 0 0.0 0 0.0 6 25
118 A 128 ASP D H H > > TS+ 0 0 -59.0 -54.9 -179.5 59.3 114.2 15.8 0 0.0 121 -2.0 0 0.0 122 -0.7 7 24
119 A 129 GLN Q H H > > TS+ 0 0 -44.2 -40.3 -179.0 63.1 97.0 35.5 0 0.0 123 -1.2 0 0.0 122 -1.2 6 21
120 A 130 PHE F H H > 3 TS+ 0 0 -59.4 -33.5 -179.7 62.1 92.7 34.3 0 0.0 124 -2.6 0 0.0 0 0.0 8 32
121 A 131 HIS H H H X < TS+ 0 0 -66.0 -24.8 178.0 55.3 99.2 38.6 118 -2.0 125 -2.0 117 -0.7 0 0.0 12 38
122 A 132 ASP D H H X < TS+ 0 0 -69.4 -45.1 -179.7 46.4 110.1 20.6 119 -1.2 126 -2.7 118 -0.7 0 0.0 9 30
123 A 133 ILE I H H X TS+ 0 0 -60.5 -46.8 -179.7 52.4 110.9 22.8 119 -1.2 127 -2.4 0 0.0 0 0.0 8 31
124 A 134 LEU L H H X TS+ 0 0 -57.7 -45.9 179.6 43.2 113.4 25.1 120 -2.6 128 -2.1 0 0.0 0 0.0 9 45
125 A 135 ILE I H H X TS+ 0 0 -64.1 -59.6 179.8 49.7 113.0 10.4 121 -2.0 129 -3.8 0 0.0 0 0.0 12 43
126 A 136 ARG R H H < TS+ 0 0 -46.4 -40.2 -179.0 50.2 113.9 30.0 122 -2.7 0 0.0 0 0.0 0 0.0 10 28
127 A 137 LYS K H H < TS+ 0 0 -70.0 -42.6 -178.4 20.1 126.1 27.3 123 -2.4 0 0.0 0 0.0 0 0.0 7 34
128 A 138 PHE F H H < TS+ 0 0 -109.3 -5.5 179.5 100.4 93.9 59.4 124 -2.1 130 -1.4 0 0.0 0 0.0 11 39
129 A 139 ASP D h < T + 0 0 -84.2 90.7 -179.6 172.1 40.6 130.7 125 -3.8 0 0.0 0 0.0 0 0.0 13 44
130 A 140 ARG R S S S+ 0 0 -63.9 -45.5 179.3 65.3 73.4 22.6 128 -1.4 0 0.0 0 0.0 0 0.0 8 36
131 A 141 GLN Q S S S- 0 0 -45.5 -36.7 179.4 -142.1 99.0 33.2 0 0.0 0 0.0 0 0.0 0 0.0 8 31
132 A 142 GLY G + 0 0 73.4 45.4 179.2 102.4 69.7 23.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
133 A 143 ARG R S S S- 0 0 -135.0 -2.1 -179.7 -100.7 96.6 67.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
134 A 144 GLY G S S S+ 0 0 89.2 8.2 179.1 109.7 94.2 55.5 0 0.0 136 -0.5 0 0.0 0 0.0 10 34
135 A 145 GLN Q - 0 0 -118.9 114.9 -178.6 -145.3 62.5 168.0 0 0.0 137 -0.5 0 0.0 0 0.0 12 43
136 A 146 ILE I B B C - 100 0 -87.4 124.7 179.7 -143.4 12.2 135.4 100 -2.7 100 -3.0 134 -0.5 0 0.0 15 56
137 A 147 ALA A h > > T - 0 0 -81.4 163.3 -178.7 -96.6 30.8 112.9 135 -0.5 141 -1.6 0 0.0 140 -0.6 14 56
138 A 148 PHE F H H > > TS+ 0 0 -44.2 -54.4 -178.5 47.2 121.6 28.9 44 -0.7 142 -1.9 0 0.0 141 -0.5 13 61
139 A 149 ASP D H H > 3 TS+ 0 0 -63.4 -34.3 179.2 47.9 112.7 33.4 0 0.0 143 -1.8 0 0.0 0 0.0 11 58
140 A 150 ASP D H H > < TS+ 0 0 -78.5 -18.3 179.9 57.6 108.2 45.9 137 -0.6 144 -1.9 0 0.0 0 0.0 13 57
141 A 151 PHE F H H X < TS+ 0 0 -75.8 -42.8 178.8 46.5 107.2 26.1 137 -1.6 145 -2.0 138 -0.5 0 0.0 12 71
142 A 152 ILE I H H X TS+ 0 0 -62.4 -53.5 -179.1 47.8 114.3 13.4 138 -1.9 146 -2.8 0 0.0 0 0.0 10 64
143 A 153 GLN Q H H X TS+ 0 0 -55.2 -48.7 179.5 49.9 110.7 25.1 139 -1.8 147 -3.0 0 0.0 0 0.0 11 53
144 A 154 GLY G H H X TS+ 0 0 -58.1 -42.6 -179.6 46.1 114.3 23.0 140 -1.9 148 -2.0 0 0.0 0 0.0 10 58
145 A 155 CYS C H H X TS+ 0 0 -69.2 -35.6 178.7 51.7 111.1 32.0 141 -2.0 149 -2.4 0 0.0 0 0.0 8 63
146 A 156 ILE I H H X TS+ 0 0 -64.8 -49.6 -179.2 48.5 110.6 15.7 142 -2.8 150 -2.9 0 0.0 0 0.0 8 48
147 A 157 VAL V H H X TS+ 0 0 -58.9 -37.6 178.5 50.7 111.3 29.5 143 -3.0 151 -1.8 0 0.0 0 0.0 8 42
148 A 158 LEU L H H X TS+ 0 0 -64.3 -51.4 -179.0 40.8 115.1 15.3 144 -2.0 152 -2.1 0 0.0 0 0.0 8 46
149 A 159 GLN Q H H X TS+ 0 0 -65.2 -31.2 -179.3 53.4 115.4 32.5 145 -2.4 153 -1.2 0 0.0 0 0.0 10 39
150 A 160 ARG R H H X TS+ 0 0 -73.3 -29.4 179.4 39.6 115.0 37.4 146 -2.9 154 -1.0 0 0.0 0 0.0 8 35
151 A 161 LEU L H H X TS+ 0 0 -91.8 -23.1 179.2 59.5 109.7 48.1 147 -1.8 155 -2.1 0 0.0 0 0.0 8 34
152 A 162 THR T H H X TS+ 0 0 -74.9 -29.4 178.5 53.3 103.4 37.0 148 -2.1 156 -1.9 0 0.0 0 0.0 10 38
153 A 163 ASP D H H X TS+ 0 0 -65.6 -58.1 178.9 46.9 109.8 10.1 149 -1.2 157 -1.4 0 0.0 0 0.0 8 32
154 A 164 ILE I H H X > TS+ 0 0 -48.5 -49.0 -179.9 51.5 111.4 25.9 150 -1.0 158 -1.0 0 0.0 157 -0.7 9 32
155 A 165 PHE F H H X > TS+ 0 0 -57.5 -43.0 -179.4 53.2 107.7 24.6 151 -2.1 159 -3.0 0 0.0 158 -0.8 8 34
156 A 166 ARG R H H < 3 TS+ 0 0 -65.3 -25.6 178.5 61.3 99.5 42.5 152 -1.9 0 0.0 0 0.0 0 0.0 9 30
157 A 167 ARG R H H < < TS+ 0 0 -69.9 -27.2 -179.3 36.4 115.1 37.5 153 -1.4 0 0.0 154 -0.7 0 0.0 7 26
158 A 168 TYR Y H H < < TS+ 0 0 -92.2 -44.3 -179.0 74.9 99.5 29.7 154 -1.0 160 -2.7 155 -0.8 0 0.0 7 27
159 A 169 ASP D h < > T + 0 0 -74.3 74.9 -179.2 175.6 59.2 114.3 155 -3.0 162 -2.8 0 0.0 0 0.0 11 26
160 A 170 THR T T T 3 TS+ 0 0 -47.5 -42.9 179.9 41.3 81.5 33.4 158 -2.7 0 0.0 0 0.0 0 0.0 7 17
161 A 171 ASP D T T 3 TS- 0 0 -91.5 11.5 179.5 -135.5 102.8 75.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17
162 A 172 GLN Q t < T + 0 0 38.5 36.9 -179.1 139.9 59.1 41.3 159 -2.8 0 0.0 0 0.0 0 0.0 7 23
163 A 173 ASP D S S S- 0 0 -86.9 1.9 -179.8 -106.5 75.6 64.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
164 A 174 GLY G S S S+ 0 0 85.4 6.8 179.2 91.6 92.2 55.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
165 A 175 TRP W + 0 0 -135.3 148.8 178.2 175.8 47.0 167.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
166 A 176 ILE I - 0 0 -148.4 156.4 177.8 -134.5 25.1 169.2 0 0.0 168 -0.5 0 0.0 0 0.0 6 26
167 A 177 GLN Q - 0 0 -113.5 123.2 -180.0 -177.0 31.7 165.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
168 A 178 VAL V - 0 0 -126.6 149.1 178.2 -130.9 23.1 159.4 166 -0.5 0 0.0 0 0.0 0 0.0 7 21
169 A 179 SER S h > T - 0 0 -88.1 154.8 179.6 -101.0 40.4 127.2 0 0.0 173 -3.2 0 0.0 0 0.0 6 16
170 A 180 TYR Y H H > TS+ 0 0 -42.1 -48.1 179.9 46.1 122.8 32.3 0 0.0 174 -2.2 0 0.0 0 0.0 6 12
171 A 181 GLU E H H > TS+ 0 0 -62.5 -61.8 179.2 49.1 110.6 9.1 0 0.0 175 -4.5 0 0.0 0 0.0 7 13
172 A 182 GLN Q H H > TS+ 0 0 -42.9 -47.6 178.5 57.5 109.1 24.4 0 0.0 176 -3.9 0 0.0 0 0.0 9 19
173 A 183 TYR Y H H X TS+ 0 0 -47.2 -60.7 -179.9 32.8 116.1 16.4 169 -3.2 177 -1.5 0 0.0 0 0.0 9 19
174 A 184 LEU L H H X TS+ 0 0 -63.3 -45.9 -179.2 55.8 117.5 23.3 170 -2.2 178 -0.9 0 0.0 0 0.0 8 15
175 A 185 SER S H H < > TS+ 0 0 -55.1 -46.7 -179.9 39.6 113.7 23.7 171 -4.5 178 -0.5 0 0.0 0 0.0 7 16
176 A 186 MET M H H < 3 TS+ 0 0 -77.0 -21.3 178.6 54.0 113.9 40.9 172 -3.9 0 0.0 0 0.0 0 0.0 7 24
177 A 187 VAL V H H < 3 T 0 0 -85.1 -6.5 179.3 999.9 999.9 57.0 173 -1.5 0 0.0 0 0.0 0 0.0 6 22
178 A 188 PHE F h < < T 0 0 -109.8 999.9 999.9 999.9 999.9 37.9 174 -0.9 0 0.0 175 -0.5 0 0.0 4 15
1hqvA.pdb
1HQV APOPTOSIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SB S S HHHHHHHHHHH TT SSB HHHHHHH SSSS HHHHHHHHHHH SSSSSB HHHHHHHHHHHHHHHHHHHHH TT SSB Kabs/Sand
chirality +--+--- +--+++++++++++++-+-+---+++++++---+-+----+++++++++++++-+-+---+++++++++++++++++++++++-+-+-- chirality
bends S S S SSSSSSSSSSS SS SS SSSSSSS SSSS SSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSSSSSSS S SS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A B B C bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< >>>>X<<<< >>>>XXXXX<<<< >>>>XXXXXXXXXXXXXXX<<<< 4-turns
summary SB S ShHHHHHHHHHHHhTTt SSBhHHHHHHHh SSSS hHHHHHHHHHHHh SSSSSBhHHHHHHHHHHHHHHHHHHHHHhTTt SSB summary
sequence PGPGGGPGPAALPDQSFLWNVFQRVDKDRSGVISDNELQQALSNGTWTPFNPVTVRSIISMFDRENKAGVNFSEFTGVWKYITDWQNVFRTYDRDNSGMI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHTB HHHHHHHHHHH SS SS B HHHHHHHHHHHHHHHHHHHHH TT SS HHHHHHHH Kabs/Sand
chirality -++++++++++-+-+--+++++++++++++-+-+---+++++++++++++++++++++++-+-++----+++++++ chirality
bends SSSSSSSSSSSS SSSSSSSSSSS SS SS SSSSSSSSSSSSSSSSSSSSS SS SS SSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >>3<< >>3<<>33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A C bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXXXXXXXX<<<< >>>>XX<<<< 4-turns
summary hHHHHHHHHHHHhB hHHHHHHHHHHHhSS SS BhHHHHHHHHHHHHHHHHHHHHHhTTtSS hHHHHHHHHh summary
sequence DKNELKQALSGFGYRLSDQFHDILIRKFDRQGRGQIAFDDFIQGCIVLQRLTDIFRRYDTDQDGWIQVSYEQYLSMVF sequence
110 120 130 140 150 160 170
Messages
chain break between 10(A 17 ) and 11(A 21 )