Secondary structure calculation program - copyright by David Keith Smith, 1989
1hcsB.pdb
1HCS COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 107
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 B 140 MET M 0 0 999.9 -41.3 -179.9 999.9 999.9 999.9 0 0.0 3 -0.8 0 0.0 0 0.0 2 7
2 B 141 ASP D - 0 0 -55.3 100.3 -179.9 -179.2 999.9 108.8 0 0.0 0 0.0 0 0.0 0 0.0 5 13
3 B 142 SER S g > T - 0 0 -107.7 141.3 179.9 -133.5 37.1 148.8 1 -0.8 6 -1.4 0 0.0 0 0.0 6 16
4 B 143 ILE I G G > TS+ 0 0 -64.1 -15.2 -180.0 70.2 104.9 44.3 0 0.0 7 -0.9 0 0.0 0 0.0 6 28
5 B 144 GLN Q G G 3 TS+ 0 0 -71.6 -30.4 -180.0 31.7 108.9 32.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
6 B 145 ALA A G G < TS+ 0 0 -121.4 53.3 180.0 150.0 86.1 110.1 3 -1.4 0 0.0 0 0.0 0 0.0 8 21
7 B 146 GLU E g X T - 0 0 -83.6 154.8 -179.9 -118.6 58.1 120.8 4 -0.9 10 -1.6 0 0.0 0 0.0 9 30
8 B 147 GLU E T T 3 TS+ 0 0 -64.8 -18.7 -180.0 36.4 118.3 41.7 0 0.0 0 0.0 0 0.0 0 0.0 5 30
9 B 148 TRP W T e 3 TS+ 0 0 -123.5 35.3 179.9 97.7 96.1 94.5 0 0.0 35 -1.6 0 0.0 11 -0.5 9 44
10 B 149 TYR Y E E Aa < T + 35 0 -127.2 103.9 180.0 160.3 30.3 152.1 7 -1.6 0 0.0 0 0.0 0 0.0 11 41
11 B 150 PHE F E E A* - 0 0 -90.2 -33.6 180.0 -134.4 44.4 34.9 35 -1.4 0 0.0 9 -0.5 0 0.0 10 38
12 B 151 GLY G E E Aa - 36 0 117.4 -144.7 -180.0 -9.3 57.7 155.4 35 -0.6 37 -1.9 0 0.0 14 -0.8 8 34
13 B 152 LYS K S S S+ 0 0 -95.9 109.2 179.9 164.6 73.9 143.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
14 B 153 ILE I - 0 0 -118.9 166.2 -179.9 -99.5 38.4 140.6 12 -0.8 0 0.0 0 0.0 0 0.0 10 32
15 B 154 THR T h > T - 0 0 -78.1 168.5 180.0 -119.8 28.1 107.7 0 0.0 19 -1.3 0 0.0 0 0.0 7 26
16 B 155 ARG R H H > TS+ 0 0 -77.9 -36.1 180.0 56.8 110.7 28.9 0 0.0 20 -2.3 0 0.0 0 0.0 7 31
17 B 156 ARG R H H > TS+ 0 0 -60.0 -51.2 179.9 41.5 111.5 14.4 0 0.0 21 -1.3 0 0.0 0 0.0 6 20
18 B 157 GLU E H H > TS+ 0 0 -64.8 -35.5 180.0 61.7 109.6 27.3 0 0.0 22 -1.5 0 0.0 0 0.0 8 27
19 B 158 SER S H H X > TS+ 0 0 -55.2 -57.1 179.8 38.0 109.8 11.9 15 -1.3 23 -1.8 0 0.0 22 -1.1 9 41
20 B 159 GLU E H H X 3 TS+ 0 0 -66.5 -21.1 180.0 59.5 113.7 39.6 16 -2.3 24 -1.6 0 0.0 0 0.0 9 41
21 B 160 ARG R H H < 3 TS+ 0 0 -79.4 -19.1 -179.8 48.1 105.7 43.7 17 -1.3 0 0.0 0 0.0 0 0.0 8 30
22 B 161 LEU L H H < < TS+ 0 0 -88.2 -38.4 -179.8 37.2 118.3 30.9 18 -1.5 0 0.0 19 -1.1 0 0.0 8 41
23 B 162 LEU L H H < TS+ 0 0 -83.5 -27.3 180.0 69.0 106.9 37.5 19 -1.8 25 -1.6 0 0.0 0 0.0 13 46
24 B 163 LEU L S h < TS+ 0 0 -87.8 61.9 180.0 128.7 73.3 112.5 20 -1.6 0 0.0 0 0.0 0 0.0 11 35
25 B 164 ASN N t > T - 0 0 -119.9 132.6 180.0 -141.9 60.6 162.9 23 -1.6 28 -0.9 0 0.0 0 0.0 7 32
26 B 165 ALA A T T 3 TS+ 0 0 -63.7 -13.6 179.9 52.7 108.1 45.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
27 B 166 GLU E T T 3 TS+ 0 0 -93.7 -21.5 180.0 94.8 88.1 45.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
28 B 167 ASN N S t < TS- 0 0 -72.8 134.4 179.9 -127.4 77.2 122.7 25 -0.9 0 0.0 0 0.0 0 0.0 8 32
29 B 168 PRO P t > T - 0 0 -79.1 151.0 179.9 -90.7 33.8 117.2 0 0.0 32 -1.5 0 0.0 0 0.0 8 33
30 B 169 ARG R T T 3 TS+ 0 0 -63.9 115.1 -179.9 41.7 116.3 117.2 0 0.0 0 0.0 0 0.0 0 0.0 10 38
31 B 170 GLY G T e 3 TS+ 0 0 126.8 0.7 179.9 142.0 74.6 68.0 0 0.0 103 -1.8 0 0.0 104 -1.2 12 47
32 B 171 THR T E E Ab < T + 104 0 -74.0 135.4 -179.9 172.4 24.3 122.2 29 -1.5 50 -1.3 0 0.0 0 0.0 15 50
33 B 172 PHE F E E AbC - 105 49 -133.6 179.8 180.0 -163.7 17.0 140.9 104 -1.9 106 -1.3 0 0.0 0 0.0 15 61
34 B 173 LEU L E E A C - 0 48 -168.5 131.5 -179.9 -141.1 13.5 150.4 48 -1.5 48 -2.2 0 0.0 36 -0.5 12 61
35 B 174 VAL V E E AaC + 10 47 -100.9 126.6 -180.0 162.3 31.9 148.1 9 -1.6 11 -1.4 0 0.0 12 -0.6 12 63
36 B 175 ARG R E E AaC - 12 46 -128.2 -172.5 180.0 -73.8 42.8 130.1 46 -1.8 46 -1.7 34 -0.5 0 0.0 12 53
37 B 176 GLU E E E A C - 0 45 -83.9 156.8 -179.9 -90.4 58.4 119.8 12 -1.9 39 -0.6 0 0.0 0 0.0 10 38
38 B 177 SER S e + 0 0 -68.3 112.6 179.8 177.4 44.6 120.8 44 -2.0 0 0.0 0 0.0 0 0.0 12 32
39 B 178 GLU E S S S+ 0 0 -84.4 -40.1 -179.7 18.3 86.0 28.2 37 -0.6 0 0.0 0 0.0 0 0.0 9 30
40 B 179 THR T S S S+ 0 0 -104.0 -17.3 -180.0 65.1 123.2 51.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25
41 B 180 THR T S S S- 0 0 -90.0 -164.7 -179.8 -116.3 82.9 95.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
42 B 181 LYS K S S S- 0 0 -140.7 131.6 179.8 -11.2 80.3 171.0 0 0.0 0 0.0 0 0.0 0 0.0 6 18
43 B 182 GLY G S S S+ 0 0 49.0 46.7 179.8 96.6 113.6 22.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
44 B 183 ALA A e - 0 0 -150.0 -179.2 -179.9 -122.9 66.0 152.6 0 0.0 38 -2.0 0 0.0 0 0.0 10 39
45 B 184 TYR Y E E ACD - 37 65 -123.7 -179.7 -180.0 -135.9 12.8 132.6 65 -1.1 65 -1.5 0 0.0 0 0.0 13 50
46 B 185 CYS C E E ACD - 36 64 -144.3 114.0 179.9 -160.7 7.1 154.5 36 -1.7 36 -1.8 0 0.0 48 -0.8 12 50
47 B 186 LEU L E E ACD - 35 63 -96.8 110.9 -180.0 -173.0 17.3 144.3 63 -1.8 63 -1.8 0 0.0 0 0.0 12 67
48 B 187 SER S E E ACD - 34 62 -98.3 163.9 179.9 -169.4 1.0 126.3 34 -2.2 34 -1.5 46 -0.8 0 0.0 12 66
49 B 188 VAL V E E ACD - 33 61 -147.3 163.4 -180.0 -127.3 16.2 165.0 61 -2.0 61 -1.5 0 0.0 0 0.0 16 57
50 B 189 SER S E E A D - 0 60 -115.9 146.9 -180.0 -178.4 24.2 152.6 32 -1.3 0 0.0 0 0.0 0 0.0 15 47
51 B 190 ASP D E E A D - 0 59 -138.5 162.9 180.0 -153.2 11.3 159.1 59 -2.1 59 -1.0 0 0.0 0 0.0 13 42
52 B 191 PHE F E E A D - 0 58 -140.3 138.7 179.9 -168.7 7.3 176.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
53 B 192 ASP D e - 0 0 -125.9 153.4 -179.9 -127.3 29.0 156.4 57 -1.9 55 -0.7 0 0.0 0 0.0 7 21
54 B 193 ASN N S S S+ 0 0 -91.3 46.7 180.0 52.0 102.6 101.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
55 B 194 ALA A S S S- 0 0 -144.2 -45.0 -180.0 -0.4 125.0 62.4 53 -0.7 0 0.0 0 0.0 0 0.0 4 8
56 B 195 LYS K S S S- 0 0 -117.5 -70.2 -180.0 -95.4 98.6 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13
57 B 196 GLY G e - 0 0 177.8 -149.2 -180.0 -32.8 58.4 155.2 0 0.0 53 -1.9 0 0.0 0 0.0 7 21
58 B 197 LEU L E E AD - 52 0 -100.3 131.8 -180.0 -172.6 54.9 146.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
59 B 198 ASN N E E AD - 51 0 -112.8 178.7 -180.0 -122.4 20.3 125.6 51 -1.0 51 -2.1 0 0.0 0 0.0 8 34
60 B 199 VAL V E E AD - 50 0 -127.9 120.1 179.8 -161.0 17.3 164.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42
61 B 200 LYS K E E AD - 49 0 -100.8 129.7 -179.6 -150.2 9.1 147.3 49 -1.5 49 -2.0 0 0.0 63 -0.6 9 42
62 B 201 HIS H E E AD - 48 0 -101.4 122.8 179.7 -171.7 10.1 148.6 0 0.0 64 -0.7 0 0.0 0 0.0 8 48
63 B 202 TYR Y E E AD - 47 0 -113.4 87.5 -179.7 -146.7 17.2 139.5 47 -1.8 47 -1.8 61 -0.6 0 0.0 9 49
64 B 203 LYS K E E AD - 46 0 -52.5 128.3 179.7 -134.0 15.5 105.4 62 -0.7 66 -0.6 0 0.0 0 0.0 10 41
65 B 204 ILE I E E AD - 45 0 -89.9 120.7 -179.6 -146.8 19.2 139.5 45 -1.5 45 -1.1 0 0.0 0 0.0 11 49
66 B 205 ARG R E E AE - 74 0 -79.2 171.5 -179.8 -148.7 6.3 106.0 74 -1.2 74 -1.2 64 -0.6 0 0.0 10 40
67 B 206 LYS K E E AE - 73 0 -145.7 124.7 179.8 -132.0 10.7 163.5 0 0.0 0 0.0 0 0.0 0 0.0 11 36
68 B 207 LEU L E E >AE > T - 72 0 -76.9 130.6 -179.9 -133.2 18.1 126.1 72 -1.0 71 -1.1 0 0.0 72 -1.0 8 26
69 B 208 ASP D T T 4 3 TS+ 0 0 -55.0 -19.9 179.9 63.3 107.6 39.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
70 B 209 SER S T T 4 3 TS- 0 0 -72.7 -40.6 -180.0 -81.2 131.6 24.1 0 0.0 0 0.0 0 0.0 0 0.0 4 14
71 B 210 GLY G T T 4 < TS+ 0 0 138.9 58.3 -180.0 95.1 90.8 61.3 68 -1.1 0 0.0 0 0.0 0 0.0 7 21
72 B 211 GLY G E E TS- 0 0 -144.0 157.2 180.0 -109.7 87.1 168.1 0 0.0 78 -1.9 0 0.0 79 -0.5 6 32
77 B 216 SER S T T 3 TS+ 0 0 -86.0 68.4 -179.9 53.3 107.4 116.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
78 B 217 ARG R T T 3 TS+ 0 0 -164.4 -37.2 -179.8 47.9 100.1 72.9 76 -1.9 0 0.0 0 0.0 0 0.0 4 22
79 B 218 THR T t < T - 0 0 -121.7 140.2 179.8 -170.3 59.9 161.6 76 -0.5 0 0.0 0 0.0 0 0.0 7 30
80 B 219 GLN Q - 0 0 -124.9 158.7 -179.9 -162.9 2.2 151.6 0 0.0 0 0.0 0 0.0 0 0.0 9 28
81 B 220 PHE F B B A - 73 0 -138.7 159.0 180.0 -139.4 24.3 162.5 73 -1.9 73 -1.7 0 0.0 0 0.0 10 30
82 B 221 ASN N S S S+ 0 0 -100.5 10.3 180.0 22.5 91.5 72.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
83 B 222 SER S S h > > TS- 0 0 -172.2 137.0 179.9 -115.8 78.2 150.9 0 0.0 87 -1.8 0 0.0 86 -0.9 8 37
84 B 223 LEU L H H > 3 TS+ 0 0 -48.4 -25.3 179.9 60.8 118.2 36.1 0 0.0 88 -1.4 0 0.0 0 0.0 8 50
85 B 224 GLN Q H H > 3 TS+ 0 0 -70.0 -46.4 179.9 50.4 100.2 18.4 0 0.0 89 -1.8 0 0.0 0 0.0 6 43
86 B 225 GLN Q H H > < TS+ 0 0 -58.1 -42.9 179.8 51.2 109.9 21.2 83 -0.9 90 -2.3 0 0.0 0 0.0 9 36
87 B 226 LEU L H H X TS+ 0 0 -63.4 -32.8 -179.8 51.2 109.4 29.8 83 -1.8 91 -1.7 0 0.0 0 0.0 12 49
88 B 227 VAL V H H < TS+ 0 0 -75.3 -26.3 -179.9 51.6 109.0 36.6 84 -1.4 0 0.0 0 0.0 0 0.0 9 53
89 B 228 ALA A H H X > TS+ 0 0 -75.7 -48.7 -179.9 45.2 110.8 18.0 85 -1.8 93 -0.8 0 0.0 92 -0.6 8 39
90 B 229 TYR Y H H X > TS+ 0 0 -59.7 -51.5 -180.0 42.2 118.6 14.5 86 -2.3 94 -1.5 0 0.0 93 -1.3 9 32
91 B 230 TYR Y H H < 3 TS+ 0 0 -72.0 -6.1 -179.8 65.0 108.3 53.3 87 -1.7 102 -1.7 0 0.0 0 0.0 12 46
92 B 231 SER S H H 4 < TS+ 0 0 -90.1 -14.6 -179.9 21.8 117.8 49.3 89 -0.6 0 0.0 0 0.0 0 0.0 10 39
93 B 232 LYS K H H < < TS+ 0 0 -129.0 -2.6 179.8 42.9 129.3 66.5 90 -1.3 0 0.0 89 -0.8 0 0.0 8 24
94 B 233 HIS H h < T - 0 0 -147.7 92.6 180.0 -165.8 57.0 134.9 90 -1.5 0 0.0 0 0.0 0 0.0 7 23
95 B 234 ALA A - 0 0 -46.0 -36.1 -179.9 -160.8 21.0 29.5 0 0.0 0 0.0 0 0.0 0 0.0 12 34
96 B 235 ASP D S S S- 0 0 55.2 38.6 -179.9 -37.6 78.5 25.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
97 B 236 GLY G S S S+ 0 0 85.7 19.6 -180.0 137.4 112.3 44.4 0 0.0 0 0.0 0 0.0 0 0.0 4 22
98 B 237 LEU L S S S- 0 0 -84.8 -168.3 -179.9 -96.0 72.0 94.6 0 0.0 0 0.0 0 0.0 0 0.0 7 39
99 B 238 CYS C S S S- 0 0 -82.2 -28.4 -179.8 -24.1 97.3 36.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38
100 B 239 HIS H S S S- 0 0 178.7 133.4 179.2 -93.2 72.6 139.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
101 B 240 ARG R - 0 0 -51.4 135.9 179.7 -97.0 58.7 103.4 0 0.0 0 0.0 0 0.0 0 0.0 11 33
102 B 241 LEU L + 0 0 -56.9 135.3 -179.8 160.0 56.1 108.2 91 -1.7 0 0.0 0 0.0 0 0.0 14 43
103 B 242 THR T + 0 0 -128.1 -37.4 -179.8 13.8 59.1 52.1 31 -1.8 0 0.0 0 0.0 0 0.0 9 34
104 B 243 THR T E E Ab - 32 0 -138.7 164.1 179.8 -131.8 65.7 158.4 31 -1.2 33 -1.9 0 0.0 0 0.0 8 38
105 B 244 VAL V E E Ab - 33 0 -112.1 168.6 -179.9 -85.8 38.4 133.4 0 0.0 0 0.0 0 0.0 0 0.0 10 43
106 B 245 CYS C e 0 0 -76.2 135.9 -179.9 999.9 999.9 124.9 33 -1.3 0 0.0 0 0.0 0 0.0 9 44
107 B 246 PRO P 0 0 -78.4 999.9 999.9 999.9 999.9 121.4 0 0.0 0 0.0 0 0.0 0 0.0 2 34
1hcsB.pdb
1HCS COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG TTEEES HHHHHHHHS TTS TTEEEEEE SSSSS EEEEEEEE SSS EEEEEEEEEEETTTEEESSTT BSSHHHHHHHHHH SSSSS Kabs/Sand
chirality --+++-+++--+--+++++++++-++--+++--+--+++--+----------+--------------+-+-+-+-++---+-++++++++++---+--- chirality
bends SSS SS S SSSSSSSSS SSS SS SSSSS SSS SSS SSSS SSSSSSSSSSSS SSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>333< >33<>33< >33< >33< >33< >>3<< 3-turns
bridge-2 CCCCC DDDDDDDD A bridge-2
bridge-1 a*a bb aa CCCCC DDDDDDDDEEE EEE A bridge-1
sheets AAA AAAAAA AAAAAAAA AAAAAAAAAAA AAA sheets
4-turns >>>>XX<<<< >444< >>>>X