| Chain sequence(s) |
A: IWELKKDVYVVELDWYPDAPGEMVVLTCDTPEEDGITWTLDQSSEVLGSGKTLTIQVKEFGDAGQYTCHKGGEVLSHSLLLLHKKEDGIWSTDILKDQKEPKNKTFLRCEAKNYSGRFTCWWLTTISTDLTFSVKSSRGSSDPQGVTCGAATLSAERVRGDNKEYEYSVECQEDSACPAAEESLPIEVMVDAVHKLKYENYTSSFFIRDIIKPDPPKNLQLKPLKNSRQVEVSWEYPDTWSTPHSYFSLTFCVQVQKDRVFTDKTSATVICRSISVRAQDRYYSSSWSEWASVPC
H: EVQLVQSGAEVKKPGESLKISCKGSGYSFTTYWLGWVRQMPGKGLDWIGIMSPVDSDIRYSPSFQGQVTMSVDKSITTAYLQWNSLKASDTAMYYCARRRPGQGYFDFWGQGTLVTVSSSSTKGPSVFPLAPSSKSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK B: MFPCLHHSQNLLRAVSNMLQKARQTLEFYPCTSDHEDITKDKTSTVEACLPLELTKNESCETSFITNGSCLASRKTSFMMALCLSSIYEDLKMYQVEFKTMNAKLLMDPKRQIFLDQNMLAVIDELMQALNFNSETVPSLEEPDFYKTKIKLCILLHAFRIRAVTIDRVMSYLNAS L: DIQMTQSPSSLSASVGDRVTITCRASQGISSWLAWYQQKPEKAPKSLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,H,B,L |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:24:36)
[INFO] Main: Simulation completed successfully. (00:24:55)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | I | A | 1.6088 | |
| 2 | W | A | 0.2918 | |
| 3 | E | A | -1.8367 | |
| 4 | L | A | -1.3871 | |
| 5 | K | A | -2.6781 | |
| 6 | K | A | -2.9120 | |
| 7 | D | A | -2.2281 | |
| 8 | V | A | -1.4112 | |
| 9 | Y | A | -0.4261 | |
| 10 | V | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | E | A | -0.9093 | |
| 13 | L | A | 0.0000 | |
| 14 | D | A | -1.4604 | |
| 15 | W | A | -0.8902 | |
| 16 | Y | A | -0.1216 | |
| 17 | P | A | -0.5006 | |
| 18 | D | A | -1.7363 | |
| 19 | A | A | -0.6395 | |
| 20 | P | A | -0.6396 | |
| 21 | G | A | -0.6590 | |
| 22 | E | A | -0.4162 | |
| 23 | M | A | 0.7015 | |
| 24 | V | A | 0.0000 | |
| 25 | V | A | 1.9597 | |
| 26 | L | A | 0.0000 | |
| 27 | T | A | -0.3033 | |
| 28 | C | A | 0.0000 | |
| 29 | D | A | -2.1698 | |
| 30 | T | A | -1.7697 | |
| 31 | P | A | -1.9777 | |
| 32 | E | A | -3.2902 | |
| 33 | E | A | -3.8127 | |
| 34 | D | A | -3.5774 | |
| 35 | G | A | -2.3634 | |
| 36 | I | A | 0.0000 | |
| 37 | T | A | -0.3020 | |
| 38 | W | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | D | A | -1.4233 | |
| 42 | Q | A | -1.7043 | |
| 43 | S | A | 0.0000 | |
| 44 | S | A | -0.4108 | |
| 45 | E | A | 0.0666 | |
| 46 | V | A | 1.2196 | |
| 47 | L | A | 0.0000 | |
| 48 | G | A | 0.1814 | |
| 49 | S | A | -0.6824 | |
| 50 | G | A | -1.4209 | |
| 51 | K | A | -2.2478 | |
| 52 | T | A | -0.4516 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | 0.8157 | |
| 55 | I | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | K | A | 0.0000 | |
| 59 | E | A | 0.0000 | |
| 60 | F | A | 0.0995 | |
| 61 | G | A | 0.2495 | |
| 62 | D | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | Q | A | -0.7906 | |
| 66 | Y | A | 0.0000 | |
| 67 | T | A | 0.0000 | |
| 68 | C | A | 0.0000 | |
| 69 | H | A | -0.4871 | |
| 70 | K | A | -1.9028 | |
| 71 | G | A | -1.3980 | |
| 72 | G | A | -1.3973 | |
| 73 | E | A | -1.4903 | |
| 74 | V | A | 0.5708 | |
| 75 | L | A | 0.0518 | |
| 76 | S | A | -0.4789 | |
| 77 | H | A | -0.6726 | |
| 78 | S | A | 0.0000 | |
| 79 | L | A | -0.3228 | |
| 80 | L | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | 0.0000 | |
| 85 | K | A | -1.4057 | |
| 86 | E | A | -2.0001 | |
| 87 | D | A | -2.0408 | |
| 88 | G | A | -0.8819 | |
| 89 | I | A | 0.6933 | |
| 90 | W | A | -0.2629 | |
| 91 | S | A | -0.8321 | |
| 92 | T | A | -1.2728 | |
| 93 | D | A | -1.9443 | |
| 94 | I | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -1.5137 | |
| 97 | D | A | -2.5655 | |
| 98 | Q | A | -2.7362 | |
| 99 | K | A | -4.1610 | |
| 100 | E | A | -3.8015 | |
| 101 | P | A | -2.9222 | |
| 102 | K | A | -3.4861 | |
| 103 | N | A | -3.6620 | |
| 104 | K | A | -3.3986 | |
| 105 | T | A | -2.7479 | |
| 106 | F | A | -1.4065 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -0.7086 | |
| 109 | C | A | -0.7961 | |
| 110 | E | A | -1.6427 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -1.7715 | |
| 113 | N | A | 0.0000 | |
| 114 | Y | A | -0.3739 | |
| 115 | S | A | -1.1419 | |
| 116 | G | A | 0.0000 | |
| 117 | R | A | -3.0384 | |
| 118 | F | A | 0.0000 | |
| 119 | T | A | -1.6107 | |
| 120 | C | A | 0.0000 | |
| 121 | W | A | -0.1792 | |
| 122 | W | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | T | A | -1.0829 | |
| 126 | I | A | -0.6981 | |
| 127 | S | A | -0.6031 | |
| 128 | T | A | -1.1492 | |
| 129 | D | A | -2.1469 | |
| 130 | L | A | -0.9106 | |
| 131 | T | A | -0.4537 | |
| 132 | F | A | 0.1514 | |
| 133 | S | A | -0.2111 | |
| 134 | V | A | -0.5117 | |
| 135 | K | A | -0.8630 | |
| 136 | S | A | 0.0000 | |
| 137 | S | A | -1.3342 | |
| 138 | R | A | -1.0953 | |
| 139 | G | A | -0.7162 | |
| 140 | S | A | -0.7556 | |
| 141 | S | A | -1.3855 | |
| 142 | D | A | -2.5348 | |
| 143 | P | A | -1.8781 | |
| 144 | Q | A | -2.4107 | |
| 145 | G | A | -2.2117 | |
| 146 | V | A | 0.0000 | |
| 147 | T | A | -1.5148 | |
| 148 | C | A | -1.1518 | |
| 149 | G | A | -1.0994 | |
| 150 | A | A | -0.4045 | |
| 151 | A | A | -0.0813 | |
| 152 | T | A | 0.1712 | |
| 153 | L | A | 0.5948 | |
| 154 | S | A | -0.1724 | |
| 155 | A | A | -0.8847 | |
| 156 | E | A | -2.3029 | |
| 157 | R | A | -2.1325 | |
| 158 | V | A | -1.3431 | |
| 159 | R | A | -2.7754 | |
| 160 | G | A | -2.3355 | |
| 161 | D | A | -3.0718 | |
| 162 | N | A | -3.0069 | |
| 163 | K | A | -2.7175 | |
| 164 | E | A | -2.1062 | |
| 165 | Y | A | -0.9958 | |
| 166 | E | A | -0.5229 | |
| 167 | Y | A | 0.2859 | |
| 168 | S | A | -0.2131 | |
| 169 | V | A | 0.0000 | |
| 170 | E | A | -2.4399 | |
| 171 | C | A | 0.0000 | |
| 172 | Q | A | -2.4565 | |
| 173 | E | A | -2.2291 | |
| 174 | D | A | -2.6102 | |
| 175 | S | A | -1.5393 | |
| 176 | A | A | -0.5303 | |
| 177 | C | A | -0.1799 | |
| 178 | P | A | -0.4789 | |
| 179 | A | A | -0.5216 | |
| 180 | A | A | -0.4642 | |
| 181 | E | A | -0.3755 | |
| 182 | E | A | -0.0521 | |
| 183 | S | A | -0.4985 | |
| 184 | L | A | 0.2957 | |
| 185 | P | A | 0.0429 | |
| 186 | I | A | 0.0000 | |
| 187 | E | A | -1.0275 | |
| 188 | V | A | 0.0000 | |
| 189 | M | A | -0.5193 | |
| 190 | V | A | 0.0000 | |
| 191 | D | A | -0.5247 | |
| 192 | A | A | 0.0000 | |
| 193 | V | A | -0.6289 | |
| 194 | H | A | -1.3389 | |
| 195 | K | A | -1.8187 | |
| 196 | L | A | -0.5782 | |
| 197 | K | A | -0.6154 | |
| 198 | Y | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | N | A | -0.9292 | |
| 201 | Y | A | 0.0000 | |
| 202 | T | A | -0.5193 | |
| 203 | S | A | -0.4241 | |
| 204 | S | A | -0.4596 | |
| 205 | F | A | -0.3029 | |
| 206 | F | A | -0.3225 | |
| 207 | I | A | 0.0000 | |
| 208 | R | A | 0.0000 | |
| 209 | D | A | -1.6659 | |
| 210 | I | A | -1.0279 | |
| 211 | I | A | 0.0000 | |
| 212 | K | A | -1.3430 | |
| 213 | P | A | 0.0000 | |
| 214 | D | A | -1.3790 | |
| 215 | P | A | -1.3066 | |
| 216 | P | A | 0.0000 | |
| 217 | K | A | -2.3615 | |
| 218 | N | A | -2.2792 | |
| 219 | L | A | -1.4595 | |
| 220 | Q | A | -1.4502 | |
| 221 | L | A | -0.6439 | |
| 222 | K | A | -1.7854 | |
| 223 | P | A | -1.5370 | |
| 224 | L | A | -0.6603 | |
| 225 | K | A | -2.0975 | |
| 226 | N | A | -2.4323 | |
| 227 | S | A | -2.3282 | |
| 228 | R | A | -2.8602 | |
| 229 | Q | A | -1.7830 | |
| 230 | V | A | 0.0000 | |
| 231 | E | A | -0.8744 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | -1.4210 | |
| 234 | W | A | 0.0000 | |
| 235 | E | A | -2.5448 | |
| 236 | Y | A | -1.6784 | |
| 237 | P | A | 0.0000 | |
| 238 | D | A | -2.2351 | |
| 239 | T | A | -1.2241 | |
| 240 | W | A | 0.0000 | |
| 241 | S | A | -0.5641 | |
| 242 | T | A | -0.6464 | |
| 243 | P | A | -0.5589 | |
| 244 | H | A | -0.4932 | |
| 245 | S | A | -0.3513 | |
| 246 | Y | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | S | A | -0.7104 | |
| 249 | L | A | 0.0000 | |
| 250 | T | A | -0.5901 | |
| 251 | F | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | Q | A | -1.0193 | |
| 255 | V | A | -0.9364 | |
| 256 | Q | A | -1.2921 | |
| 264 | K | A | -2.9029 | |
| 265 | D | A | -3.0787 | |
| 266 | R | A | -2.2967 | |
| 267 | V | A | 0.4747 | |
| 268 | F | A | 1.1203 | |
| 269 | T | A | 0.2155 | |
| 270 | D | A | -1.2440 | |
| 271 | K | A | -1.8716 | |
| 272 | T | A | -1.4668 | |
| 273 | S | A | -1.0846 | |
| 274 | A | A | -0.3137 | |
| 275 | T | A | 0.0296 | |
| 276 | V | A | 0.8106 | |
| 277 | I | A | 1.0612 | |
| 278 | C | A | -0.3307 | |
| 279 | R | A | -1.5859 | |
| 283 | S | A | -0.5909 | |
| 284 | I | A | 0.0000 | |
| 285 | S | A | -0.3333 | |
| 286 | V | A | 0.0000 | |
| 287 | R | A | -0.4455 | |
| 288 | A | A | 0.0000 | |
| 289 | Q | A | -0.5438 | |
| 290 | D | A | 0.0000 | |
| 291 | R | A | -0.8259 | |
| 292 | Y | A | 0.0000 | |
| 293 | Y | A | -0.5106 | |
| 294 | S | A | -0.5618 | |
| 295 | S | A | -0.7211 | |
| 296 | S | A | -0.6845 | |
| 297 | W | A | -0.3736 | |
| 298 | S | A | 0.0000 | |
| 299 | E | A | -1.2588 | |
| 300 | W | A | -0.1685 | |
| 301 | A | A | -0.4681 | |
| 302 | S | A | -0.1808 | |
| 303 | V | A | 0.0414 | |
| 304 | P | A | 0.0916 | |
| 305 | C | A | 0.1768 | |
| 12 | M | B | 1.0208 | |
| 13 | F | B | 0.0000 | |
| 14 | P | B | -0.0084 | |
| 15 | C | B | 0.0000 | |
| 16 | L | B | -0.4602 | |
| 17 | H | B | -1.1202 | |
| 18 | H | B | -1.5369 | |
| 19 | S | B | 0.0000 | |
| 20 | Q | B | -1.3741 | |
| 21 | N | B | -1.7636 | |
| 22 | L | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | -2.4386 | |
| 25 | A | B | -2.0648 | |
| 26 | V | B | 0.0000 | |
| 27 | S | B | -1.7705 | |
| 28 | N | B | -2.4607 | |
| 29 | M | B | 0.0000 | |
| 30 | L | B | -1.9335 | |
| 31 | Q | B | -2.8257 | |
| 32 | K | B | -2.7498 | |
| 33 | A | B | 0.0000 | |
| 34 | R | B | -3.4596 | |
| 35 | Q | B | -3.1166 | |
| 36 | T | B | -1.9411 | |
| 37 | L | B | 0.0000 | |
| 38 | E | B | -1.5445 | |
| 39 | F | B | 1.0785 | |
| 40 | Y | B | 0.3229 | |
| 41 | P | B | -0.5992 | |
| 42 | C | B | 0.0000 | |
| 43 | T | B | -1.0361 | |
| 44 | S | B | -0.7153 | |
| 48 | D | B | -2.4185 | |
| 49 | H | B | -2.0578 | |
| 50 | E | B | -2.6323 | |
| 51 | D | B | -1.7250 | |
| 52 | I | B | -1.3161 | |
| 53 | T | B | 0.0000 | |
| 54 | K | B | -3.4234 | |
| 55 | D | B | -3.6233 | |
| 56 | K | B | -3.1581 | |
| 57 | T | B | 0.0000 | |
| 58 | S | B | -1.6280 | |
| 59 | T | B | 0.0000 | |
| 60 | V | B | -1.1929 | |
| 61 | E | B | -1.6722 | |
| 62 | A | B | -0.7398 | |
| 63 | C | B | 0.0000 | |
| 64 | L | B | 0.0000 | |
| 65 | P | B | 0.0000 | |
| 66 | L | B | -1.1009 | |
| 67 | E | B | -2.1906 | |
| 68 | L | B | -1.2330 | |
| 69 | T | B | -1.8098 | |
| 70 | K | B | -3.0618 | |
| 71 | N | B | -3.0419 | |
| 72 | E | B | -2.5279 | |
| 73 | S | B | -1.3230 | |
| 74 | C | B | -0.3104 | |
| 79 | E | B | -1.6007 | |
| 80 | T | B | -0.4156 | |
| 81 | S | B | 0.6460 | |
| 82 | F | B | 1.6661 | |
| 83 | I | B | 0.8814 | |
| 84 | T | B | -0.4060 | |
| 85 | N | B | -1.0930 | |
| 86 | G | B | -1.0611 | |
| 87 | S | B | -0.5909 | |
| 88 | C | B | 0.3909 | |
| 89 | L | B | 0.9552 | |
| 90 | A | B | 0.2118 | |
| 91 | S | B | -0.2262 | |
| 92 | R | B | -1.5255 | |
| 93 | K | B | -0.4838 | |
| 94 | T | B | 0.0000 | |
| 95 | S | B | 0.9150 | |
| 96 | F | B | 1.5829 | |
| 97 | M | B | 0.8802 | |
| 98 | M | B | 0.0000 | |
| 99 | A | B | 0.9226 | |
| 100 | L | B | 0.2556 | |
| 101 | C | B | 0.0000 | |
| 102 | L | B | 0.0000 | |
| 103 | S | B | 0.0872 | |
| 104 | S | B | -0.2782 | |
| 105 | I | B | 0.0000 | |
| 106 | Y | B | -0.4263 | |
| 107 | E | B | -0.7203 | |
| 108 | D | B | 0.0000 | |
| 109 | L | B | 0.0000 | |
| 110 | K | B | -0.2238 | |
| 111 | M | B | -0.1568 | |
| 112 | Y | B | 0.0000 | |
| 113 | Q | B | -0.7480 | |
| 114 | V | B | -0.4116 | |
| 115 | E | B | -1.0291 | |
| 116 | F | B | 0.0000 | |
| 117 | K | B | -1.9036 | |
| 118 | T | B | -1.0331 | |
| 119 | M | B | 0.0000 | |
| 120 | N | B | -0.5219 | |
| 121 | A | B | -0.0670 | |
| 122 | K | B | 0.1101 | |
| 123 | L | B | 0.0000 | |
| 124 | L | B | 0.9211 | |
| 125 | M | B | 0.9042 | |
| 126 | D | B | 0.0000 | |
| 127 | P | B | -1.2871 | |
| 128 | K | B | -2.4727 | |
| 129 | R | B | -2.6003 | |
| 130 | Q | B | -1.8259 | |
| 131 | I | B | 0.0000 | |
| 132 | F | B | 0.0129 | |
| 133 | L | B | 0.0000 | |
| 134 | D | B | -1.8064 | |
| 135 | Q | B | -2.2169 | |
| 136 | N | B | -2.0768 | |
| 137 | M | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | A | B | -1.5645 | |
| 140 | V | B | -1.7352 | |
| 141 | I | B | 0.0000 | |
| 142 | D | B | -2.0910 | |
| 143 | E | B | -2.7091 | |
| 144 | L | B | 0.0000 | |
| 145 | M | B | -1.6362 | |
| 146 | Q | B | -2.3366 | |
| 147 | A | B | -1.5900 | |
| 148 | L | B | 0.0000 | |
| 149 | N | B | -2.0011 | |
| 150 | F | B | -0.8564 | |
| 151 | N | B | -1.4893 | |
| 152 | S | B | -1.7216 | |
| 153 | E | B | -1.8240 | |
| 154 | T | B | -0.2148 | |
| 155 | V | B | 1.2237 | |
| 156 | P | B | 0.7709 | |
| 160 | S | B | 0.3288 | |
| 161 | L | B | 0.1524 | |
| 162 | E | B | -2.0091 | |
| 163 | E | B | -2.9533 | |
| 164 | P | B | -2.4186 | |
| 165 | D | B | -2.0688 | |
| 166 | F | B | -0.2766 | |
| 167 | Y | B | 0.1184 | |
| 168 | K | B | -1.5228 | |
| 169 | T | B | 0.0000 | |
| 170 | K | B | 0.0000 | |
| 171 | I | B | -0.2826 | |
| 172 | K | B | -0.8632 | |
| 173 | L | B | 0.0000 | |
| 174 | C | B | 0.0000 | |
| 175 | I | B | -0.7121 | |
| 176 | L | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | H | B | -0.9311 | |
| 179 | A | B | 0.0000 | |
| 180 | F | B | 0.0000 | |
| 181 | R | B | -0.5394 | |
| 182 | I | B | -0.0675 | |
| 183 | R | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | I | B | 0.0000 | |
| 188 | D | B | 0.0000 | |
| 189 | R | B | 0.0000 | |
| 190 | V | B | 0.0000 | |
| 191 | M | B | 0.0000 | |
| 192 | S | B | -0.2863 | |
| 193 | Y | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | N | B | -0.0602 | |
| 196 | A | B | -0.0952 | |
| 197 | S | B | -0.6671 | |
| 1 | D | L | -2.4853 | |
| 2 | I | L | 0.0000 | |
| 3 | Q | L | -2.2371 | |
| 4 | M | L | 0.0000 | |
| 5 | T | L | -1.3397 | |
| 6 | Q | L | 0.0000 | |
| 7 | S | L | -0.8686 | |
| 8 | P | L | -0.5005 | |
| 9 | S | L | -0.8955 | |
| 10 | S | L | -0.8298 | |
| 11 | L | L | -0.4625 | |
| 12 | S | L | -0.8475 | |
| 13 | A | L | 0.0000 | |
| 14 | S | L | -0.7969 | |
| 15 | V | L | -0.1004 | |
| 16 | G | L | -0.9314 | |
| 17 | D | L | -1.7127 | |
| 18 | R | L | -2.3417 | |
| 19 | V | L | 0.0000 | |
| 20 | T | L | -0.5525 | |
| 21 | I | L | 0.0000 | |
| 22 | T | L | -0.8177 | |
| 23 | C | L | 0.0000 | |
| 24 | R | L | -2.8967 | |
| 25 | A | L | 0.0000 | |
| 26 | S | L | -2.0862 | |
| 27 | Q | L | -2.2257 | |
| 28 | G | L | -1.3109 | |
| 29 | I | L | 0.0000 | |
| 30 | S | L | -0.5254 | |
| 31 | S | L | -0.3734 | |
| 32 | W | L | 0.0000 | |
| 33 | L | L | 0.0000 | |
| 34 | A | L | 0.0000 | |
| 35 | W | L | 0.0000 | |
| 36 | Y | L | 0.0000 | |
| 37 | Q | L | 0.0000 | |
| 38 | Q | L | 0.0000 | |
| 39 | K | L | -2.1526 | |
| 40 | P | L | -2.2309 | |
| 41 | E | L | -3.0041 | |
| 42 | K | L | -3.1807 | |
| 43 | A | L | -1.8789 | |
| 44 | P | L | 0.0000 | |
| 45 | K | L | -1.4369 | |
| 46 | S | L | 0.0000 | |
| 47 | L | L | 0.0000 | |
| 48 | I | L | 0.0000 | |
| 49 | Y | L | 0.1579 | |
| 50 | A | L | -0.0473 | |
| 51 | A | L | 0.0000 | |
| 52 | S | L | -0.2873 | |
| 53 | S | L | 0.0395 | |
| 54 | L | L | 0.3076 | |
| 55 | Q | L | 0.1293 | |
| 56 | S | L | -0.0884 | |
| 57 | G | L | -0.4488 | |
| 58 | V | L | -0.2707 | |
| 59 | P | L | -0.2622 | |
| 60 | S | L | -0.4039 | |
| 61 | R | L | -0.8539 | |
| 62 | F | L | 0.0000 | |
| 63 | S | L | -0.2550 | |
| 64 | G | L | -0.2646 | |
| 65 | S | L | -0.6867 | |
| 66 | G | L | -1.1045 | |
| 67 | S | L | -1.0500 | |
| 68 | G | L | -1.1783 | |
| 69 | T | L | -1.8230 | |
| 70 | D | L | -2.3989 | |
| 71 | F | L | 0.0000 | |
| 72 | T | L | -0.8046 | |
| 73 | L | L | 0.0000 | |
| 74 | T | L | -0.6489 | |
| 75 | I | L | 0.0000 | |
| 76 | S | L | -1.4765 | |
| 77 | S | L | -1.3309 | |
| 78 | L | L | 0.0000 | |
| 79 | Q | L | -1.1303 | |
| 80 | P | L | -1.0842 | |
| 81 | E | L | -1.9535 | |
| 82 | D | L | 0.0000 | |
| 83 | F | L | -0.6990 | |
| 84 | A | L | 0.0000 | |
| 85 | T | L | -1.0768 | |
| 86 | Y | L | 0.0000 | |
| 87 | Y | L | 0.0000 | |
| 88 | C | L | 0.0000 | |
| 89 | Q | L | 0.0000 | |
| 90 | Q | L | 0.0000 | |
| 91 | Y | L | 0.0000 | |
| 92 | N | L | 0.0000 | |
| 93 | I | L | -0.7691 | |
| 94 | Y | L | -0.6418 | |
| 95 | P | L | -0.7973 | |
| 96 | Y | L | 0.0000 | |
| 97 | T | L | -0.7733 | |
| 98 | F | L | 0.0000 | |
| 99 | G | L | 0.0000 | |
| 100 | Q | L | -1.7921 | |
| 101 | G | L | 0.0000 | |
| 102 | T | L | 0.0000 | |
| 103 | K | L | -1.9077 | |
| 104 | L | L | 0.0000 | |
| 105 | E | L | -1.1976 | |
| 106 | I | L | -0.8251 | |
| 107 | K | L | -1.5610 | |
| 108 | R | L | -1.3388 | |
| 109 | T | L | -0.0213 | |
| 110 | V | L | 0.8343 | |
| 111 | A | L | 0.3066 | |
| 112 | A | L | -0.0559 | |
| 113 | P | L | 0.0000 | |
| 114 | S | L | -0.1806 | |
| 115 | V | L | 0.0000 | |
| 116 | F | L | -0.0105 | |
| 117 | I | L | 0.0000 | |
| 118 | F | L | 0.0000 | |
| 119 | P | L | -0.7807 | |
| 120 | P | L | -0.8732 | |
| 121 | S | L | -1.7935 | |
| 122 | D | L | -3.1237 | |
| 123 | E | L | -3.2369 | |
| 124 | Q | L | 0.0000 | |
| 125 | L | L | 0.0000 | |
| 126 | K | L | -2.9679 | |
| 127 | S | L | -1.8905 | |
| 128 | G | L | -1.2470 | |
| 129 | T | L | -0.9141 | |
| 130 | A | L | 0.0000 | |
| 131 | S | L | 0.0000 | |
| 132 | V | L | 0.0000 | |
| 133 | V | L | 0.0000 | |
| 134 | C | L | 0.0000 | |
| 135 | L | L | 0.0000 | |
| 136 | L | L | 0.0000 | |
| 137 | N | L | 0.0000 | |
| 138 | N | L | -1.2460 | |
| 139 | F | L | 0.0000 | |
| 140 | Y | L | 0.0000 | |
| 141 | P | L | -1.8668 | |
| 142 | R | L | -3.2391 | |
| 143 | E | L | -3.2459 | |
| 144 | A | L | -2.2780 | |
| 145 | K | L | -2.2220 | |
| 146 | V | L | -1.0325 | |
| 147 | Q | L | -0.6541 | |
| 148 | W | L | 0.0000 | |
| 149 | K | L | -0.6578 | |
| 150 | V | L | 0.0000 | |
| 151 | D | L | -1.9686 | |
| 152 | N | L | -1.4510 | |
| 153 | A | L | -0.3297 | |
| 154 | L | L | 0.6634 | |
| 155 | Q | L | -0.1782 | |
| 156 | S | L | -0.4641 | |
| 157 | G | L | -0.9302 | |
| 158 | N | L | -0.8634 | |
| 159 | S | L | -1.1960 | |
| 160 | Q | L | -1.5099 | |
| 161 | E | L | -1.7250 | |
| 162 | S | L | -0.6533 | |
| 163 | V | L | -0.5997 | |
| 164 | T | L | -1.1414 | |
| 165 | E | L | -2.2562 | |
| 166 | Q | L | -2.1235 | |
| 167 | D | L | -2.3238 | |
| 168 | S | L | -2.0653 | |
| 169 | K | L | -2.8617 | |
| 170 | D | L | -3.0249 | |
| 171 | S | L | -2.4177 | |
| 172 | T | L | 0.0000 | |
| 173 | Y | L | 0.0000 | |
| 174 | S | L | 0.0000 | |
| 175 | L | L | 0.0000 | |
| 176 | S | L | 0.0000 | |
| 177 | S | L | 0.0000 | |
| 178 | T | L | -0.7307 | |
| 179 | L | L | 0.0000 | |
| 180 | T | L | -0.3865 | |
| 181 | L | L | -0.6429 | |
| 182 | S | L | -1.0974 | |
| 183 | K | L | -2.2113 | |
| 184 | A | L | -1.9713 | |
| 185 | D | L | -2.5849 | |
| 186 | Y | L | 0.0000 | |
| 187 | E | L | -3.6648 | |
| 188 | K | L | -3.7128 | |
| 189 | H | L | -3.5016 | |
| 190 | K | L | -3.4462 | |
| 191 | V | L | -1.9262 | |
| 192 | Y | L | 0.0000 | |
| 193 | A | L | 0.0000 | |
| 194 | C | L | 0.0000 | |
| 195 | E | L | -0.8512 | |
| 196 | V | L | 0.0000 | |
| 197 | T | L | -1.0769 | |
| 198 | H | L | 0.0000 | |
| 199 | Q | L | -1.7074 | |
| 200 | G | L | -0.5354 | |
| 201 | L | L | -0.3454 | |
| 202 | S | L | -0.4479 | |
| 203 | S | L | -0.4290 | |
| 204 | P | L | -0.5239 | |
| 205 | V | L | 0.1142 | |
| 206 | T | L | -0.4546 | |
| 207 | K | L | -0.7598 | |
| 208 | S | L | -0.7651 | |
| 209 | F | L | 0.0000 | |
| 210 | N | L | -2.9585 | |
| 211 | R | L | -3.2805 | |
| 212 | G | L | -2.3456 | |
| 213 | E | L | -2.6328 | |
| 214 | C | L | -1.0025 | |
| 1 | E | H | -2.0733 | |
| 2 | V | H | -0.8784 | |
| 3 | Q | H | -1.0628 | |
| 4 | L | H | 0.0000 | |
| 5 | V | H | 0.8025 | |
| 6 | Q | H | 0.0000 | |
| 7 | S | H | -0.4187 | |
| 8 | G | H | -0.4238 | |
| 9 | A | H | -0.1345 | |
| 10 | E | H | -0.5244 | |
| 11 | V | H | 0.0263 | |
| 12 | K | H | -1.3641 | |
| 13 | K | H | -2.0018 | |
| 14 | P | H | -2.0228 | |
| 15 | G | H | -2.1499 | |
| 16 | E | H | -2.3967 | |
| 17 | S | H | -2.1625 | |
| 18 | L | H | 0.0000 | |
| 19 | K | H | -2.0924 | |
| 20 | I | H | 0.0000 | |
| 21 | S | H | -0.4726 | |
| 22 | C | H | 0.0000 | |
| 23 | K | H | -0.7840 | |
| 24 | G | H | 0.0000 | |
| 25 | S | H | -0.7473 | |
| 26 | G | H | -1.2343 | |
| 27 | Y | H | -0.6668 | |
| 28 | S | H | -0.5113 | |
| 29 | F | H | 0.0000 | |
| 30 | T | H | -0.1529 | |
| 31 | T | H | -0.1021 | |
| 32 | Y | H | 0.0000 | |
| 33 | W | H | 0.0000 | |
| 34 | L | H | 0.0000 | |
| 35 | G | H | 0.0000 | |
| 36 | W | H | 0.0000 | |
| 37 | V | H | 0.0000 | |
| 38 | R | H | -0.5220 | |
| 39 | Q | H | -0.7543 | |
| 40 | M | H | -0.7029 | |
| 41 | P | H | -0.9239 | |
| 42 | G | H | -1.4074 | |
| 43 | K | H | -2.3059 | |
| 44 | G | H | -1.5876 | |
| 45 | L | H | 0.0000 | |
| 46 | D | H | -0.8257 | |
| 47 | W | H | 0.0000 | |
| 48 | I | H | 0.0000 | |
| 49 | G | H | 0.0000 | |
| 50 | I | H | 0.0000 | |
| 51 | M | H | 0.0000 | |
| 52 | S | H | 0.0000 | |
| 53 | P | H | 0.0000 | |
| 54 | V | H | 0.6964 | |
| 55 | D | H | -0.5058 | |
| 56 | S | H | -0.3907 | |
| 57 | D | H | -0.3340 | |
| 58 | I | H | -0.0045 | |
| 59 | R | H | -0.2760 | |
| 60 | Y | H | -0.3913 | |
| 61 | S | H | 0.0000 | |
| 62 | P | H | -1.0892 | |
| 63 | S | H | -0.8303 | |
| 64 | F | H | 0.0000 | |
| 65 | Q | H | -1.6396 | |
| 66 | G | H | -1.2288 | |
| 67 | Q | H | -1.2097 | |
| 68 | V | H | 0.0000 | |
| 69 | T | H | -0.8023 | |
| 70 | M | H | 0.0000 | |
| 71 | S | H | -0.2769 | |
| 72 | V | H | -0.3534 | |
| 73 | D | H | -0.9533 | |
| 74 | K | H | -1.2675 | |
| 75 | S | H | -0.3079 | |
| 76 | I | H | 0.2720 | |
| 77 | T | H | -0.6213 | |
| 78 | T | H | 0.0000 | |
| 79 | A | H | 0.0000 | |
| 80 | Y | H | -0.5578 | |
| 81 | L | H | 0.0000 | |
| 82 | Q | H | -1.4095 | |
| 83 | W | H | 0.0000 | |
| 84 | N | H | -2.2534 | |
| 85 | S | H | -1.9887 | |
| 86 | L | H | 0.0000 | |
| 87 | K | H | -2.3939 | |
| 88 | A | H | -1.2038 | |
| 89 | S | H | -0.7093 | |
| 90 | D | H | 0.0000 | |
| 91 | T | H | -0.2779 | |
| 92 | A | H | 0.0000 | |
| 93 | M | H | 0.1700 | |
| 94 | Y | H | 0.0000 | |
| 95 | Y | H | 0.0000 | |
| 96 | C | H | 0.0000 | |
| 97 | A | H | 0.0000 | |
| 98 | R | H | 0.0000 | |
| 99 | R | H | 0.0000 | |
| 100 | R | H | 0.0000 | |
| 101 | P | H | 0.0000 | |
| 102 | G | H | 0.0000 | |
| 103 | Q | H | 0.0000 | |
| 104 | G | H | 0.0000 | |
| 105 | Y | H | 0.0000 | |
| 106 | F | H | 0.0000 | |
| 107 | D | H | 0.0000 | |
| 108 | F | H | 0.2632 | |
| 109 | W | H | 0.0542 | |
| 110 | G | H | 0.0000 | |
| 111 | Q | H | -1.1292 | |
| 112 | G | H | 0.0000 | |
| 113 | T | H | 0.0000 | |
| 114 | L | H | 0.4227 | |
| 115 | V | H | 0.0000 | |
| 116 | T | H | 0.0000 | |
| 117 | V | H | 0.0000 | |
| 118 | S | H | -0.8738 | |
| 119 | S | H | -0.9787 | |
| 120 | S | H | -0.6010 | |
| 121 | S | H | -0.6520 | |
| 122 | T | H | -0.6441 | |
| 123 | K | H | -1.2224 | |
| 124 | G | H | -1.4663 | |
| 125 | P | H | -0.7631 | |
| 126 | S | H | -0.3047 | |
| 127 | V | H | 0.0000 | |
| 128 | F | H | -0.9444 | |
| 129 | P | H | -1.0266 | |
| 130 | L | H | 0.0000 | |
| 131 | A | H | -0.9436 | |
| 132 | P | H | 0.0000 | |
| 133 | S | H | -1.3484 | |
| 134 | S | H | -1.6395 | |
| 135 | K | H | -2.1360 | |
| 136 | S | H | -1.2705 | |
| 140 | G | H | -1.1018 | |
| 141 | T | H | -0.8551 | |
| 142 | A | H | 0.0000 | |
| 143 | A | H | 0.0000 | |
| 144 | L | H | 0.0000 | |
| 145 | G | H | 0.0000 | |
| 146 | C | H | 0.0000 | |
| 147 | L | H | 0.0000 | |
| 148 | V | H | 0.0000 | |
| 149 | K | H | -0.3910 | |
| 150 | D | H | -0.6104 | |
| 151 | Y | H | 0.0000 | |
| 152 | F | H | 0.0000 | |
| 153 | P | H | 0.0000 | |
| 154 | E | H | -0.3456 | |
| 155 | P | H | -0.7959 | |
| 156 | V | H | -0.8027 | |
| 157 | T | H | -0.7575 | |
| 158 | V | H | -0.4442 | |
| 159 | S | H | -0.4205 | |
| 160 | W | H | 0.0000 | |
| 161 | N | H | -0.7922 | |
| 162 | S | H | -0.6106 | |
| 163 | G | H | -0.4885 | |
| 164 | A | H | -0.2084 | |
| 165 | L | H | 0.0184 | |
| 166 | T | H | -0.1562 | |
| 167 | S | H | -0.1897 | |
| 168 | G | H | -0.2054 | |
| 169 | V | H | 0.1447 | |
| 170 | H | H | -0.1491 | |
| 171 | T | H | 0.0123 | |
| 172 | F | H | 0.0000 | |
| 173 | P | H | -0.2552 | |
| 174 | A | H | 0.3011 | |
| 175 | V | H | 0.5736 | |
| 176 | L | H | 1.4059 | |
| 177 | Q | H | 0.3237 | |
| 178 | S | H | 0.0295 | |
| 179 | S | H | -0.1736 | |
| 180 | G | H | 0.0670 | |
| 181 | L | H | 0.0887 | |
| 182 | Y | H | 0.4440 | |
| 183 | S | H | 0.0000 | |
| 184 | L | H | 0.0000 | |
| 185 | S | H | 0.0000 | |
| 186 | S | H | 0.0000 | |
| 187 | V | H | 0.0000 | |
| 188 | V | H | 0.0000 | |
| 189 | T | H | -0.1454 | |
| 190 | V | H | 0.0000 | |
| 191 | P | H | -0.6548 | |
| 192 | S | H | -0.8877 | |
| 193 | S | H | -0.7507 | |
| 194 | S | H | -0.5564 | |
| 195 | L | H | -0.4689 | |
| 196 | G | H | -0.8736 | |
| 197 | T | H | -0.8073 | |
| 198 | Q | H | -1.2880 | |
| 199 | T | H | -1.1632 | |
| 200 | Y | H | 0.0000 | |
| 201 | I | H | -1.4123 | |
| 202 | C | H | 0.0000 | |
| 203 | N | H | -1.5963 | |
| 204 | V | H | 0.0000 | |
| 205 | N | H | -2.4099 | |
| 206 | H | H | 0.0000 | |
| 207 | K | H | -2.8088 | |
| 208 | P | H | -1.5589 | |
| 209 | S | H | -1.9015 | |
| 210 | N | H | -2.5766 | |
| 211 | T | H | -2.2215 | |
| 212 | K | H | -2.8848 | |
| 213 | V | H | -1.9525 | |
| 214 | D | H | -2.6072 | |
| 215 | K | H | -2.1020 | |
| 216 | R | H | -2.5557 | |
| 217 | V | H | 0.0000 | |
| 218 | E | H | -1.9556 | |
| 219 | P | H | -1.3909 | |
| 220 | K | H | -2.1826 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine