Secondary structure calculation program - copyright by David Keith Smith, 1989
1e3yA.pdb
1E3Y APOPTOSIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 104
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 89 GLY G 0 0 999.9 -172.8 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 A 90 SER S + 0 0 -166.4 105.6 179.4 169.9 999.9 131.4 0 0.0 0 0.0 0 0.0 0 0.0 5 14
3 A 91 HIS H S S S+ 0 0 -103.1 19.5 -179.8 41.3 78.2 80.8 0 0.0 0 0.0 0 0.0 0 0.0 5 14
4 A 92 MET M S S S+ 0 0 -165.3 125.5 180.0 39.6 99.6 148.3 0 0.0 0 0.0 0 0.0 0 0.0 5 12
5 A 93 GLY G S S S+ 0 0 114.7 -2.0 179.8 112.4 73.2 68.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
6 A 94 GLU E t > T + 0 0 -91.3 32.6 -179.8 169.6 46.9 90.5 0 0.0 10 -1.9 0 0.0 0 0.0 8 26
7 A 95 GLU E T T 4 T + 0 0 -41.0 152.5 -179.2 5.1 68.1 88.2 0 0.0 9 -5.0 0 0.0 0 0.0 6 29
8 A 96 ASP D T h > > TS+ 0 0 62.2 -58.5 178.4 72.4 122.5 100.1 0 0.0 11 -1.8 0 0.0 12 -1.2 11 37
9 A 97 LEU L H H > 3>TS+ 0 0 -54.0 -26.9 179.6 75.5 80.7 33.0 7 -5.0 13 -3.4 0 0.0 14 -0.5 10 46
10 A 98 CYS C H H X 35TS+ 0 0 -52.6 -42.2 179.0 46.4 96.1 21.9 6 -1.9 14 -3.0 0 0.0 0 0.0 9 38
11 A 99 ALA A H H > <5TS+ 0 0 -69.3 -32.8 -180.0 50.4 112.9 30.0 8 -1.8 15 -1.4 0 0.0 0 0.0 10 43
12 A 100 ALA A H H X 5TS+ 0 0 -72.3 -42.7 179.5 32.2 121.2 21.3 8 -1.2 16 -1.5 0 0.0 0 0.0 13 56
13 A 101 PHE F H H X 5TS+ 0 0 -82.1 -34.9 177.8 51.3 120.6 28.5 9 -3.4 17 -1.4 0 0.0 0 0.0 8 55
14 A 102 ASN N H H X TS+ 0 0 -65.4 -59.7 179.7 49.9 102.2 7.0 11 -1.4 19 -1.9 0 0.0 18 -0.9 11 56
16 A 104 ILE I H H < 3 TS+ 0 0 -46.4 -35.8 -179.5 36.5 123.0 30.1 12 -1.5 0 0.0 0 0.0 0 0.0 13 62
17 A 105 CYS C H H < 3 TS+ 0 0 -92.1 -18.7 -177.1 59.0 113.6 50.2 13 -1.4 0 0.0 0 0.0 0 0.0 11 40
18 A 106 ASP D H H < < TS+ 0 0 -80.1 -51.5 -178.4 36.2 109.5 18.5 14 -1.6 0 0.0 15 -0.9 0 0.0 6 38
19 A 107 ASN N S h < > TS+ 0 0 -86.8 15.7 179.7 139.0 89.1 73.3 15 -1.9 22 -0.8 0 0.0 0 0.0 10 39
20 A 108 VAL V T T 3 T + 0 0 -47.7 177.0 -177.5 84.1 30.3 80.7 0 0.0 0 0.0 0 0.0 0 0.0 11 41
21 A 109 GLY G T T 3 TS- 0 0 111.9 -38.8 178.6 -8.6 127.0 101.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
22 A 110 LYS K S t < TS+ 0 0 -173.0 20.1 -179.5 86.9 118.6 81.4 19 -0.8 0 0.0 0 0.0 0 0.0 7 34
23 A 111 ASP D S h > TS+ 0 0 -100.8 -30.7 -178.9 60.7 79.9 42.3 0 0.0 27 -2.7 0 0.0 0 0.0 9 50
24 A 112 TRP W H H > TS+ 0 0 -66.7 -41.0 -179.7 59.1 96.4 23.9 0 0.0 28 -4.9 0 0.0 0 0.0 14 58
25 A 113 ARG R H H > TS+ 0 0 -60.0 -22.8 178.8 41.4 113.6 34.6 0 0.0 29 -1.1 0 0.0 0 0.0 8 50
26 A 114 ARG R H H > TS+ 0 0 -89.6 -43.0 178.2 41.5 119.7 27.2 0 0.0 30 -2.5 0 0.0 0 0.0 9 48
27 A 115 LEU L H H X TS+ 0 0 -69.8 -39.7 178.8 52.6 115.3 22.4 23 -2.7 31 -3.1 0 0.0 0 0.0 12 61
28 A 116 ALA A H H X >TS+ 0 0 -59.6 -53.4 -179.7 44.0 112.4 10.9 24 -4.9 33 -2.0 0 0.0 32 -0.7 13 57
29 A 117 ARG R H H X >5TS+ 0 0 -55.6 -54.5 -178.8 40.9 120.0 14.2 25 -1.1 32 -1.5 0 0.0 33 -0.5 12 45
30 A 118 GLN Q H H < 35TS+ 0 0 -64.8 -32.7 179.4 61.6 107.3 32.0 26 -2.5 0 0.0 0 0.0 0 0.0 10 44
31 A 119 LEU L H H < 35TS- 0 0 -68.3 -10.6 179.3 -93.6 132.7 47.5 27 -3.1 0 0.0 0 0.0 0 0.0 10 52
32 A 120 LYS K H H < <5T + 0 0 102.8 40.6 179.5 160.8 68.9 40.1 29 -1.5 34 -0.7 28 -0.7 0 0.0 9 40
33 A 121 VAL V h < > T - 0 0 -56.5 147.7 179.9 -117.5 20.0 102.3 32 -0.7 37 -2.4 0 0.0 38 -1.5 7 30
35 A 123 ASP D H H > 3 TS+ 0 0 -56.7 -32.5 178.5 65.7 117.8 27.6 0 0.0 39 -1.8 0 0.0 0 0.0 7 22
36 A 124 THR T H H > 3 TS+ 0 0 -58.7 -24.8 -179.6 51.1 101.4 38.2 0 0.0 40 -0.5 0 0.0 0 0.0 7 21
37 A 125 LYS K H H > X TS+ 0 0 -81.1 -51.1 178.9 57.1 100.0 19.4 34 -2.4 41 -4.2 0 0.0 40 -1.5 8 34
38 A 126 ILE I H H X 3 TS+ 0 0 -47.4 -37.0 179.2 49.3 110.5 25.9 34 -1.5 42 -2.0 0 0.0 0 0.0 13 40
39 A 127 ASP D H H X 3 TS+ 0 0 -74.4 -24.3 179.5 40.0 117.3 38.3 35 -1.8 43 -0.8 0 0.0 0 0.0 8 26
40 A 128 SER S H H X < TS+ 0 0 -89.1 -46.5 178.8 49.7 115.2 26.1 37 -1.5 44 -1.7 36 -0.5 0 0.0 8 30
41 A 129 ILE I H H X TS+ 0 0 -56.6 -49.1 179.1 41.6 117.1 17.8 37 -4.2 45 -1.7 0 0.0 0 0.0 12 39
42 A 130 GLU E H H < TS+ 0 0 -65.5 -40.9 179.2 58.6 110.2 21.4 38 -2.0 0 0.0 0 0.0 0 0.0 10 33
43 A 131 ASP D H H < TS+ 0 0 -57.9 -27.0 -179.7 48.7 107.4 35.7 39 -0.8 0 0.0 0 0.0 0 0.0 8 22
44 A 132 ARG R H H < TS+ 0 0 -83.7 -33.0 -180.0 29.0 123.4 33.0 40 -1.7 0 0.0 0 0.0 0 0.0 7 21
45 A 133 TYR Y h < > T + 0 0 -130.0 81.4 -179.6 162.5 61.8 132.8 41 -1.7 48 -0.7 0 0.0 0 0.0 10 25
46 A 134 PRO P T T 3 TS+ 0 0 -73.4 -10.4 -179.4 30.5 86.9 54.2 0 0.0 0 0.0 0 0.0 0 0.0 7 22
47 A 135 ARG R T T 3 TS+ 0 0 -133.6 18.6 -179.8 56.6 115.7 79.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
48 A 136 ASN N h > < T + 0 0 -155.4 98.1 178.3 171.1 39.6 131.1 45 -0.7 52 -1.9 0 0.0 0 0.0 7 28
49 A 137 LEU L H H > TS+ 0 0 -70.7 -40.5 -179.6 64.8 84.6 23.6 0 0.0 53 -2.9 0 0.0 0 0.0 12 36
50 A 138 THR T H H > TS+ 0 0 -52.3 -31.4 -179.9 41.9 108.1 33.4 0 0.0 54 -1.0 0 0.0 0 0.0 9 33
51 A 139 GLU E H H > TS+ 0 0 -84.2 -48.7 -179.6 49.6 112.7 21.8 0 0.0 55 -1.5 0 0.0 0 0.0 8 35
52 A 140 ARG R H H X TS+ 0 0 -58.2 -40.4 179.8 58.5 106.7 23.2 48 -1.9 56 -1.9 0 0.0 0 0.0 12 42
53 A 141 VAL V H H X TS+ 0 0 -53.8 -56.6 179.6 50.4 103.2 12.5 49 -2.9 57 -1.6 0 0.0 0 0.0 14 48
54 A 142 ARG R H H X TS+ 0 0 -51.9 -32.3 179.4 61.5 105.0 30.4 50 -1.0 58 -1.0 0 0.0 0 0.0 10 48
55 A 143 GLU E H H X > TS+ 0 0 -63.0 -47.8 178.5 54.5 97.8 14.9 51 -1.5 59 -1.0 0 0.0 58 -0.9 9 42
56 A 144 SER S H H X > TS+ 0 0 -49.1 -54.3 -179.6 71.3 94.4 14.2 52 -1.9 59 -3.7 0 0.0 60 -2.5 11 49
57 A 145 LEU L H H X 3>TS+ 0 0 -27.5 -55.4 -180.0 54.2 93.6 34.2 53 -1.6 61 -1.7 0 0.0 62 -0.6 9 54
58 A 146 ARG R H H < <5TS+ 0 0 -53.1 -34.5 178.0 21.9 128.1 26.1 54 -1.0 0 0.0 55 -0.9 0 0.0 8 33
59 A 147 ILE I H H X <5TS+ 0 0 -95.6 -52.9 179.4 71.8 111.7 28.3 56 -3.7 63 -1.5 55 -1.0 0 0.0 9 37
60 A 148 TRP W H H X 5TS+ 0 0 -27.1 -58.1 -179.3 26.9 115.8 34.2 56 -2.5 64 -1.2 0 0.0 0 0.0 13 48
61 A 149 LYS K H H X 5TS+ 0 0 -82.2 -28.9 -179.8 77.9 106.0 37.2 57 -1.7 65 -0.9 0 0.0 0 0.0 11 36
62 A 150 ASN N H H 4 TS+ 0 0 -27.4 -65.2 179.9 32.7 79.7 33.9 61 -0.9 68 -1.5 0 0.0 0 0.0 8 22
66 A 154 GLU E T T 4 3 TS+ 0 0 -65.2 -40.8 179.0 44.5 125.7 21.3 0 0.0 0 0.0 0 0.0 0 0.0 5 18
67 A 155 ASN N T T 4 3 TS+ 0 0 -86.6 19.8 -179.2 92.8 92.0 79.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
68 A 156 ALA A t < < T + 0 0 -104.9 40.7 -179.5 127.8 57.5 99.6 65 -1.5 0 0.0 64 -0.6 0 0.0 11 38
69 A 157 THR T S h > TS- 0 0 -88.6 174.8 179.5 -92.6 78.8 109.7 0 0.0 73 -1.8 0 0.0 0 0.0 8 41
70 A 158 VAL V H H > TS+ 0 0 -53.4 -48.3 -179.6 54.3 127.8 19.1 0 0.0 74 -1.7 0 0.0 0 0.0 11 47
71 A 159 ALA A H H > TS+ 0 0 -56.5 -35.7 178.6 58.4 102.4 26.6 0 0.0 75 -2.9 0 0.0 0 0.0 10 45
72 A 160 HIS H H H > TS+ 0 0 -59.5 -45.5 178.9 53.5 103.9 16.4 0 0.0 76 -2.6 0 0.0 0 0.0 9 48
73 A 161 LEU L H H X TS+ 0 0 -53.8 -67.0 179.6 28.1 120.6 10.9 69 -1.8 77 -1.9 0 0.0 0 0.0 12 65
74 A 162 VAL V H H X TS+ 0 0 -61.6 -47.6 179.1 58.3 118.9 12.9 70 -1.7 78 -2.1 0 0.0 0 0.0 14 51
75 A 163 GLY G H H X TS+ 0 0 -48.0 -34.6 179.2 50.4 107.0 28.9 71 -2.9 79 -1.0 0 0.0 0 0.0 9 43
76 A 164 ALA A H H X > TS+ 0 0 -71.7 -40.4 179.8 59.0 102.3 24.1 72 -2.6 80 -1.9 0 0.0 79 -0.5 13 49
77 A 165 LEU L H H < 3>TS+ 0 0 -55.3 -40.6 180.0 58.7 99.6 24.3 73 -1.9 82 -1.7 0 0.0 0 0.0 13 47
78 A 166 ARG R H H < >5TS+ 0 0 -57.2 -40.0 -179.8 43.4 109.4 25.3 74 -2.1 81 -0.8 0 0.0 0 0.0 10 34
79 A 167 SER S H H < <5TS+ 0 0 -77.2 -26.9 -179.5 66.2 103.2 37.7 75 -1.0 0 0.0 76 -0.5 0 0.0 8 29
80 A 168 CYS C T h < 35TS- 0 0 -77.0 10.9 -179.8 -120.5 109.4 69.0 76 -1.9 0 0.0 0 0.0 0 0.0 10 36
81 A 169 GLN Q T T <5TS+ 0 0 54.8 28.9 179.5 116.9 84.6 32.9 78 -0.8 0 0.0 0 0.0 0 0.0 6 27
82 A 170 MET M h > > 3 T + 0 0 -48.4 -22.4 179.3 72.8 67.8 39.4 0 0.0 87 -2.1 0 0.0 0 0.0 9 29
84 A 172 LEU L H H > 3 TS+ 0 0 -58.0 -60.9 178.6 29.5 107.6 5.6 0 0.0 88 -1.3 0 0.0 0 0.0 6 31
85 A 173 VAL V H H > X TS+ 0 0 -62.8 -53.4 179.7 59.3 116.2 10.6 82 -0.7 89 -2.7 0 0.0 88 -1.0 11 42
86 A 174 ALA A H H X 3 TS+ 0 0 -43.4 -33.9 179.7 59.6 101.7 30.3 82 -2.0 90 -2.3 0 0.0 0 0.0 14 44
87 A 175 ASP D H H X 3 TS+ 0 0 -63.4 -46.7 -179.9 39.6 109.2 19.0 83 -2.1 91 -1.3 0 0.0 0 0.0 9 34
88 A 176 LEU L H H X < TS+ 0 0 -72.1 -40.3 178.9 47.4 117.7 21.4 84 -1.3 92 -1.0 85 -1.0 0 0.0 9 38
89 A 177 VAL V H H X > TS+ 0 0 -69.5 -27.3 177.3 63.0 104.2 28.9 85 -2.7 93 -1.2 0 0.0 92 -0.6 13 46
90 A 178 GLN Q H H X 3 TS+ 0 0 -61.6 -34.7 176.5 62.7 92.6 21.8 86 -2.3 94 -1.5 0 0.0 0 0.0 10 38
91 A 179 GLU E H H X > TS+ 0 0 -54.1 -35.6 177.3 62.8 95.0 22.9 87 -1.3 95 -1.6 0 0.0 94 -0.5 8 33
92 A 180 VAL V H H X X TS+ 0 0 -52.1 -50.1 -179.6 55.4 96.7 17.9 88 -1.0 96 -1.4 89 -0.6 95 -0.7 13 39
93 A 181 GLN Q H H X 3 TS+ 0 0 -53.7 -35.9 179.5 56.9 102.4 29.4 89 -1.2 97 -1.3 0 0.0 0 0.0 11 36
94 A 182 GLN Q H H < < TS+ 0 0 -65.2 -36.8 179.5 53.2 103.4 25.3 90 -1.5 0 0.0 91 -0.5 0 0.0 8 26
95 A 183 ALA A H H X X TS+ 0 0 -68.4 -25.6 179.9 61.7 101.5 36.3 91 -1.6 98 -1.0 92 -0.7 99 -0.9 9 27
96 A 184 ARG R H H X > TS+ 0 0 -67.7 -39.2 179.9 67.0 89.4 24.4 92 -1.4 100 -4.4 0 0.0 99 -0.9 9 29
97 A 185 ASP D H H < 3 TS+ 0 0 -55.0 -16.5 -179.7 50.8 102.4 43.9 93 -1.3 0 0.0 0 0.0 0 0.0 8 20
98 A 186 LEU L H H 4 < TS+ 0 0 -92.6 -30.4 -179.1 22.2 125.3 38.4 95 -1.0 0 0.0 0 0.0 0 0.0 7 17
99 A 187 GLN Q H H < < TS+ 0 0 -108.3 -24.7 -179.4 84.0 100.3 47.4 95 -0.9 0 0.0 96 -0.9 0 0.0 6 20
100 A 188 ASN N h < T + 0 0 -54.6 -11.9 179.7 175.1 69.9 46.7 96 -4.4 0 0.0 0 0.0 0 0.0 6 19
101 A 189 ARG R + 0 0 37.4 -140.8 -179.6 129.3 26.9 89.2 0 0.0 0 0.0 0 0.0 0 0.0 6 12
102 A 190 SER S + 0 0 61.5 72.5 -179.6 172.5 24.5 4.9 0 0.0 0 0.0 0 0.0 0 0.0 4 8
103 A 191 GLY G 0 0 -90.0 -5.5 180.0 999.9 999.9 57.4 0 0.0 0 0.0 0 0.0 0 0.0 3 8
104 A 192 ALA A 0 0 -161.6 999.9 999.9 999.9 999.9 129.3 0 0.0 0 0.0 0 0.0 0 0.0 2 6
1e3yA.pdb
1E3Y APOPTOSIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS TTHHHHHHHHHHSTTSSHHHHHHHHH HHHHHHHHHH TT HHHHHHHHHHHHHHHHTTT SHHHHHHHHHHTT HHHHHHHHHHHHHHHHH Kabs/Sand
chirality +++++++++++++++++++-+++++++++-+--++++++++++++++++++++++++++++++++++-++++++++++-++++++++++++++++++++ chirality
bends SSS SSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSS SS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33< >33<>33< >33< >33X33< >33< >>3<< >33< >3><3<>33X33<>3>X33<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >4>>X>XXXX<<<< >>>>XXX<<<<>>>>XXXX<<<< >>>>XXXXXX>>>XXXX<<<< >>>>XXXXXXXX