Secondary structure calculation program - copyright by David Keith Smith, 1989
1g4wR.pdb
1G4W SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 341
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 R 171 LEU L h > > T 0 0 999.9 -28.8 -179.6 999.9 999.9 999.9 0 0.0 5 -1.5 0 0.0 4 -0.6 6 18
2 R 172 LEU L H H > 3 T + 0 0 -83.6 -9.8 179.5 78.8 999.9 55.9 0 0.0 6 -0.5 0 0.0 0 0.0 8 30
3 R 173 ASP D H H > 3 TS+ 0 0 -65.1 -30.3 -179.7 33.5 106.7 33.5 0 0.0 7 -1.2 0 0.0 0 0.0 6 25
4 R 174 ILE I H H > < TS+ 0 0 -88.4 -53.4 -179.7 57.3 112.2 25.3 1 -0.6 8 -3.4 0 0.0 0 0.0 9 28
5 R 175 ALA A H H < TS+ 0 0 -59.1 -2.5 179.8 44.3 114.8 59.1 1 -1.5 0 0.0 0 0.0 0 0.0 13 39
6 R 176 LEU L H H X > TS+ 0 0 -107.1 -52.3 179.5 35.7 118.6 37.1 2 -0.5 10 -1.2 0 0.0 9 -1.0 12 39
7 R 177 LYS K H H X 3 TS+ 0 0 -68.0 -42.8 179.8 55.9 116.4 23.3 3 -1.2 11 -0.6 0 0.0 0 0.0 8 34
8 R 178 GLY G H H < 3 TS+ 0 0 -71.3 8.7 179.6 41.0 115.0 69.4 4 -3.4 0 0.0 0 0.0 0 0.0 11 35
9 R 179 LEU L H H > < TS+ 0 0 -126.6 -19.3 179.7 64.1 104.2 62.6 6 -1.0 13 -0.9 0 0.0 0 0.0 12 43
10 R 180 LYS K H H < TS+ 0 0 -86.4 -0.1 179.9 30.5 116.8 64.7 6 -1.2 0 0.0 0 0.0 0 0.0 9 37
11 R 181 ARG R T h < TS+ 0 0 -124.4 -35.6 -179.5 57.8 113.7 52.8 7 -0.6 0 0.0 0 0.0 0 0.0 8 35
12 R 182 THR T T h > TS+ 0 0 -69.5 -32.1 179.8 57.9 102.2 35.1 0 0.0 16 -1.3 0 0.0 0 0.0 12 35
13 R 183 LEU L H H X > TS+ 0 0 -63.8 -60.2 -180.0 53.5 99.2 9.7 9 -0.9 17 -2.9 0 0.0 16 -0.8 13 45
14 R 184 PRO P H H > 3 TS+ 0 0 -50.9 -13.6 179.1 62.6 104.6 47.2 0 0.0 18 -1.4 0 0.0 0 0.0 8 31
15 R 185 GLN Q H H 4 3 TS+ 0 0 -75.5 -52.4 179.0 35.2 109.3 18.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
16 R 186 LEU L H H < < TS+ 0 0 -67.7 -36.0 178.8 65.9 110.8 30.8 12 -1.3 0 0.0 13 -0.8 0 0.0 12 42
17 R 187 GLU E H H < TS+ 0 0 -48.5 -50.4 179.6 47.6 103.9 21.7 13 -2.9 19 -1.1 0 0.0 0 0.0 10 33
18 R 188 GLN Q S h < TS+ 0 0 -97.0 88.0 -180.0 121.1 89.0 139.6 14 -1.4 0 0.0 0 0.0 0 0.0 6 28
19 R 189 MET M - 0 0 -153.0 139.9 179.9 -153.2 42.7 169.8 17 -1.1 0 0.0 0 0.0 0 0.0 9 30
20 R 190 ASP D - 0 0 -100.2 -175.2 179.4 -102.2 33.5 108.8 0 0.0 0 0.0 0 0.0 0 0.0 8 27
21 R 191 GLY G S g > TS+ 0 0 -74.0 -59.6 179.8 35.4 122.4 12.0 0 0.0 24 -0.9 0 0.0 0 0.0 11 29
22 R 192 ASN N G G > TS+ 0 0 -69.0 -14.1 178.8 79.0 102.0 48.0 0 0.0 25 -1.9 0 0.0 0 0.0 7 24
23 R 193 SER S G G 3 TS+ 0 0 -77.0 19.1 -179.5 58.9 89.5 78.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
24 R 194 LEU L G G < T 0 0 -129.3 9.9 179.7 999.9 999.9 81.2 21 -0.9 0 0.0 0 0.0 0 0.0 9 37
25!R 195 ARG R g < T 0 0 -135.8 999.9 999.9 999.9 999.9 101.1 22 -1.9 0 0.0 0 0.0 0 0.0 6 26
26!R 207 PRO P h > T 0 0 999.9 -54.1 179.7 999.9 999.9 999.9 0 0.0 30 -4.4 0 0.0 0 0.0 8 35
27 R 208 LEU L H H > T + 0 0 -67.9 -40.1 179.3 40.4 999.9 27.3 0 0.0 31 -1.5 0 0.0 0 0.0 8 43
28 R 209 ARG R H H 4 TS+ 0 0 -78.5 -23.6 179.2 46.9 121.1 41.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
29 R 210 SER S H H > > TS+ 0 0 -80.0 -51.4 179.8 54.7 107.1 21.8 0 0.0 33 -1.7 0 0.0 32 -0.9 9 32
30 R 211 LEU L H H X 3 TS+ 0 0 -47.7 -56.1 -180.0 48.5 108.3 22.2 26 -4.4 34 -1.8 0 0.0 0 0.0 12 48
31 R 212 MET M H H X 3 TS+ 0 0 -58.7 -25.7 -180.0 61.5 105.7 39.7 27 -1.5 35 -2.5 0 0.0 0 0.0 9 46
32 R 213 THR T H H > < TS+ 0 0 -67.3 -45.0 179.5 47.2 103.5 22.8 29 -0.9 36 -1.6 0 0.0 0 0.0 9 34
33 R 214 ASN N H H X TS+ 0 0 -61.2 -44.8 -179.6 49.4 113.5 22.5 29 -1.7 37 -2.2 0 0.0 0 0.0 13 39
34 R 215 LEU L H H X TS+ 0 0 -60.4 -49.7 179.4 51.9 107.8 22.3 30 -1.8 38 -1.8 0 0.0 0 0.0 11 51
35 R 216 GLN Q H H < TS+ 0 0 -56.5 -34.9 180.0 53.4 109.3 32.0 31 -2.5 0 0.0 0 0.0 0 0.0 7 37
36 R 217 ASN N H H < TS+ 0 0 -66.3 -50.5 179.0 52.4 103.6 17.7 32 -1.6 0 0.0 0 0.0 0 0.0 9 30
37 R 218 LEU L H H < T 0 0 -52.2 -34.9 -179.4 999.9 999.9 29.9 33 -2.2 0 0.0 0 0.0 0 0.0 9 36
38!R 219 ASN N h < T 0 0 -63.4 999.9 999.9 999.9 999.9 82.0 34 -1.8 0 0.0 0 0.0 0 0.0 6 29
39!R 225 LYS K h > T 0 0 999.9 -72.0 179.4 999.9 999.9 999.9 0 0.0 43 -2.5 0 0.0 0 0.0 7 25
40 R 226 GLN Q H H > T + 0 0 -63.4 -11.9 179.2 51.4 999.9 49.0 99 -0.6 44 -0.5 0 0.0 0 0.0 9 30
41 R 227 LEU L H H > TS+ 0 0 -92.7 -29.3 179.4 53.1 106.0 42.7 0 0.0 45 -1.7 0 0.0 0 0.0 9 41
42 R 228 ASN N H H > TS+ 0 0 -73.1 -39.8 179.3 50.0 107.2 28.4 0 0.0 46 -3.0 0 0.0 0 0.0 10 42
43 R 229 ASP D H H X TS+ 0 0 -66.3 -34.4 178.6 53.7 109.1 29.4 39 -2.5 47 -2.2 0 0.0 0 0.0 8 40
44 R 230 TYR Y H H X TS+ 0 0 -62.7 -45.7 179.8 42.5 113.5 21.5 40 -0.5 48 -1.8 0 0.0 0 0.0 12 54
45 R 231 VAL V H H X TS+ 0 0 -68.5 -40.0 179.8 57.7 109.3 28.1 41 -1.7 49 -3.0 0 0.0 0 0.0 11 57
46 R 232 THR T H H X TS+ 0 0 -56.9 -45.1 180.0 49.3 107.0 23.4 42 -3.0 50 -1.0 0 0.0 0 0.0 8 45
47 R 233 THR T H H < > TS+ 0 0 -59.6 -53.6 -179.5 42.9 114.6 16.8 43 -2.2 50 -0.7 0 0.0 0 0.0 11 54
48 R 234 LEU L H H < > TS+ 0 0 -57.6 -53.0 -178.8 51.7 113.2 17.4 44 -1.8 51 -2.1 0 0.0 0 0.0 11 61
49 R 235 THR T H H < 3 TS+ 0 0 -59.1 -18.3 -178.5 60.6 104.5 47.3 45 -3.0 59 -1.3 0 0.0 0 0.0 10 56
50 R 236 ASN N T h < < TS+ 0 0 -93.4 2.3 179.4 117.1 73.5 66.1 46 -1.0 0 0.0 47 -0.7 0 0.0 10 45
51 R 237 ILE I S t < TS- 0 0 -72.1 130.6 -179.4 -112.6 73.1 123.1 48 -2.1 58 -1.8 0 0.0 0 0.0 11 48
52 R 238 GLN Q + 0 0 -70.0 129.2 179.7 178.5 35.0 118.0 129 -2.5 0 0.0 0 0.0 0 0.0 11 39
53 R 239 VAL V S S S- 0 0 -130.6 77.7 -179.4 -2.3 77.9 134.7 0 0.0 0 0.0 0 0.0 0 0.0 10 45
54 R 240 GLY G S S S- 0 0 105.0 52.8 -179.8 -58.7 125.9 35.0 0 0.0 0 0.0 0 0.0 0 0.0 8 41
55 R 241 VAL V S S S+ 0 0 50.0 23.9 179.8 69.7 132.3 43.0 0 0.0 0 0.0 0 0.0 0 0.0 5 31
56 R 242 ALA A S S S- 0 0 -128.3 -113.7 -179.9 -91.4 92.6 80.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
57 R 243 ARG R g > > T - 0 0 -174.4 144.6 -178.8 -116.3 22.4 152.4 0 0.0 60 -1.3 0 0.0 61 -0.5 12 39
58 R 244 PHE F G G 4 > TS+ 0 0 -60.5 -26.2 179.9 69.1 113.5 36.5 51 -1.8 61 -1.1 0 0.0 0 0.0 10 52
59 R 245 SER S G G 4 3 TS+ 0 0 -79.0 24.8 180.0 58.7 94.3 85.4 49 -1.3 0 0.0 0 0.0 0 0.0 7 43
60 R 246 GLN Q G G 4 < T 0 0 -122.2 -24.7 180.0 999.9 999.9 59.2 57 -1.3 0 0.0 0 0.0 0 0.0 7 35
61!R 247 TRP W g < < T 0 0 -76.3 999.9 999.9 999.9 999.9 99.3 58 -1.1 0 0.0 57 -0.5 0 0.0 7 43
62!R 253 GLU E h > T 0 0 999.9 -9.4 -179.9 999.9 999.9 999.9 0 0.0 66 -0.8 0 0.0 0 0.0 6 17
63 R 254 VAL V H H > T + 0 0 -70.7 -33.0 179.6 50.6 999.9 34.5 0 0.0 67 -2.0 0 0.0 0 0.0 9 28
64 R 255 GLU E H H > TS+ 0 0 -71.3 -42.0 179.6 53.0 106.8 25.9 0 0.0 68 -1.6 0 0.0 0 0.0 6 25
65 R 256 ARG R H H 4 TS+ 0 0 -62.9 -24.6 -179.0 46.4 114.2 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 19
66 R 257 TRP W H H < TS+ 0 0 -87.4 -36.3 -179.1 55.7 106.2 34.6 62 -0.8 0 0.0 0 0.0 0 0.0 8 29
67 R 258 VAL V H H < T 0 0 -63.8 -54.2 180.0 999.9 999.9 16.4 63 -2.0 0 0.0 0 0.0 0 0.0 9 32
68!R 259 ASP D h < T 0 0 -60.8 999.9 999.9 999.9 999.9 9.9 64 -1.6 0 0.0 0 0.0 0 0.0 6 21
69!R 261 ALA A 0 0 999.9 166.4 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
70 R 262 SER S h > T - 0 0 -121.8 162.4 179.9 -102.0 999.9 145.5 0 0.0 74 -1.2 0 0.0 0 0.0 5 22
71 R 263 THR T H H > TS+ 0 0 -49.5 -34.4 -179.5 50.1 127.1 32.7 0 0.0 75 -1.1 0 0.0 0 0.0 8 21
72 R 264 HIS H H H > TS+ 0 0 -72.7 -41.3 -179.2 56.1 103.5 28.8 0 0.0 76 -1.6 0 0.0 0 0.0 7 22
73 R 265 GLU E H H 4 TS+ 0 0 -68.3 -13.2 179.8 47.6 110.1 50.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
74 R 266 LEU L H H X TS+ 0 0 -97.6 -28.7 179.1 56.1 104.8 42.8 70 -1.2 78 -2.6 0 0.0 0 0.0 13 34
75 R 267 THR T H H X TS+ 0 0 -70.2 -35.2 179.5 55.3 104.3 29.6 71 -1.1 79 -2.6 0 0.0 0 0.0 10 29
76 R 268 GLN Q H H X TS+ 0 0 -68.7 -20.6 179.0 45.9 111.3 43.6 72 -1.6 80 -0.7 0 0.0 0 0.0 8 37
77 R 269 ALA A H H > TS+ 0 0 -86.1 -46.3 179.5 49.5 111.0 27.4 0 0.0 81 -2.8 0 0.0 0 0.0 11 47
78 R 270 VAL V H H X TS+ 0 0 -58.0 -42.4 179.6 52.5 110.5 25.2 74 -2.6 82 -1.9 0 0.0 0 0.0 12 43
79 R 271 LYS K H H X TS+ 0 0 -61.3 -37.9 179.1 47.3 110.5 29.7 75 -2.6 83 -1.6 0 0.0 0 0.0 8 36
80 R 272 LYS K H H X TS+ 0 0 -70.2 -38.0 179.7 52.9 110.2 27.4 76 -0.7 84 -2.1 0 0.0 0 0.0 9 49
81 R 273 ILE I H H X TS+ 0 0 -67.2 -29.1 178.2 54.4 105.9 36.4 77 -2.8 85 -2.1 0 0.0 0 0.0 11 56
82 R 274 HIS H H H X TS+ 0 0 -69.1 -41.5 -179.3 51.0 107.3 24.6 78 -1.9 86 -2.4 0 0.0 0 0.0 10 43
83 R 275 VAL V H H X TS+ 0 0 -61.5 -48.7 -179.4 44.4 112.5 21.8 79 -1.6 87 -1.9 0 0.0 0 0.0 9 46
84 R 276 ILE I H H X TS+ 0 0 -62.9 -50.4 179.3 49.8 113.4 16.9 80 -2.1 88 -3.2 0 0.0 0 0.0 11 56
85 R 277 ALA A H H X TS+ 0 0 -53.7 -43.7 179.7 55.0 108.3 26.0 81 -2.1 89 -1.2 0 0.0 0 0.0 11 56
86 R 278 LYS K H H < > TS+ 0 0 -56.8 -45.6 179.6 43.8 111.5 23.2 82 -2.4 89 -0.5 0 0.0 0 0.0 10 39
87 R 279 GLU E H H < > TS+ 0 0 -65.5 -48.2 -179.5 62.3 104.9 19.5 83 -1.9 90 -3.2 0 0.0 0 0.0 12 51
88 R 280 LEU L H H X > TS+ 0 0 -50.1 -26.4 179.1 76.9 84.6 41.8 84 -3.2 92 -1.8 0 0.0 91 -1.0 11 61
89 R 281 LYS K H H X < TS+ 0 0 -58.6 -16.1 179.0 63.0 87.9 45.3 85 -1.2 93 -1.4 86 -0.5 0 0.0 9 44
90 R 282 ASN N H H > < TS+ 0 0 -74.4 -41.8 179.2 49.2 99.2 28.5 87 -3.2 94 -2.4 0 0.0 0 0.0 8 48
91 R 283 VAL V H H > < TS+ 0 0 -63.0 -40.5 179.4 58.2 107.0 25.0 88 -1.0 95 -2.1 0 0.0 0 0.0 10 56
92 R 284 THR T H H X TS+ 0 0 -53.9 -46.1 -179.6 43.0 109.7 24.9 88 -1.8 96 -3.0 0 0.0 0 0.0 11 42
93 R 285 ALA A H H X TS+ 0 0 -70.1 -40.0 -179.7 54.5 110.6 28.1 89 -1.4 97 -0.9 0 0.0 0 0.0 8 29
94 R 286 GLU E H H < TS+ 0 0 -65.5 -27.7 178.8 37.6 117.3 37.0 90 -2.4 0 0.0 0 0.0 0 0.0 8 35
95 R 287 LEU L H H < > TS+ 0 0 -86.1 -46.3 180.0 53.1 114.1 27.5 91 -2.1 98 -1.1 0 0.0 0 0.0 9 36
96 R 288 GLU E H H < 3 TS+ 0 0 -62.0 -13.5 179.7 74.5 95.3 49.6 92 -3.0 0 0.0 0 0.0 0 0.0 7 24
97 R 289 LYS K T h < 3 T 0 0 -87.6 25.7 179.8 999.9 999.9 87.9 93 -0.9 0 0.0 0 0.0 0 0.0 5 19
98!R 290 ILE I t < T 0 0 -136.0 999.9 999.9 999.9 999.9 163.7 95 -1.1 0 0.0 0 0.0 0 0.0 4 19
99!R 297 PRO P 0 0 999.9 70.3 -179.2 999.9 999.9 999.9 0 0.0 40 -0.6 0 0.0 0 0.0 6 25
100 R 298 GLN Q + 0 0 -87.4 -26.8 -179.4 41.8 999.9 42.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21
101 R 299 THR T + 0 0 -130.6 128.7 179.8 169.9 59.7 169.0 0 0.0 0 0.0 0 0.0 0 0.0 5 32
102 R 300 MET M - 0 0 -137.9 127.6 177.7 -134.2 27.1 171.8 0 0.0 0 0.0 0 0.0 0 0.0 10 45
103 R 301 SER S - 0 0 -73.4 152.8 179.1 -94.9 41.8 116.6 0 0.0 0 0.0 0 0.0 0 0.0 9 55
104 R 302 GLY G - 0 0 -60.6 164.9 -179.9 -76.7 57.2 98.0 119 -3.1 0 0.0 0 0.0 0 0.0 11 60
105 R 303 PRO P - 0 0 -71.3 138.6 178.3 -163.9 41.5 116.7 0 0.0 107 -0.5 0 0.0 0 0.0 10 59
106 R 304 THR T - 0 0 -117.8 117.2 -179.7 -152.7 12.0 171.0 0 0.0 108 -0.9 0 0.0 0 0.0 10 62
107 R 305 LEU L - 0 0 -84.5 43.6 -178.7 -79.6 67.1 97.2 105 -0.5 0 0.0 0 0.0 0 0.0 10 55
108 R 306 GLY G S S S+ 0 0 72.6 6.6 -179.2 113.2 113.3 56.3 106 -0.9 0 0.0 0 0.0 0 0.0 4 44
109 R 307 LEU L + 0 0 -86.6 -8.6 -179.1 102.9 45.6 57.7 0 0.0 153 -0.6 0 0.0 0 0.0 11 48
110 R 308 ALA A - 0 0 -81.8 138.8 -179.0 -146.2 64.4 125.6 0 0.0 0 0.0 0 0.0 0 0.0 13 51
111 R 309 ARG R S S S+ 0 0 -67.4 -44.5 180.0 33.9 85.1 26.5 0 0.0 0 0.0 0 0.0 0 0.0 9 46
112 R 310 PHE F S S S- 0 0 -114.4 149.8 179.7 -100.9 95.2 149.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
113 R 311 ALA A t > > T - 0 0 -67.1 147.4 -178.8 -123.2 26.9 110.7 0 0.0 117 -2.9 0 0.0 116 -1.8 8 35
114 R 312 VAL V T T 4 3 TS+ 0 0 -64.5 -22.5 178.2 70.3 110.0 41.9 0 0.0 0 0.0 0 0.0 0 0.0 8 41
115 R 313 SER S T T 4 3 TS+ 0 0 -64.0 -24.5 178.6 26.2 115.1 40.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
116 R 314 SER S T T 4 < TS+ 0 0 -102.6 -45.9 -179.9 22.7 140.2 37.3 113 -1.8 0 0.0 0 0.0 0 0.0 6 29
117 R 315 ILE I S t < TS- 0 0 -124.7 86.0 -179.6 -160.9 84.3 144.3 113 -2.9 0 0.0 0 0.0 0 0.0 11 50
118 R 316 PRO P - 0 0 -71.2 155.1 -179.7 -140.5 9.6 106.9 0 0.0 120 -0.6 0 0.0 0 0.0 10 51
119 R 317 ILE I - 0 0 -120.4 105.5 179.1 -130.4 17.5 156.3 0 0.0 104 -3.1 0 0.0 0 0.0 13 55
120 R 318 ASN N - 0 0 -50.5 135.4 -176.5 -140.0 19.2 103.5 318 -1.6 0 0.0 118 -0.6 0 0.0 14 52
121 R 319 GLN Q S t > TS+ 0 0 -69.5 -55.9 -178.3 51.9 89.7 19.4 0 0.0 124 -1.7 0 0.0 0 0.0 10 51
122 R 320 GLN Q T T 3 TS+ 0 0 -60.7 -17.1 -180.0 42.3 116.4 50.0 0 0.0 0 0.0 0 0.0 0 0.0 6 47
123 R 321 THR T T e 3 TS+ 0 0 -112.6 7.8 -179.3 125.9 81.9 72.2 0 0.0 137 -2.8 0 0.0 0 0.0 10 54
124 R 322 GLN Q E E AA < T - 136 0 -71.0 128.4 179.6 -117.6 64.3 120.8 121 -1.7 0 0.0 0 0.0 0 0.0 15 62
125 R 323 VAL V E E A* - 0 0 -66.1 145.3 178.8 -170.8 32.4 110.7 135 -2.7 133 -2.2 0 0.0 0 0.0 10 65
126 R 324 LYS K E E AA - 132 0 -136.8 144.9 179.6 -123.0 18.2 169.8 0 0.0 0 0.0 0 0.0 0 0.0 10 56
127 R 325 LEU L e > T - 0 0 -81.3 173.2 -180.0 -91.2 39.9 105.6 131 -2.7 130 -2.9 0 0.0 0 0.0 11 49
128 R 326 SER S T T 3 TS+ 0 0 -52.8 -38.3 179.4 52.0 131.6 32.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
129 R 327 ASP D T T 3 TS- 0 0 -82.8 12.0 179.5 -109.9 123.2 74.3 0 0.0 52 -2.5 0 0.0 0 0.0 7 37
130 R 328 GLY G t < T + 0 0 73.9 7.4 179.3 153.1 65.5 55.6 127 -2.9 0 0.0 0 0.0 0 0.0 10 46
131 R 329 MET M e - 0 0 -71.4 129.0 179.9 -129.5 42.8 123.4 0 0.0 127 -2.7 0 0.0 0 0.0 9 59
132 R 330 PRO P E E AA - 126 0 -81.5 142.6 179.2 -160.2 22.3 126.2 0 0.0 0 0.0 0 0.0 0 0.0 13 63
133 R 331 VAL V E E A* - 0 0 -118.7 158.7 -179.5 -102.7 33.5 147.3 125 -2.2 135 -2.4 0 0.0 0 0.0 13 68
134 R 332 PRO P E E A* S+ 0 0 -80.0 62.6 -179.7 101.8 88.3 111.0 0 0.0 150 -0.6 0 0.0 0 0.0 12 67
135 R 333 VAL V E E A*B - 0 149 -145.4 145.2 -179.7 -152.8 55.1 173.0 133 -2.4 125 -2.7 0 0.0 0 0.0 11 78
136 R 334 ASN N E E AAB - 124 148 -121.8 146.4 177.0 -124.3 21.6 158.3 148 -2.7 148 -2.4 0 0.0 138 -1.2 14 70
137 R 335 THR T E E A B - 0 147 -90.7 97.0 179.7 -146.0 31.8 138.9 123 -2.8 0 0.0 0 0.0 0 0.0 15 62
138 R 336 LEU L E E A B - 0 146 -61.3 132.8 179.3 -172.5 21.5 114.0 146 -2.4 145 -3.6 136 -1.2 146 -1.1 14 64
139 R 337 THR T E E A B - 0 144 -136.0 140.6 178.2 -168.3 14.3 174.2 0 0.0 0 0.0 0 0.0 0 0.0 12 61
140 R 338 PHE F E E A B> TS- 0 143 -125.4 138.7 179.5 -3.1 76.9 169.3 143 -3.0 143 -2.7 0 0.0 0 0.0 11 48
141 R 339 ASP D T T 3 TS- 0 0 46.7 49.6 179.1 -54.2 133.1 23.8 0 0.0 0 0.0 0 0.0 0 0.0 7 34
142 R 340 GLY G T T 3 TS+ 0 0 67.4 1.9 -179.1 109.5 118.7 62.7 0 0.0 0 0.0 0 0.0 0 0.0 5 31
143 R 341 LYS K E E AB < TS- 140 0 -116.7 134.7 179.6 -115.9 72.7 157.3 140 -2.7 140 -3.0 0 0.0 0 0.0 7 44
144 R 342 PRO P E E AB + 139 0 -65.8 129.9 -178.2 174.6 32.4 115.3 0 0.0 0 0.0 0 0.0 0 0.0 11 54
145 R 343 VAL V E E A* - 0 0 -106.7 -37.4 -178.7 -27.0 55.1 38.9 138 -3.6 0 0.0 0 0.0 0 0.0 13 71
146 R 344 ALA A E E AB - 138 0 -172.5 163.6 177.8 -101.3 55.7 168.3 138 -1.1 138 -2.4 0 0.0 148 -0.8 12 71
147 R 345 LEU L E E ABc - 137 280 -99.1 109.2 -179.2 -171.5 44.0 153.2 279 -2.2 281 -2.5 0 0.0 0 0.0 12 79
148 R 346 ALA A E E ABc + 136 281 -108.2 134.0 178.9 148.2 15.5 152.2 136 -2.4 136 -2.7 146 -0.8 0 0.0 16 78
149 R 347 GLY G E E AB - 135 0 -151.6 170.8 177.9 -90.8 47.0 158.8 281 -1.6 0 0.0 0 0.0 0 0.0 14 79
150 R 348 SER S e - 0 0 -77.9 167.8 177.8 -69.0 68.3 110.4 134 -0.6 0 0.0 0 0.0 0 0.0 15 69
151 R 349 TYR Y S S S- 0 0 -57.1 130.7 -180.0 -92.6 71.8 112.1 284 -2.6 0 0.0 0 0.0 0 0.0 11 63
152 R 350 PRO P - 0 0 -49.3 137.9 179.7 -109.1 44.3 100.3 0 0.0 0 0.0 0 0.0 0 0.0 10 57
153 R 351 LYS K - 0 0 -68.1 145.6 -178.6 -110.0 31.6 114.1 109 -0.6 155 -1.9 0 0.0 0 0.0 10 44
154 R 352 ASN N S S S+ 0 0 -84.1 77.6 -177.9 107.9 79.2 119.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
155 R 353 THR T S h > TS- 0 0 -151.4 135.2 -179.9 -121.2 75.5 171.1 153 -1.9 159 -2.9 0 0.0 0 0.0 7 32
156 R 354 PRO P H H > TS+ 0 0 -47.5 -39.9 179.1 49.4 115.0 31.4 0 0.0 160 -2.3 0 0.0 0 0.0 8 32
157 R 355 ASP D H H > TS+ 0 0 -68.1 -46.1 -179.4 46.4 112.0 19.6 0 0.0 161 -2.5 0 0.0 0 0.0 9 38
158 R 356 ALA A H H > TS+ 0 0 -64.0 -40.5 -179.6 45.1 116.2 24.6 0 0.0 162 -2.3 0 0.0 0 0.0 12 45
159 R 357 LEU L H H X TS+ 0 0 -71.9 -37.6 178.0 53.1 111.0 25.9 155 -2.9 163 -2.8 0 0.0 0 0.0 12 52
160 R 358 GLU E H H X TS+ 0 0 -60.6 -43.7 -179.7 46.3 111.6 19.5 156 -2.3 164 -2.9 0 0.0 0 0.0 12 49
161 R 359 ALA A H H X TS+ 0 0 -64.5 -40.6 178.8 53.1 111.1 24.9 157 -2.5 165 -2.3 0 0.0 0 0.0 9 58
162 R 360 HIS H H H X TS+ 0 0 -58.0 -53.0 -178.5 41.3 113.9 16.9 158 -2.3 166 -1.9 0 0.0 0 0.0 10 74
163 R 361 MET M H H X TS+ 0 0 -64.5 -44.1 179.1 55.1 111.2 24.5 159 -2.8 167 -2.6 0 0.0 0 0.0 12 74
164 R 362 LYS K H H X TS+ 0 0 -53.7 -44.8 180.0 49.3 110.0 22.6 160 -2.9 168 -3.2 0 0.0 0 0.0 10 55
165 R 363 MET M H H X TS+ 0 0 -61.0 -42.9 -179.7 53.2 107.7 27.8 161 -2.3 169 -2.8 0 0.0 0 0.0 11 64
166 R 364 LEU L H H X >TS+ 0 0 -58.7 -49.1 -179.6 40.3 115.5 17.3 162 -1.9 171 -1.3 0 0.0 170 -0.6 10 66
167 R 365 LEU L H H < 5TS+ 0 0 -67.7 -45.4 -179.5 42.9 120.1 24.0 163 -2.6 0 0.0 0 0.0 0 0.0 11 53
168 R 366 GLU E H H < 5TS+ 0 0 -69.2 -45.6 -179.9 41.5 118.9 22.8 164 -3.2 0 0.0 0 0.0 0 0.0 8 49
169 R 367 LYS K H H < 5TS- 0 0 -78.1 -6.6 -179.7 -141.7 100.5 54.3 165 -2.8 277 -1.7 0 0.0 0 0.0 9 60
170 R 368 GLU E T h < 5T - 0 0 43.3 63.8 -179.8 -151.4 20.4 20.1 166 -0.6 277 -0.9 0 0.0 0 0.0 12 51
171 R 369 CYS C t T - 0 0 -74.3 166.2 179.9 -107.3 22.0 103.3 0 0.0 183 -2.7 0 0.0 0 0.0 11 44
180 R 378 GLU E H H > TS+ 0 0 -61.1 -37.0 179.5 52.2 122.6 27.9 0 0.0 184 -1.9 0 0.0 0 0.0 7 34
181 R 379 ASP D H H 4 TS+ 0 0 -67.9 -36.8 179.9 45.2 110.9 30.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25
182 R 380 GLN Q H H > > TS+ 0 0 -74.0 -39.3 178.2 51.3 112.2 27.1 0 0.0 186 -1.4 0 0.0 185 -1.4 10 30
183 R 381 MET M H H < 3>TS+ 0 0 -61.7 -38.4 180.0 49.5 111.6 29.5 179 -2.7 188 -2.1 0 0.0 0 0.0 12 34
184 R 382 GLN Q T h < 35TS+ 0 0 -92.0 32.4 179.5 49.0 111.7 95.4 180 -1.9 0 0.0 0 0.0 0 0.0 8 23
185 R 383 ALA A T T 4 <5TS+ 0 0 -139.1 -23.6 179.5 30.7 120.1 63.5 182 -1.4 0 0.0 0 0.0 0 0.0 7 18
186 R 384 LYS K T T < 5TS- 0 0 -119.7 6.8 -180.0 -118.1 108.4 78.2 182 -1.4 0 0.0 0 0.0 0 0.0 6 24
187 R 385 GLN Q T T 5T - 0 0 52.8 58.1 178.6 -178.2 43.0 18.0 0 0.0 0 0.0 0 0.0 0 0.0 7 23
188 R 386 LEU L t > T + 0 0 -78.0 57.3 -177.2 153.0 46.9 106.4 0 0.0 193 -1.9 0 0.0 194 -0.7 7 51
191 R 389 TYR Y T T 4 3 T + 0 0 -63.2 -15.9 -178.6 60.7 62.4 52.1 189 -2.8 0 0.0 0 0.0 0 0.0 7 59
192 R 390 PHE F T T 4 3 TS+ 0 0 -96.5 8.4 -179.3 62.8 97.4 71.8 0 0.0 0 0.0 0 0.0 0 0.0 8 60
193 R 391 ARG R T T 4 < TS+ 0 0 -98.6 -62.5 -178.8 8.5 102.9 24.4 190 -1.9 0 0.0 0 0.0 0 0.0 10 45
194 R 392 GLY G S e < TS- 0 0 -98.7 -138.1 -179.9 -58.8 91.6 74.3 190 -0.7 205 -1.9 0 0.0 0 0.0 10 31
195 R 393 SER S E E AF + 204 0 -114.2 129.4 179.5 162.4 55.1 163.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
196 R 394 TYR Y E E AF - 203 0 -143.8 155.6 176.1 -142.1 31.7 166.0 203 -1.8 203 -2.6 0 0.0 198 -0.5 8 33
197 R 395 THR T E E AF - 202 0 -122.1 112.3 179.4 -178.5 17.3 166.6 0 0.0 199 -0.7 0 0.0 0 0.0 8 35
198 R 396 PHE F E E AF > T - 201 0 -111.9 89.9 179.9 -68.4 60.3 146.9 201 -2.5 201 -1.6 196 -0.5 0 0.0 12 38
199 R 397 GLY G T T 3 TS- 0 0 70.4 -121.5 -179.5 -6.2 116.8 119.6 197 -0.7 0 0.0 0 0.0 0 0.0 8 28
200 R 398 GLU E T T 3 TS+ 0 0 -87.5 -3.3 -178.9 80.8 123.8 62.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
201 R 399 VAL V E E AF < T - 198 0 -111.8 134.0 178.1 -163.7 60.1 153.8 198 -1.6 198 -2.5 0 0.0 0 0.0 13 40
202 R 400 HIS H E E AFG - 197 225 -111.4 144.9 179.0 -164.1 6.5 151.9 225 -3.3 225 -2.6 0 0.0 0 0.0 12 41
203 R 401 THR T E E AFG + 196 224 -132.1 134.1 177.0 179.5 11.4 173.6 196 -2.6 196 -1.8 0 0.0 0 0.0 14 46
204 R 402 ASN N E E AFG - 195 223 -133.5 112.7 -178.4 -177.6 8.6 160.1 223 -2.2 223 -3.3 0 0.0 206 -0.5 11 40
205 R 403 SER S E E A G - 0 222 -117.8 117.0 178.8 -171.5 3.9 159.5 194 -1.9 0 0.0 0 0.0 0 0.0 12 42
206 R 404 GLN Q E E A G - 0 221 -108.7 130.1 179.5 -117.1 27.7 155.0 221 -1.9 221 -1.6 204 -0.5 0 0.0 9 32
207 R 405 LYS K E E A G - 0 220 -59.5 146.1 179.2 -133.8 18.1 104.9 0 0.0 209 -0.9 0 0.0 0 0.0 10 34
208 R 406 VAL V e > > T - 0 0 -106.5 85.8 -178.6 -169.0 19.1 141.6 219 -3.2 211 -1.8 0 0.0 212 -0.9 10 31
209 R 407 SER S G G 4 > TS+ 0 0 -41.1 -46.5 -179.5 60.5 81.7 34.9 207 -0.9 212 -1.0 0 0.0 0 0.0 7 22
210 R 408 SER S G G 4 3 TS+ 0 0 -54.7 -37.0 -179.1 32.2 116.0 33.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
211 R 409 ALA A G G 4 < TS+ 0 0 -103.5 3.3 -179.9 61.2 113.1 68.6 208 -1.8 0 0.0 0 0.0 0 0.0 9 28
212 R 410 SER S S g < < TS+ 0 0 -111.7 12.2 -178.9 92.4 77.0 77.4 209 -1.0 0 0.0 208 -0.9 0 0.0 11 30
213 R 411 GLN Q + 0 0 -72.4 -43.1 179.9 95.3 61.8 25.6 0 0.0 0 0.0 0 0.0 0 0.0 8 19
214 R 412 GLY G S t > TS- 0 0 -49.2 148.4 179.7 -117.1 86.1 94.3 0 0.0 216 -1.6 0 0.0 217 -0.5 7 22
215 R 413 GLU E T T 3 TS+ 0 0 -88.3 66.8 -179.3 40.6 106.2 120.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
216 R 414 ALA A T e 3 TS+ 0 0 -178.5 -26.3 -178.9 50.8 106.6 75.2 214 -1.6 239 -2.2 0 0.0 240 -0.8 7 41
217 R 415 ILE I E E A H< T - 0 238 -139.6 138.3 176.4 -166.9 46.7 172.9 214 -0.5 0 0.0 0 0.0 0 0.0 13 46
218 R 416 ASP D E E A H - 0 237 -117.5 124.1 179.4 -163.6 18.8 171.2 237 -2.4 237 -3.1 0 0.0 0 0.0 14 43
219 R 417 GLN Q E E A H - 0 236 -113.3 138.3 179.9 -178.5 8.5 157.3 0 0.0 208 -3.2 0 0.0 0 0.0 13 51
220 R 418 TYR Y E E AGH - 207 235 -125.1 171.8 176.5 -131.3 26.6 139.5 235 -2.2 235 -2.2 0 0.0 0 0.0 13 46
221 R 419 ASN N E E AGH - 206 234 -126.3 113.9 -176.5 -157.6 27.0 169.2 206 -1.6 206 -1.9 0 0.0 223 -0.6 12 45
222 R 420 MET M E E AGH - 205 233 -102.9 116.2 179.9 -162.0 5.4 147.8 233 -1.9 233 -2.5 0 0.0 224 -0.7 13 51
223 R 421 GLN Q E E AGH - 204 232 -99.9 113.4 179.2 -167.7 9.3 148.0 204 -3.3 204 -2.2 221 -0.6 0 0.0 11 45
224 R 422 LEU L E E AGH - 203 231 -99.4 140.3 -179.8 -170.8 3.0 143.0 231 -3.1 231 -1.9 222 -0.7 0 0.0 14 47
225 R 423 SER S E E AGH + 202 230 -133.6 138.5 -179.8 161.6 14.5 174.8 202 -2.6 202 -3.3 0 0.0 0 0.0 11 37
226 R 424 CYS C E E A H> T - 0 229 -159.4 106.4 -178.0 -51.1 65.9 143.0 229 -2.4 229 -2.2 0 0.0 0 0.0 9 35
227 R 425 GLY G T T 3 TS- 0 0 62.7 -130.0 179.4 -17.5 122.6 114.5 0 0.0 0 0.0 0 0.0 0 0.0 6 20
228 R 426 GLU E T T 3 TS+ 0 0 -85.1 -3.6 -178.1 98.3 120.7 60.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
229 R 427 LYS K E E A H< T + 0 226 -92.9 143.6 179.4 176.1 46.4 129.5 226 -2.2 226 -2.4 0 0.0 0 0.0 6 25
230 R 428 ARG R E E A H + 0 225 -138.7 152.6 179.7 171.2 1.6 164.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
231 R 429 TYR Y E E A H - 0 224 -168.8 128.3 180.0 -151.7 18.9 147.2 224 -1.9 224 -3.1 0 0.0 233 -0.5 9 38
232 R 430 THR T E E A H - 0 223 -107.1 123.7 -178.8 -176.7 15.8 155.0 0 0.0 0 0.0 0 0.0 0 0.0 8 48
233 R 431 ILE I E E A H - 0 222 -123.6 126.0 179.8 -124.7 24.8 166.8 222 -2.5 222 -1.9 231 -0.5 0 0.0 13 57
234 R 432 PRO P E E A H - 0 221 -67.2 150.2 -179.3 -148.2 24.6 110.8 0 0.0 174 -2.7 0 0.0 0 0.0 13 54
235 R 433 VAL V E E AeH - 174 220 -124.4 133.8 178.0 -163.3 9.4 167.5 220 -2.2 220 -2.2 0 0.0 237 -0.5 13 62
236 R 434 LEU L E E AeH - 175 219 -118.5 113.5 -179.9 -170.4 6.1 163.5 174 -3.2 176 -2.0 0 0.0 238 -0.6 13 63
237 R 435 HIS H E E AeH - 176 218 -107.4 113.9 179.9 -154.9 9.1 155.6 218 -3.1 218 -2.4 235 -0.5 0 0.0 11 65
238 R 436 VAL V E E A H + 0 217 -88.4 127.6 -178.7 177.0 15.2 138.7 176 -2.6 0 0.0 236 -0.6 0 0.0 13 58
239 R 437 LYS K e + 0 0 -105.3 -16.9 -178.0 57.9 69.4 50.1 216 -2.2 0 0.0 0 0.0 0 0.0 11 45
240 R 438 ASN N S S S+ 0 0 -104.4 25.0 -179.9 103.0 74.0 85.8 216 -0.8 0 0.0 0 0.0 0 0.0 8 39
241 R 439 TRP W - 0 0 -111.2 93.5 180.0 -151.8 59.8 143.0 0 0.0 0 0.0 0 0.0 0 0.0 12 47
242 R 440 PRO P t > T - 0 0 -63.3 135.7 -179.0 -102.8 29.0 111.1 0 0.0 245 -1.3 0 0.0 0 0.0 9 38
243 R 441 ASP D T T 3 TS+ 0 0 -59.3 149.8 180.0 18.4 102.9 100.7 0 0.0 0 0.0 0 0.0 0 0.0 6 44
244 R 442 HIS H T T 3 TS+ 0 0 63.9 15.2 179.9 87.3 115.5 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 36
245 R 443 GLN Q S t < TS- 0 0 -141.7 160.9 179.4 -110.2 77.2 162.6 242 -1.3 0 0.0 0 0.0 0 0.0 10 39
246 R 444 PRO P - 0 0 -82.9 170.8 178.2 -82.7 49.6 109.7 0 0.0 0 0.0 0 0.0 0 0.0 11 47
247 R 445 LEU L - 0 0 -70.1 154.1 179.9 -102.3 46.9 112.8 0 0.0 0 0.0 0 0.0 0 0.0 11 46
248 R 446 PRO P S S S+ 0 0 -43.2 -44.6 179.7 14.1 103.0 33.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
249 R 447 SER S S h > > TS- 0 0 -137.7 153.9 179.6 -121.9 71.6 165.3 0 0.0 253 -1.0 0 0.0 252 -0.9 7 31
250 R 448 THR T H H > 3 TS+ 0 0 -60.9 -29.1 -179.6 62.3 113.1 35.8 0 0.0 254 -2.0 0 0.0 0 0.0 11 38
251 R 449 ASP D H H > 3 TS+ 0 0 -67.8 -31.3 179.1 56.1 96.9 35.6 0 0.0 255 -2.4 0 0.0 0 0.0 7 35
252 R 450 GLN Q H H > < TS+ 0 0 -70.5 -31.7 178.9 50.9 106.2 34.4 249 -0.9 256 -2.5 0 0.0 0 0.0 9 43
253 R 451 LEU L H H X TS+ 0 0 -68.6 -51.2 179.4 45.6 112.2 14.6 249 -1.0 257 -3.1 0 0.0 0 0.0 12 53
254 R 452 GLU E H H X TS+ 0 0 -56.4 -42.5 179.0 50.0 113.9 25.7 250 -2.0 258 -2.3 0 0.0 0 0.0 10 47
255 R 453 TYR Y H H X TS+ 0 0 -61.1 -46.3 179.6 50.1 110.3 21.9 251 -2.4 259 -2.5 0 0.0 0 0.0 8 48
256 R 454 LEU L H H X TS+ 0 0 -56.7 -48.5 179.5 51.1 109.7 20.7 252 -2.5 260 -1.9 0 0.0 0 0.0 9 58
257 R 455 ALA A H H X TS+ 0 0 -57.1 -41.6 179.6 50.9 110.0 28.5 253 -3.1 261 -2.0 0 0.0 0 0.0 12 59
258 R 456 ASP D H H X TS+ 0 0 -62.7 -54.8 -179.0 47.1 109.3 15.7 254 -2.3 262 -2.8 0 0.0 0 0.0 9 43
259 R 457 ARG R H H < TS+ 0 0 -59.6 -30.4 178.7 51.1 112.5 36.1 255 -2.5 0 0.0 0 0.0 0 0.0 8 49
260 R 458 VAL V H H < > TS+ 0 0 -71.9 -42.0 179.9 42.8 114.8 23.9 256 -1.9 263 -0.5 0 0.0 0 0.0 12 55
261 R 459 LYS K H H < 3 TS+ 0 0 -72.5 -28.7 179.9 55.5 113.2 37.1 257 -2.0 263 -0.6 0 0.0 0 0.0 9 42
262 R 460 ASN N T h < 3 TS+ 0 0 -103.3 59.3 179.1 69.4 92.7 116.0 258 -2.8 0 0.0 0 0.0 0 0.0 7 35
263 R 461 SER S S t < TS- 0 0 -144.9 -14.2 178.1 -25.8 124.7 66.8 261 -0.6 0 0.0 260 -0.5 0 0.0 9 40
264 R 462 ASN N + 0 0 -163.4 -63.7 179.0 172.3 61.1 85.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
265 R 463 GLN Q + 0 0 44.5 26.0 179.2 142.9 34.6 47.0 0 0.0 0 0.0 0 0.0 0 0.0 9 40
266 R 464 ASN N + 0 0 -77.6 -164.5 -178.0 100.4 11.9 88.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
267 R 465 GLY G - 0 0 95.8 136.3 -178.2 -99.2 70.0 76.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
268 R 466 ALA A t > T - 0 0 -97.8 134.3 179.7 -104.0 37.4 139.8 0 0.0 271 -1.9 0 0.0 0 0.0 5 22
269 R 467 PRO P T T 3 TS+ 0 0 -50.8 140.8 179.3 5.9 104.3 99.4 0 0.0 0 0.0 0 0.0 0 0.0 4 19
270 R 468 GLY G T T 3 TS+ 0 0 56.8 20.7 179.7 171.6 91.2 47.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
271 R 469 ARG R t < T - 0 0 -62.6 144.9 179.6 -128.6 41.4 106.6 268 -1.9 0 0.0 0 0.0 0 0.0 7 19
272 R 470 SER S S S S+ 0 0 -61.2 -38.8 178.4 55.8 109.8 31.3 0 0.0 274 -1.3 0 0.0 0 0.0 4 15
273 R 471 SER S t > T + 0 0 -94.4 65.9 -179.7 161.2 66.1 124.3 0 0.0 276 -2.2 0 0.0 0 0.0 5 31
274 R 472 SER S T T 3 T + 0 0 -63.6 -5.5 -179.8 75.0 65.9 56.3 272 -1.3 0 0.0 0 0.0 0 0.0 9 36
275 R 473 ASP D T T 3 TS+ 0 0 -82.0 -14.8 -177.4 77.5 85.4 54.6 0 0.0 0 0.0 0 0.0 0 0.0 8 47
276 R 474 LYS K S t < TS+ 0 0 -103.2 158.4 178.6 26.3 83.0 128.3 273 -2.2 0 0.0 0 0.0 0 0.0 9 47
277 R 475 HIS H S S S+ 0 0 64.1 37.5 178.2 130.9 84.7 30.1 169 -1.7 0 0.0 170 -0.9 0 0.0 12 48
278 R 476 LEU L - 0 0 -116.5 151.3 179.8 -100.6 64.8 150.8 0 0.0 0 0.0 0 0.0 0 0.0 15 62
279 R 477 PRO P e - 0 0 -74.5 142.8 179.3 -138.2 28.3 120.2 0 0.0 147 -2.2 0 0.0 281 -0.6 13 69
280 R 478 MET M E E Acd - 147 174 -99.2 120.2 -178.1 -170.4 27.5 154.6 173 -2.8 175 -2.6 0 0.0 0 0.0 14 77
281 R 479 ILE I E E Acd + 148 175 -119.1 141.6 175.9 159.5 13.2 156.8 147 -2.5 149 -1.6 279 -0.6 0 0.0 16 72
282 R 480 HIS H E E A d + 0 176 -159.6 143.5 176.3 167.5 14.9 165.7 175 -2.2 177 -2.4 0 0.0 0 0.0 16 72
283 R 481 CYS C S S S- 0 0 -118.8 -129.8 178.4 -61.8 72.5 88.5 0 0.0 0 0.0 0 0.0 0 0.0 14 67
284 R 482 LEU L S S S+ 0 0 -88.1 -59.4 176.9 23.9 130.4 23.3 0 0.0 151 -2.6 0 0.0 0 0.0 8 58
285 R 483 GLY G S S S- 0 0 -97.2 147.4 180.0 -122.0 90.1 141.2 0 0.0 287 -1.3 0 0.0 0 0.0 12 57
286 R 484 GLY G S S S+ 0 0 -84.5 51.7 -177.4 62.9 96.9 100.6 0 0.0 0 0.0 0 0.0 0 0.0 16 67
287 R 485 VAL V S h > TS+ 0 0 -137.1 -45.5 -177.8 45.5 88.9 48.3 285 -1.3 323 -2.3 0 0.0 291 -0.5 15 68
288 R 486 GLY G H H > TS+ 0 0 -72.8 -93.1 -179.9 10.5 125.0 18.8 0 0.0 292 -1.8 0 0.0 0 0.0 14 55
289 R 487 ARG R H H > TS+ 0 0 -56.4 -38.4 178.7 60.3 128.5 27.6 0 0.0 293 -2.9 0 0.0 0 0.0 16 65
290 R 488 THR T H H > TS+ 0 0 -54.6 -46.4 180.0 48.9 104.5 21.3 0 0.0 294 -2.3 0 0.0 0 0.0 16 74
291 R 489 GLY G H H X TS+ 0 0 -60.2 -42.7 179.7 48.4 112.0 25.7 287 -0.5 295 -2.4 0 0.0 0 0.0 13 75
292 R 490 THR T H H X TS+ 0 0 -62.5 -51.8 179.4 51.4 109.3 19.2 288 -1.8 296 -3.1 0 0.0 0 0.0 12 83
293 R 491 MET M H H X TS+ 0 0 -51.9 -48.6 180.0 46.2 112.9 23.0 289 -2.9 297 -1.3 0 0.0 0 0.0 12 81
294 R 492 ALA A H H X > TS+ 0 0 -61.6 -45.1 -179.5 51.2 111.6 22.4 290 -2.3 298 -1.2 0 0.0 297 -0.5 11 82
295 R 493 ALA A H H X > TS+ 0 0 -59.2 -40.5 -179.5 56.0 105.9 24.8 291 -2.4 299 -1.9 0 0.0 298 -0.7 12 77
296 R 494 ALA A H H X 3 TS+ 0 0 -61.5 -32.4 179.6 53.4 104.2 35.0 292 -3.1 300 -1.3 0 0.0 0 0.0 13 67
297 R 495 LEU L H H X < TS+ 0 0 -73.8 -25.6 179.7 55.7 105.1 40.9 293 -1.3 301 -1.7 294 -0.5 0 0.0 11 64
298 R 496 VAL V H H X < TS+ 0 0 -72.1 -43.5 179.6 49.6 105.9 24.2 294 -1.2 302 -2.7 295 -0.7 0 0.0 11 58
299 R 497 LEU L H H < TS+ 0 0 -64.0 -34.4 179.7 51.7 110.2 31.2 295 -1.9 0 0.0 0 0.0 0 0.0 12 50
300 R 498 LYS K H H < TS+ 0 0 -70.3 -40.1 178.5 45.8 111.3 25.2 296 -1.3 0 0.0 0 0.0 0 0.0 10 44
301 R 499 ASP D H H < TS+ 0 0 -67.0 -40.3 179.8 1.6 140.5 22.9 297 -1.7 0 0.0 0 0.0 0 0.0 6 43
302 R 500 ASN N h < > T - 0 0 -153.1 101.0 179.8 -160.7 63.0 140.0 298 -2.7 304 -1.7 0 0.0 305 -1.6 7 33
303 R 501 PRO P T T 3 TS+ 0 0 -82.7 84.2 -178.6 61.7 87.1 129.4 0 0.0 0 0.0 0 0.0 0 0.0 10 31
304 R 502 HIS H T T 3 TS+ 0 0 -174.4 -29.4 179.6 131.9 71.1 87.0 302 -1.7 0 0.0 0 0.0 0 0.0 7 27
305 R 503 SER S t < T - 0 0 -40.4 138.0 179.1 -111.5 67.8 90.2 302 -1.6 307 -1.0 0 0.0 0 0.0 9 37
306 R 504 ASN N h > > T - 0 0 -81.0 103.3 -179.5 -157.4 23.5 132.9 0 0.0 310 -2.4 0 0.0 309 -1.3 6 36
307 R 505 LEU L H H > 3 TS+ 0 0 -53.6 -25.0 178.0 56.5 93.2 43.5 305 -1.0 311 -2.1 0 0.0 0 0.0 9 45
308 R 506 GLU E H H > 3 TS+ 0 0 -76.0 -31.3 179.0 44.5 109.9 32.4 0 0.0 312 -2.0 0 0.0 0 0.0 6 38
309 R 507 GLN Q H H > < TS+ 0 0 -78.3 -34.3 177.5 56.0 110.1 35.2 306 -1.3 313 -2.9 0 0.0 0 0.0 10 38
310 R 508 VAL V H H X TS+ 0 0 -58.3 -57.9 -179.7 44.6 110.8 7.7 306 -2.4 314 -2.7 0 0.0 0 0.0 12 52
311 R 509 ARG R H H X TS+ 0 0 -52.9 -47.9 -179.8 47.0 115.2 25.6 307 -2.1 315 -1.9 0 0.0 0 0.0 11 52
312 R 510 ALA A H H X TS+ 0 0 -64.2 -39.4 179.6 47.5 114.0 27.1 308 -2.0 316 -1.5 0 0.0 0 0.0 8 36
313 R 511 ASP D H H X TS+ 0 0 -71.4 -32.4 177.2 52.4 110.2 34.0 309 -2.9 317 -1.3 0 0.0 0 0.0 12 42
314 R 512 PHE F H H X >TS+ 0 0 -69.3 -34.5 -179.7 51.8 108.9 31.6 310 -2.7 319 -0.7 0 0.0 318 -0.5 14 58
315 R 513 ARG R H H < 5TS+ 0 0 -72.4 -31.2 177.8 49.0 108.6 32.0 311 -1.9 0 0.0 0 0.0 0 0.0 11 55
316 R 514 ASP D H H < 5TS+ 0 0 -76.4 -26.3 -178.6 47.5 114.1 38.6 312 -1.5 0 0.0 0 0.0 0 0.0 9 46
317 R 515 SER S H H < 5TS- 0 0 -98.8 4.5 174.9 -2.4 136.4 67.2 313 -1.3 0 0.0 0 0.0 0 0.0 13 50
318 R 516 ARG R T h < 5TS- 0 0 -148.7 -80.1 178.0 -48.2 114.6 85.1 314 -0.5 120 -1.6 0 0.0 0 0.0 16 65
319 R 517 ASN N t > T + 0 0 -88.6 -8.6 179.6 124.2 67.6 56.5 0 0.0 324 -1.6 0 0.0 0 0.0 9 48
322 R 520 MET M T T < TS+ 0 0 -53.8 133.0 179.1 1.7 86.7 105.1 319 -1.8 0 0.0 0 0.0 0 0.0 14 60
323 R 521 LEU L T T 3 TS+ 0 0 58.3 33.5 176.9 159.3 86.9 35.0 287 -2.3 0 0.0 0 0.0 0 0.0 14 56
324 R 522 GLU E t < T + 0 0 -73.2 171.2 -179.9 69.7 40.7 110.2 321 -1.6 0 0.0 0 0.0 0 0.0 7 44
325 R 523 ASP D h > > T - 0 0 81.2 100.5 -179.9 -140.1 69.7 32.4 0 0.0 329 -1.1 0 0.0 328 -0.5 9 33
326 R 524 ALA A H H > 3 TS+ 0 0 -56.6 -42.0 -179.8 74.3 93.8 30.2 0 0.0 330 -2.4 0 0.0 0 0.0 7 27
327 R 525 SER S H H > 3 TS+ 0 0 -37.5 -58.4 -178.8 39.2 102.1 28.8 0 0.0 331 -1.1 0 0.0 0 0.0 8 33
328 R 526 GLN Q H H > < TS+ 0 0 -66.6 -38.2 -179.9 56.8 111.0 30.6 325 -0.5 332 -1.7 0 0.0 0 0.0 13 46
329 R 527 PHE F H H X TS+ 0 0 -62.9 -36.7 179.4 55.0 104.3 28.4 325 -1.1 333 -2.3 0 0.0 0 0.0 10 49
330 R 528 VAL V H H X TS+ 0 0 -64.1 -37.1 -179.9 52.0 105.4 29.0 326 -2.4 334 -2.3 0 0.0 0 0.0 8 38
331 R 529 GLN Q H H X TS+ 0 0 -67.9 -34.9 178.7 54.3 106.6 29.5 327 -1.1 335 -2.8 0 0.0 0 0.0 10 46
332 R 530 LEU L H H X TS+ 0 0 -61.6 -49.7 179.7 50.1 107.2 15.7 328 -1.7 336 -3.2 0 0.0 0 0.0 13 55
333 R 531 LYS K H H X TS+ 0 0 -53.7 -47.0 179.1 49.1 111.1 20.3 329 -2.3 337 -2.5 0 0.0 0 0.0 9 45
334 R 532 ALA A H H X TS+ 0 0 -58.1 -44.0 -179.7 50.8 111.3 22.5 330 -2.3 338 -1.9 0 0.0 0 0.0 9 38
335 R 533 MET M H H X TS+ 0 0 -59.0 -50.0 179.7 49.4 108.9 21.4 331 -2.8 339 -2.2 0 0.0 0 0.0 13 43
336 R 534 GLN Q H H X TS+ 0 0 -56.6 -42.7 -179.9 58.6 106.3 25.4 332 -3.2 340 -2.5 0 0.0 0 0.0 11 41
337 R 535 ALA A H H X TS+ 0 0 -53.5 -50.2 179.3 44.4 108.1 22.0 333 -2.5 341 -2.6 0 0.0 0 0.0 8 28
338 R 536 GLN Q H H < TS+ 0 0 -62.4 -42.2 -179.8 51.1 113.1 26.1 334 -1.9 0 0.0 0 0.0 0 0.0 7 28
339 R 537 LEU L H H < TS+ 0 0 -65.2 -32.1 179.5 45.7 113.4 32.3 335 -2.2 0 0.0 0 0.0 0 0.0 9 31
340 R 538 LEU L H H < T 0 0 -76.8 -37.1 179.3 999.9 999.9 30.9 336 -2.5 0 0.0 0 0.0 0 0.0 7 23
341 R 539 MET M h < T 0 0 -62.0 999.9 999.9 999.9 999.9 8.9 337 -2.6 0 0.0 0 0.0 0 0.0 4 16
1g4wR.pdb
1G4W SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHTTHHHHHS SGGG HHHHHHHHHHH HHHHHHHHHHTS SSSS GGG HHHHH HHHHHHHHHHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality +++++++++++++++++--+++ ++++++++++ +++++++++++-+--+--++ ++++ -++++++++++++++++++++++++++ + chirality
bends SSSSSSSSSSSSSSSS SSS SSSSSSSSS SSSSSSSSSSS SSSS SS SSS SSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >>3<< >33< >>3<< >>3<< >>><<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>><<>X>4<<< >>4>XX>XX<<<<>>>>XXXX<<<< >444<>>>4<<< >>>4XXX>XXXXXXXX<>XX<<<< 4-turns
summary hHHHHHHHHHhhHHHHHh gGGGghHHHHHHHHHHHhhHHHHHHHHHHht SSSSgGGGghHHHHHh hHHHHHHHHHHHHHHHHHHHHHHHHHHht summary
sequence LLDIALKGLKRTLPQLEQMDGNSLRPLRSLMTNLQNLNKQLNDYVTTLTNIQVGVARFSQWEVERWVDASTHELTQAVKKIHVIAKELKNVTAELEKIPQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S SS TTTS STTEEE TT EEEEEEEEETTEEEEEEE S SSHHHHHHHHHHHHHHT S EEE HHHHTTTT TTTSEEEETT Kabs/Sand
chirality +------++-+--+++----+++----+-+---+-------+-+---+-----+-+++++++++++++-------++--++++++----++++-+----+ chirality
bends S SS SSSS SSS SS S SSSS S SSSSSSSSSSSSSSSS S SSSSSSS SSS SS bends
turns TTTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTTTT TTTTT TTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33 3-turns
bridge-2 BBBBBB cc eee bridge-2
bridge-1 A*A A***A BB*BBBB ddd FFFF bridge-1
sheets AAA AAAAAAAAA AAAAAAA AAA AAAA sheets
4-turns >444< >>>>XXXXXXXX<<<< >>4><<4< >444< 4-turns
summary S SStTTTt tTeEEEeTTteEEEEEEEEETTEEEEEEEeS ShHHHHHHHHHHHHHHhtSeEEEe hHHHHhTTTt tTTTeEEEETT summary
sequence TMSGPTLGLARFAVSSIPINQQTQVKLSDGMPVPVNTLTFDGKPVALAGSYPKNTPDALEAHMKMLLEKECSCLVVLTSEDQMQAKQLPPYFRGSYTFGE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEE GGGS STTEEEEEEEEEETTEEEEEEEEEE S TTS SSHHHHHHHHHHHHTS TT S TTSS EEESSSSSHHHHHHHHHHHHH Kabs/Sand
chirality --+-----+++++-++--------+--+++-------+++--++---+-+++++++++++++-+++--++-++++++---++-+-+++++++++++++++ chirality
bends SSSS SSS SS S SSS SSSSSSSSSSSSSSSS SS S SSS SSSSSSSSSSSSSSSSSS bends
turns T TTTTT TTTT TTTT TTTT TTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns < >>3<< >33< >33< >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 GGGGGG HHHHHHHHHH HHHHHHHHHH ddd bridge-2
bridge-1 FFFF GGGGGG eee cc bridge-1
sheets AAAAAAA AAAAAAAAAA AAAAAAAAAA AAA sheets
4-turns >444< >>>>XXXXXX<<<< >>>>XXXXXXXX<< 4-turns
summary EEEEEEEeGGGg tTeEEEEEEEEEETTEEEEEEEEEEeS tTTt ShHHHHHHHHHHHHht tTTtStTTtS eEEESSSShHHHHHHHHHHHHH summary
sequence VHTNSQKVSSASQGEAIDQYNMQLSCGEKRYTIPVLHVKNWPDHQPLPSTDQLEYLADRVKNSNQNGAPGRSSSDKHLPMIHCLGGVGRTGTMAAALVLK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand H TT HHHHHHHHHHHT TTTT HHHHHHHHHHHHHHH Kabs/Sand
chirality +-++--++++++++++---+++++-++++++++++++++ chirality
bends S SS SSSSSSSSSSSS S SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33<>33< >3><3<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns << >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary HhTTthHHHHHHHHHHHhtTTTTthHHHHHHHHHHHHHHHh summary
sequence DNPHSNLEQVRADFRDSRNNRMLEDASQFVQLKAMQAQLLM sequence
310 320 330 340
Messages
chain break between 25(R 195 ) and 26(R 207 )
chain break between 38(R 219 ) and 39(R 225 )
chain break between 61(R 247 ) and 62(R 253 )
chain break between 68(R 259 ) and 69(R 261 )
chain break between 98(R 290 ) and 99(R 297 )