| Chain sequence(s) |
B: GAGKAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNIAEADWESVSSILQVGGTIIGSARCQAFRTREGRLKAACNLLQRGITNLCVIGGDGSLTGANLFRKEWSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSIDNDFCGTDMTIGTDSALHRIIEVVDAIMTTAQSHQRTFVLEVMGRHCGYLALVSALACGADWVFLPESPPEEGWEEQMCVKLSENRARKKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGYDTRVTILGHVQRGGTPSAFDRILASRMGVEAVIALLEATPDTPACVVSLNGNHAVRLPLMECVQMTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLAIKLPDDQIPKTNCNVAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYDGFDGFAKGQIKEIGWTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTHSINALLIIGGFEAYLGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDFSIGADTALNTITDTCNRIKQSASGTKRRVFIIETMGGYCGYLANMGGLAAGADAAYIFEEPFDIRDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTDFIYQLYSEEGKGVFDCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWITAKLKEFTTDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKLRPLMKILAK
input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:07)
[INFO] Main: Simulation completed successfully. (00:00:30)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 22 | G | B | -0.8013 | |
| 23 | A | B | -0.5994 | |
| 24 | G | B | -1.2031 | |
| 25 | K | B | -1.3375 | |
| 26 | A | B | 0.0000 | |
| 27 | I | B | 0.0000 | |
| 28 | G | B | 0.0000 | |
| 29 | V | B | 0.0000 | |
| 30 | L | B | 0.0000 | |
| 31 | T | B | 0.0000 | |
| 32 | S | B | 0.0000 | |
| 33 | G | B | -1.1083 | |
| 34 | G | B | -1.0189 | |
| 35 | D | B | -0.9332 | |
| 36 | A | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | G | B | 0.0000 | |
| 39 | M | B | 0.0000 | |
| 40 | N | B | 0.0000 | |
| 41 | A | B | 0.0000 | |
| 42 | A | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | R | B | 0.0000 | |
| 45 | A | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | V | B | 0.0000 | |
| 48 | R | B | 0.0000 | |
| 49 | M | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.5204 | |
| 52 | Y | B | 1.3595 | |
| 53 | V | B | 0.5990 | |
| 54 | G | B | -0.2847 | |
| 55 | A | B | -0.8414 | |
| 56 | K | B | -2.0907 | |
| 57 | V | B | 0.0000 | |
| 58 | Y | B | 0.0000 | |
| 59 | F | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | Y | B | -0.3421 | |
| 62 | E | B | -1.6501 | |
| 63 | G | B | 0.0000 | |
| 64 | Y | B | 0.0000 | |
| 65 | Q | B | -1.8309 | |
| 66 | G | B | 0.0000 | |
| 67 | M | B | 0.0000 | |
| 68 | V | B | -1.6104 | |
| 69 | D | B | -2.3265 | |
| 70 | G | B | -1.5352 | |
| 71 | G | B | -1.1897 | |
| 72 | S | B | -0.7706 | |
| 73 | N | B | -1.0659 | |
| 74 | I | B | 0.0000 | |
| 75 | A | B | -0.8255 | |
| 76 | E | B | -1.9363 | |
| 77 | A | B | 0.0000 | |
| 78 | D | B | -1.6178 | |
| 79 | W | B | -0.7316 | |
| 80 | E | B | -1.2768 | |
| 81 | S | B | -0.8882 | |
| 82 | V | B | 0.0000 | |
| 83 | S | B | -0.3797 | |
| 84 | S | B | -0.1487 | |
| 85 | I | B | 0.6282 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | 0.1563 | |
| 88 | V | B | 1.0503 | |
| 89 | G | B | 0.1645 | |
| 90 | G | B | -0.0278 | |
| 91 | T | B | 0.5237 | |
| 92 | I | B | 1.3141 | |
| 93 | I | B | 0.0000 | |
| 94 | G | B | -0.3721 | |
| 95 | S | B | -0.7930 | |
| 96 | A | B | -1.5795 | |
| 97 | R | B | -2.4600 | |
| 98 | C | B | -2.0363 | |
| 99 | Q | B | -2.1635 | |
| 100 | A | B | -2.0909 | |
| 101 | F | B | 0.0000 | |
| 102 | R | B | -2.6780 | |
| 103 | T | B | -2.3426 | |
| 104 | R | B | -2.7574 | |
| 105 | E | B | -2.8969 | |
| 106 | G | B | -2.4709 | |
| 107 | R | B | -1.9652 | |
| 108 | L | B | -1.3914 | |
| 109 | K | B | -2.0032 | |
| 110 | A | B | 0.0000 | |
| 111 | A | B | 0.0000 | |
| 112 | C | B | -0.7588 | |
| 113 | N | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | L | B | -0.5706 | |
| 116 | Q | B | -1.5244 | |
| 117 | R | B | -1.7151 | |
| 118 | G | B | -1.2637 | |
| 119 | I | B | 0.0000 | |
| 120 | T | B | -0.1327 | |
| 121 | N | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | C | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | I | B | 0.0000 | |
| 126 | G | B | 0.0000 | |
| 127 | G | B | 0.0000 | |
| 128 | D | B | -0.8952 | |
| 129 | G | B | -0.9236 | |
| 130 | S | B | -0.8017 | |
| 131 | L | B | 0.0000 | |
| 132 | T | B | 0.1170 | |
| 133 | G | B | -0.2017 | |
| 134 | A | B | 0.0000 | |
| 135 | N | B | -0.0460 | |
| 136 | L | B | 0.2430 | |
| 137 | F | B | 0.0000 | |
| 138 | R | B | -0.6854 | |
| 139 | K | B | -1.5336 | |
| 140 | E | B | -1.3209 | |
| 141 | W | B | 0.0000 | |
| 142 | S | B | -1.1869 | |
| 143 | G | B | -1.3734 | |
| 144 | L | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | E | B | -3.1782 | |
| 147 | E | B | -2.4637 | |
| 148 | L | B | 0.0000 | |
| 149 | A | B | -3.5244 | |
| 150 | R | B | -3.7831 | |
| 151 | N | B | -3.0510 | |
| 152 | G | B | -3.0210 | |
| 153 | Q | B | -2.5926 | |
| 154 | I | B | -2.8655 | |
| 155 | D | B | -3.7707 | |
| 156 | K | B | -4.5320 | |
| 157 | E | B | -4.0420 | |
| 158 | A | B | -3.1143 | |
| 159 | V | B | 0.0000 | |
| 160 | Q | B | -3.1893 | |
| 161 | K | B | -2.7044 | |
| 162 | Y | B | -0.9319 | |
| 163 | A | B | -0.7298 | |
| 164 | Y | B | 0.3300 | |
| 165 | L | B | 0.0000 | |
| 166 | N | B | 0.0000 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | M | B | 0.0000 | |
| 171 | V | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | S | B | 0.0000 | |
| 174 | I | B | 0.0000 | |
| 175 | D | B | -1.2864 | |
| 176 | N | B | -0.9539 | |
| 177 | D | B | -1.2088 | |
| 178 | F | B | 0.0000 | |
| 179 | C | B | 0.0000 | |
| 180 | G | B | -0.7673 | |
| 181 | T | B | -0.5194 | |
| 182 | D | B | -1.1433 | |
| 183 | M | B | -0.2334 | |
| 184 | T | B | 0.0000 | |
| 185 | I | B | 0.0000 | |
| 186 | G | B | 0.0000 | |
| 187 | T | B | 0.0000 | |
| 188 | D | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | H | B | -0.5336 | |
| 193 | R | B | -0.3986 | |
| 194 | I | B | 0.0000 | |
| 195 | I | B | 0.0000 | |
| 196 | E | B | -1.2478 | |
| 197 | V | B | -0.0209 | |
| 198 | V | B | 0.0000 | |
| 199 | D | B | -0.6034 | |
| 200 | A | B | -0.0577 | |
| 201 | I | B | 0.1128 | |
| 202 | M | B | -0.1813 | |
| 203 | T | B | -0.3323 | |
| 204 | T | B | -0.5265 | |
| 205 | A | B | 0.0000 | |
| 206 | Q | B | -2.1877 | |
| 207 | S | B | -1.7236 | |
| 208 | H | B | -2.4175 | |
| 209 | Q | B | -2.7660 | |
| 210 | R | B | -2.4828 | |
| 211 | T | B | 0.0000 | |
| 212 | F | B | -0.5859 | |
| 213 | V | B | 0.0000 | |
| 214 | L | B | 0.0000 | |
| 215 | E | B | 0.3321 | |
| 216 | V | B | 0.0000 | |
| 217 | M | B | -0.9130 | |
| 218 | G | B | 0.0000 | |
| 219 | R | B | -2.7184 | |
| 220 | H | B | -2.1489 | |
| 221 | C | B | 0.0000 | |
| 222 | G | B | 0.0000 | |
| 223 | Y | B | 0.0000 | |
| 224 | L | B | 0.0000 | |
| 225 | A | B | 0.0000 | |
| 226 | L | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | A | B | 0.0000 | |
| 230 | L | B | 0.0000 | |
| 231 | A | B | 0.0000 | |
| 232 | C | B | 0.0000 | |
| 233 | G | B | -0.1226 | |
| 234 | A | B | 0.0000 | |
| 235 | D | B | 0.0000 | |
| 236 | W | B | 0.0000 | |
| 237 | V | B | 0.1225 | |
| 238 | F | B | 0.0000 | |
| 239 | L | B | 0.0000 | |
| 240 | P | B | 0.0000 | |
| 241 | E | B | 0.0000 | |
| 242 | S | B | -0.7437 | |
| 243 | P | B | -1.1025 | |
| 244 | P | B | -1.5771 | |
| 245 | E | B | -2.9478 | |
| 246 | E | B | -3.2283 | |
| 247 | G | B | -2.4813 | |
| 248 | W | B | -2.2712 | |
| 249 | E | B | -2.3506 | |
| 250 | E | B | -2.4445 | |
| 251 | Q | B | -2.1673 | |
| 252 | M | B | 0.0000 | |
| 253 | C | B | 0.0000 | |
| 254 | V | B | 0.1882 | |
| 255 | K | B | -0.2225 | |
| 256 | L | B | 0.0000 | |
| 257 | S | B | -0.5151 | |
| 258 | E | B | -1.1444 | |
| 259 | N | B | -2.0232 | |
| 260 | R | B | -2.5795 | |
| 261 | A | B | -1.9281 | |
| 262 | R | B | -2.5760 | |
| 263 | K | B | -3.2477 | |
| 264 | K | B | -3.0886 | |
| 265 | R | B | -3.6479 | |
| 266 | L | B | -1.8633 | |
| 267 | N | B | 0.0000 | |
| 268 | I | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | V | B | 0.0000 | |
| 272 | A | B | 0.0000 | |
| 273 | E | B | -1.4577 | |
| 274 | G | B | -1.9187 | |
| 275 | A | B | 0.0000 | |
| 276 | I | B | -1.7052 | |
| 277 | D | B | -1.9537 | |
| 278 | T | B | -2.1500 | |
| 279 | Q | B | -2.8335 | |
| 280 | N | B | -3.1779 | |
| 281 | K | B | -2.8130 | |
| 282 | P | B | -1.9172 | |
| 283 | I | B | 0.0000 | |
| 284 | T | B | -1.5887 | |
| 285 | S | B | 0.0000 | |
| 286 | E | B | -3.2696 | |
| 287 | K | B | -3.2047 | |
| 288 | I | B | 0.0000 | |
| 289 | K | B | -2.6247 | |
| 290 | E | B | -2.6411 | |
| 291 | L | B | -1.7010 | |
| 292 | V | B | 0.0000 | |
| 293 | V | B | 0.0632 | |
| 294 | T | B | -0.3379 | |
| 295 | Q | B | -1.0318 | |
| 296 | L | B | -0.2264 | |
| 297 | G | B | -0.5367 | |
| 298 | Y | B | -1.1479 | |
| 299 | D | B | -2.2596 | |
| 300 | T | B | -1.8212 | |
| 301 | R | B | -2.1206 | |
| 302 | V | B | -0.4939 | |
| 303 | T | B | 0.6090 | |
| 304 | I | B | 1.6969 | |
| 305 | L | B | 0.0000 | |
| 306 | G | B | 0.2177 | |
| 307 | H | B | -0.1868 | |
| 308 | V | B | 1.0902 | |
| 309 | Q | B | 0.0000 | |
| 310 | R | B | -0.5385 | |
| 311 | G | B | -0.2218 | |
| 312 | G | B | -0.2788 | |
| 313 | T | B | -0.3092 | |
| 314 | P | B | 0.0000 | |
| 315 | S | B | 0.0000 | |
| 316 | A | B | 0.0000 | |
| 317 | F | B | 0.3126 | |
| 318 | D | B | 0.0000 | |
| 319 | R | B | 0.0000 | |
| 320 | I | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | S | B | 0.0000 | |
| 324 | R | B | -0.3154 | |
| 325 | M | B | 0.0000 | |
| 326 | G | B | 0.0000 | |
| 327 | V | B | 0.0000 | |
| 328 | E | B | -0.1342 | |
| 329 | A | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | I | B | 0.0100 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | L | B | -0.6852 | |
| 335 | E | B | -1.6174 | |
| 336 | A | B | -1.0835 | |
| 337 | T | B | -1.0582 | |
| 338 | P | B | -1.0245 | |
| 339 | D | B | -1.8159 | |
| 340 | T | B | -1.2781 | |
| 341 | P | B | -0.5171 | |
| 342 | A | B | 0.0000 | |
| 343 | C | B | 0.0000 | |
| 344 | V | B | 0.0000 | |
| 345 | V | B | 0.0000 | |
| 346 | S | B | 0.0000 | |
| 347 | L | B | -0.3294 | |
| 348 | N | B | -1.2689 | |
| 349 | G | B | -1.8791 | |
| 350 | N | B | 0.0000 | |
| 351 | H | B | -1.6207 | |
| 352 | A | B | -0.3864 | |
| 353 | V | B | 0.1969 | |
| 354 | R | B | -0.3443 | |
| 355 | L | B | -0.1975 | |
| 356 | P | B | -0.3631 | |
| 357 | L | B | 0.0000 | |
| 358 | M | B | 0.0587 | |
| 359 | E | B | -1.4714 | |
| 360 | C | B | 0.0000 | |
| 361 | V | B | -0.8105 | |
| 362 | Q | B | -1.8205 | |
| 363 | M | B | -1.3172 | |
| 364 | T | B | -1.6222 | |
| 365 | Q | B | -2.3481 | |
| 366 | D | B | -2.1062 | |
| 367 | V | B | 0.0000 | |
| 368 | Q | B | -2.6383 | |
| 369 | K | B | -3.2248 | |
| 370 | A | B | 0.0000 | |
| 371 | M | B | 0.0000 | |
| 372 | D | B | -3.1660 | |
| 373 | E | B | -3.3297 | |
| 374 | R | B | -2.7769 | |
| 375 | R | B | -2.3622 | |
| 376 | F | B | 0.0000 | |
| 377 | Q | B | -2.1668 | |
| 378 | D | B | -2.1146 | |
| 379 | A | B | 0.0000 | |
| 380 | V | B | -1.4893 | |
| 381 | R | B | -2.5083 | |
| 382 | L | B | -1.1783 | |
| 383 | R | B | 0.0000 | |
| 384 | G | B | -1.6732 | |
| 385 | R | B | -2.4698 | |
| 386 | S | B | -1.7641 | |
| 387 | F | B | 0.0000 | |
| 388 | A | B | -1.3805 | |
| 389 | G | B | -1.2896 | |
| 390 | N | B | 0.0000 | |
| 391 | L | B | -0.7338 | |
| 392 | N | B | -1.5074 | |
| 393 | T | B | 0.0000 | |
| 394 | Y | B | 0.0000 | |
| 395 | K | B | -0.9018 | |
| 396 | R | B | -0.7133 | |
| 397 | L | B | 0.0000 | |
| 398 | A | B | 0.1154 | |
| 399 | I | B | 0.6249 | |
| 400 | K | B | -0.0911 | |
| 401 | L | B | -0.4523 | |
| 402 | P | B | -1.7012 | |
| 403 | D | B | -3.2597 | |
| 404 | D | B | -3.4687 | |
| 405 | Q | B | -2.8697 | |
| 406 | I | B | 0.0000 | |
| 407 | P | B | -2.1561 | |
| 408 | K | B | -2.9808 | |
| 409 | T | B | -1.8863 | |
| 410 | N | B | -2.0433 | |
| 411 | C | B | -1.2049 | |
| 412 | N | B | -1.0428 | |
| 413 | V | B | 0.0000 | |
| 414 | A | B | 0.0000 | |
| 415 | V | B | 0.0000 | |
| 416 | I | B | 0.0000 | |
| 417 | N | B | 0.0000 | |
| 418 | V | B | 0.0000 | |
| 419 | G | B | 0.0000 | |
| 420 | A | B | 0.0000 | |
| 421 | P | B | -0.6256 | |
| 422 | A | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | G | B | 0.0000 | |
| 425 | M | B | 0.0000 | |
| 426 | N | B | 0.0000 | |
| 427 | A | B | 0.0000 | |
| 428 | A | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | R | B | 0.0000 | |
| 431 | S | B | 0.0000 | |
| 432 | A | B | 0.0000 | |
| 433 | V | B | 0.0000 | |
| 434 | R | B | -0.4357 | |
| 435 | V | B | 0.0000 | |
| 436 | G | B | 0.0000 | |
| 437 | I | B | -0.6225 | |
| 438 | A | B | -0.7299 | |
| 439 | D | B | -1.0270 | |
| 440 | G | B | 0.0000 | |
| 441 | H | B | 0.0000 | |
| 442 | R | B | -1.5813 | |
| 443 | M | B | 0.0000 | |
| 444 | L | B | 0.0000 | |
| 445 | A | B | 0.0000 | |
| 446 | I | B | 0.0000 | |
| 447 | Y | B | -0.5956 | |
| 448 | D | B | -1.0332 | |
| 449 | G | B | 0.0000 | |
| 450 | F | B | 0.0000 | |
| 451 | D | B | -1.4062 | |
| 452 | G | B | 0.0000 | |
| 453 | F | B | 0.0000 | |
| 454 | A | B | -1.7506 | |
| 455 | K | B | -2.2366 | |
| 456 | G | B | -1.7880 | |
| 457 | Q | B | -1.6223 | |
| 458 | I | B | -1.6024 | |
| 459 | K | B | -2.5297 | |
| 460 | E | B | -2.6648 | |
| 461 | I | B | 0.0000 | |
| 462 | G | B | -0.8690 | |
| 463 | W | B | -0.4360 | |
| 464 | T | B | -1.2524 | |
| 465 | D | B | -1.5087 | |
| 466 | V | B | 0.0000 | |
| 467 | G | B | -1.1397 | |
| 468 | G | B | -0.9915 | |
| 469 | W | B | -0.3618 | |
| 470 | T | B | 0.0000 | |
| 471 | G | B | -0.7031 | |
| 472 | Q | B | -1.0845 | |
| 473 | G | B | -0.7348 | |
| 474 | G | B | -0.4065 | |
| 475 | S | B | 0.1512 | |
| 476 | I | B | 0.9616 | |
| 477 | L | B | 0.0000 | |
| 478 | G | B | -0.0738 | |
| 479 | T | B | -0.8395 | |
| 480 | K | B | -1.7605 | |
| 481 | R | B | -2.0384 | |
| 482 | V | B | -0.7752 | |
| 483 | L | B | -0.3907 | |
| 484 | P | B | 0.0000 | |
| 485 | G | B | -1.4647 | |
| 486 | K | B | -1.8422 | |
| 487 | Y | B | -1.2120 | |
| 488 | L | B | 0.0000 | |
| 489 | E | B | -2.5876 | |
| 490 | E | B | -2.5765 | |
| 491 | I | B | 0.0000 | |
| 492 | A | B | 0.0000 | |
| 493 | T | B | -1.7698 | |
| 494 | Q | B | -1.8767 | |
| 495 | M | B | 0.0000 | |
| 496 | R | B | -2.5044 | |
| 497 | T | B | -1.2836 | |
| 498 | H | B | -1.4382 | |
| 499 | S | B | -1.3286 | |
| 500 | I | B | 0.0000 | |
| 501 | N | B | -0.9313 | |
| 502 | A | B | 0.0000 | |
| 503 | L | B | 0.0000 | |
| 504 | L | B | 0.0000 | |
| 505 | I | B | 0.0000 | |
| 506 | I | B | 0.0000 | |
| 507 | G | B | 0.0000 | |
| 508 | G | B | 0.0000 | |
| 509 | F | B | 0.0000 | |
| 510 | E | B | 0.0000 | |
| 511 | A | B | 0.0000 | |
| 512 | Y | B | 0.0000 | |
| 513 | L | B | 0.2359 | |
| 514 | G | B | 0.0000 | |
| 515 | L | B | 0.0000 | |
| 516 | L | B | 0.0000 | |
| 517 | E | B | -0.5481 | |
| 518 | L | B | 0.0000 | |
| 519 | S | B | -0.6614 | |
| 520 | A | B | -0.8280 | |
| 521 | A | B | 0.0000 | |
| 522 | R | B | -2.3332 | |
| 523 | E | B | -3.3985 | |
| 524 | K | B | -3.2463 | |
| 525 | H | B | -2.9479 | |
| 526 | E | B | -3.3492 | |
| 527 | E | B | -2.4134 | |
| 528 | F | B | 0.0000 | |
| 529 | C | B | -0.6685 | |
| 530 | V | B | 0.0959 | |
| 531 | P | B | 0.0000 | |
| 532 | M | B | 0.0000 | |
| 533 | V | B | 0.0000 | |
| 534 | M | B | 0.0000 | |
| 535 | V | B | 0.0000 | |
| 536 | P | B | 0.0000 | |
| 537 | A | B | 0.0000 | |
| 538 | T | B | 0.0000 | |
| 539 | V | B | 0.0000 | |
| 540 | S | B | -0.0281 | |
| 541 | N | B | 0.0000 | |
| 542 | N | B | 0.0000 | |
| 543 | V | B | 0.0000 | |
| 544 | P | B | 0.0000 | |
| 545 | G | B | -0.2057 | |
| 546 | S | B | 0.0085 | |
| 547 | D | B | -0.3198 | |
| 548 | F | B | 0.2030 | |
| 549 | S | B | 0.0000 | |
| 550 | I | B | 0.0000 | |
| 551 | G | B | 0.0000 | |
| 552 | A | B | 0.0000 | |
| 553 | D | B | 0.0000 | |
| 554 | T | B | 0.0000 | |
| 555 | A | B | 0.0000 | |
| 556 | L | B | 0.0000 | |
| 557 | N | B | -0.3381 | |
| 558 | T | B | -0.2870 | |
| 559 | I | B | 0.0000 | |
| 560 | T | B | 0.0000 | |
| 561 | D | B | -1.2799 | |
| 562 | T | B | -1.0557 | |
| 563 | C | B | 0.0000 | |
| 564 | N | B | -1.6439 | |
| 565 | R | B | -2.4301 | |
| 566 | I | B | -1.3809 | |
| 567 | K | B | 0.0000 | |
| 568 | Q | B | -2.0440 | |
| 569 | S | B | -1.5529 | |
| 570 | A | B | 0.0000 | |
| 571 | S | B | -1.8068 | |
| 572 | G | B | -1.6037 | |
| 573 | T | B | -1.9287 | |
| 574 | K | B | -2.8699 | |
| 575 | R | B | -3.0042 | |
| 576 | R | B | -2.3660 | |
| 577 | V | B | 0.0000 | |
| 578 | F | B | 0.0000 | |
| 579 | I | B | 0.0000 | |
| 580 | I | B | 0.0000 | |
| 581 | E | B | -0.1757 | |
| 582 | T | B | 0.0000 | |
| 583 | M | B | -0.1115 | |
| 584 | G | B | 0.0000 | |
| 585 | G | B | -0.3260 | |
| 586 | Y | B | -0.1874 | |
| 587 | C | B | 0.0000 | |
| 588 | G | B | 0.0000 | |
| 589 | Y | B | 0.0000 | |
| 590 | L | B | 0.0000 | |
| 591 | A | B | 0.0000 | |
| 592 | N | B | 0.0000 | |
| 593 | M | B | 0.0000 | |
| 594 | G | B | 0.0000 | |
| 595 | G | B | 0.0000 | |
| 596 | L | B | 0.0000 | |
| 597 | A | B | 0.0000 | |
| 598 | A | B | 0.0000 | |
| 599 | G | B | -0.3475 | |
| 600 | A | B | 0.0000 | |
| 601 | D | B | 0.0000 | |
| 602 | A | B | 0.0000 | |
| 603 | A | B | 0.0000 | |
| 604 | Y | B | 0.0000 | |
| 605 | I | B | 0.0000 | |
| 606 | F | B | 0.1210 | |
| 607 | E | B | -0.6906 | |
| 608 | E | B | -0.5118 | |
| 609 | P | B | -0.6863 | |
| 610 | F | B | -0.8772 | |
| 611 | D | B | -1.2530 | |
| 612 | I | B | -0.8352 | |
| 613 | R | B | -2.6785 | |
| 614 | D | B | -3.0217 | |
| 615 | L | B | 0.0000 | |
| 616 | Q | B | -2.5146 | |
| 617 | S | B | -2.3033 | |
| 618 | N | B | -1.7402 | |
| 619 | V | B | 0.0000 | |
| 620 | E | B | -2.8932 | |
| 621 | H | B | -1.9081 | |
| 622 | L | B | 0.0000 | |
| 623 | T | B | -2.0491 | |
| 624 | E | B | -2.5270 | |
| 625 | K | B | -2.1400 | |
| 626 | M | B | 0.0000 | |
| 627 | K | B | -2.2907 | |
| 628 | T | B | -1.3471 | |
| 629 | T | B | -0.8542 | |
| 630 | I | B | -0.9429 | |
| 631 | Q | B | -1.8522 | |
| 632 | R | B | -1.5753 | |
| 633 | G | B | 0.0000 | |
| 634 | L | B | 0.0000 | |
| 635 | V | B | 0.0000 | |
| 636 | L | B | 0.0000 | |
| 637 | R | B | 0.0000 | |
| 638 | N | B | 0.0000 | |
| 639 | E | B | -0.6319 | |
| 640 | S | B | -0.8282 | |
| 641 | C | B | 0.0000 | |
| 642 | S | B | -1.2858 | |
| 643 | E | B | -2.4257 | |
| 644 | N | B | -2.0687 | |
| 645 | Y | B | -0.7912 | |
| 646 | T | B | -1.1369 | |
| 647 | T | B | 0.0000 | |
| 648 | D | B | -1.4746 | |
| 649 | F | B | -0.2333 | |
| 650 | I | B | 0.0000 | |
| 651 | Y | B | -1.3178 | |
| 652 | Q | B | -2.0266 | |
| 653 | L | B | -1.4856 | |
| 654 | Y | B | 0.0000 | |
| 655 | S | B | -2.6728 | |
| 656 | E | B | -3.5770 | |
| 657 | E | B | -3.3388 | |
| 658 | G | B | 0.0000 | |
| 659 | K | B | -3.1881 | |
| 660 | G | B | -1.9509 | |
| 661 | V | B | -1.5516 | |
| 662 | F | B | 0.0000 | |
| 663 | D | B | -2.9955 | |
| 664 | C | B | 0.0000 | |
| 665 | R | B | -2.4999 | |
| 666 | K | B | -1.6605 | |
| 667 | N | B | -0.5041 | |
| 668 | V | B | 1.1466 | |
| 669 | L | B | 0.6536 | |
| 670 | G | B | 0.0368 | |
| 671 | H | B | -0.5441 | |
| 672 | M | B | 0.3179 | |
| 673 | Q | B | 0.0000 | |
| 674 | Q | B | 0.0000 | |
| 675 | G | B | -0.7596 | |
| 676 | G | B | -0.6365 | |
| 677 | A | B | -0.6947 | |
| 678 | P | B | 0.0000 | |
| 679 | S | B | 0.0000 | |
| 680 | P | B | 0.0000 | |
| 681 | F | B | 0.4313 | |
| 682 | D | B | 0.0000 | |
| 683 | R | B | 0.0000 | |
| 684 | N | B | 0.0000 | |
| 685 | F | B | 0.0000 | |
| 686 | G | B | 0.0000 | |
| 687 | T | B | 0.0000 | |
| 688 | K | B | -0.7187 | |
| 689 | I | B | 0.0000 | |
| 690 | S | B | 0.0000 | |
| 691 | A | B | 0.0000 | |
| 692 | R | B | -1.0814 | |
| 693 | A | B | 0.0000 | |
| 694 | M | B | 0.0000 | |
| 695 | E | B | -1.6131 | |
| 696 | W | B | -0.6848 | |
| 697 | I | B | 0.0000 | |
| 698 | T | B | -1.0087 | |
| 699 | A | B | -1.0433 | |
| 700 | K | B | -1.3292 | |
| 701 | L | B | -1.4017 | |
| 702 | K | B | -2.6247 | |
| 703 | E | B | -2.5446 | |
| 711 | F | B | 0.3910 | |
| 712 | T | B | 0.0242 | |
| 713 | T | B | -0.6822 | |
| 714 | D | B | -1.9127 | |
| 715 | D | B | -1.8536 | |
| 716 | S | B | 0.0000 | |
| 717 | I | B | 0.0000 | |
| 718 | C | B | 0.0000 | |
| 719 | V | B | 0.0000 | |
| 720 | L | B | 0.0000 | |
| 721 | G | B | 0.0000 | |
| 722 | I | B | -0.6288 | |
| 723 | S | B | -1.2665 | |
| 724 | K | B | -3.0301 | |
| 725 | R | B | -3.3694 | |
| 726 | N | B | -2.4315 | |
| 727 | V | B | -0.4201 | |
| 728 | I | B | 0.8735 | |
| 729 | F | B | 0.9203 | |
| 730 | Q | B | -0.1565 | |
| 731 | P | B | -1.2288 | |
| 732 | V | B | 0.0000 | |
| 733 | A | B | -2.0229 | |
| 734 | E | B | -3.1096 | |
| 735 | L | B | 0.0000 | |
| 736 | K | B | -2.9380 | |
| 737 | K | B | -3.2604 | |
| 738 | Q | B | -2.9258 | |
| 739 | T | B | 0.0000 | |
| 740 | D | B | -2.0404 | |
| 741 | F | B | -0.9157 | |
| 742 | E | B | -1.6678 | |
| 743 | H | B | -1.3014 | |
| 744 | R | B | -1.4265 | |
| 745 | I | B | 0.0000 | |
| 746 | P | B | -2.1793 | |
| 747 | K | B | -3.1945 | |
| 748 | E | B | -2.8290 | |
| 749 | Q | B | -1.6812 | |
| 750 | W | B | -0.9963 | |
| 751 | W | B | 0.0000 | |
| 752 | L | B | -0.7741 | |
| 753 | K | B | -1.6119 | |
| 754 | L | B | 0.0000 | |
| 755 | R | B | 0.0000 | |
| 756 | P | B | -0.9893 | |
| 757 | L | B | -0.6976 | |
| 758 | M | B | 0.0000 | |
| 759 | K | B | -1.7959 | |
| 760 | I | B | -0.4808 | |
| 761 | L | B | 0.0000 | |
| 762 | A | B | -0.9724 | |
| 763 | K | B | -1.2919 |
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