| Chain sequence(s) |
A: TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG
B: TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG input PDB |
| Selected Chain(s) | A,B |
| 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 (00:19:20)
[INFO] Main: Simulation completed successfully. (00:19:31)
|
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 | T | A | 0.3914 | |
| 2 | I | A | 0.6932 | |
| 3 | K | A | -1.7010 | |
| 4 | E | A | -2.2750 | |
| 5 | M | A | -1.1943 | |
| 6 | P | A | -1.3008 | |
| 7 | Q | A | -1.1795 | |
| 8 | P | A | -1.3324 | |
| 9 | K | A | -1.7516 | |
| 10 | T | A | -1.0148 | |
| 11 | F | A | -0.1717 | |
| 12 | G | A | -1.1197 | |
| 13 | E | A | -1.7783 | |
| 14 | L | A | -0.4142 | |
| 15 | K | A | -1.0114 | |
| 16 | N | A | 0.0000 | |
| 17 | L | A | -0.3738 | |
| 18 | P | A | -0.2736 | |
| 19 | L | A | -0.1331 | |
| 20 | L | A | -0.5504 | |
| 21 | N | A | -1.3840 | |
| 22 | T | A | -1.5129 | |
| 23 | D | A | -2.4655 | |
| 24 | K | A | -1.7949 | |
| 25 | P | A | -1.0329 | |
| 26 | V | A | -0.3562 | |
| 27 | Q | A | -0.8405 | |
| 28 | A | A | -1.0549 | |
| 29 | L | A | 0.0000 | |
| 30 | M | A | -1.3818 | |
| 31 | K | A | -2.5724 | |
| 32 | I | A | -1.7362 | |
| 33 | A | A | 0.0000 | |
| 34 | D | A | -3.2157 | |
| 35 | E | A | -2.9651 | |
| 36 | L | A | -1.5071 | |
| 37 | G | A | -1.2323 | |
| 38 | E | A | -1.1581 | |
| 39 | I | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | K | A | -0.6977 | |
| 42 | F | A | 0.0000 | |
| 43 | E | A | -0.7250 | |
| 44 | A | A | 0.0000 | |
| 45 | P | A | -0.8929 | |
| 46 | G | A | -0.9358 | |
| 47 | R | A | -0.8473 | |
| 48 | V | A | -0.1912 | |
| 49 | T | A | 0.0000 | |
| 50 | R | A | -0.4055 | |
| 51 | Y | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | S | A | -1.1370 | |
| 55 | Q | A | -1.4454 | |
| 56 | R | A | -1.8612 | |
| 57 | L | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | K | A | -2.3003 | |
| 60 | E | A | -1.4962 | |
| 61 | A | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -1.8511 | |
| 64 | E | A | -1.6370 | |
| 65 | S | A | -1.3835 | |
| 66 | R | A | -1.8758 | |
| 67 | F | A | 0.0000 | |
| 68 | D | A | -0.9862 | |
| 69 | K | A | -0.4768 | |
| 70 | N | A | -0.4589 | |
| 71 | L | A | 0.0000 | |
| 72 | S | A | -0.7119 | |
| 73 | Q | A | -1.1725 | |
| 74 | A | A | -0.6364 | |
| 75 | L | A | -0.9130 | |
| 76 | K | A | -1.9406 | |
| 77 | F | A | -1.1891 | |
| 78 | V | A | 0.0000 | |
| 79 | R | A | -1.6461 | |
| 80 | D | A | -2.2882 | |
| 81 | F | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | G | A | -1.1271 | |
| 84 | D | A | -0.9841 | |
| 85 | G | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.5479 | |
| 88 | T | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | W | A | -0.5529 | |
| 91 | T | A | 0.0000 | |
| 92 | H | A | -1.7168 | |
| 93 | E | A | -1.8771 | |
| 94 | K | A | -2.5362 | |
| 95 | N | A | -1.9347 | |
| 96 | W | A | 0.0000 | |
| 97 | K | A | -1.9518 | |
| 98 | K | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | H | A | -0.3708 | |
| 101 | N | A | -1.0696 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | L | A | 0.5105 | |
| 105 | P | A | -0.0881 | |
| 106 | S | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | Q | A | -1.0451 | |
| 110 | Q | A | -1.0482 | |
| 111 | A | A | -0.8325 | |
| 112 | M | A | 0.0000 | |
| 113 | K | A | -1.5998 | |
| 114 | G | A | -1.3365 | |
| 115 | Y | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | A | A | -0.1700 | |
| 118 | M | A | -0.4641 | |
| 119 | M | A | 0.0000 | |
| 120 | V | A | 0.1167 | |
| 121 | D | A | -0.3491 | |
| 122 | I | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | V | A | -0.1429 | |
| 125 | Q | A | -0.3664 | |
| 126 | L | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | Q | A | -1.2506 | |
| 129 | K | A | -1.2716 | |
| 130 | W | A | 0.0000 | |
| 131 | E | A | -2.3889 | |
| 132 | R | A | -2.5012 | |
| 133 | L | A | -2.3213 | |
| 134 | N | A | -2.6554 | |
| 135 | A | A | -2.2306 | |
| 136 | D | A | -2.7335 | |
| 137 | E | A | -2.6510 | |
| 138 | H | A | -2.4703 | |
| 139 | I | A | 0.0000 | |
| 140 | E | A | -2.8468 | |
| 141 | V | A | 0.0000 | |
| 142 | P | A | -1.9085 | |
| 143 | E | A | -2.6899 | |
| 144 | D | A | 0.0000 | |
| 145 | M | A | 0.0000 | |
| 146 | T | A | -0.8095 | |
| 147 | R | A | -0.9485 | |
| 148 | L | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | C | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | N | A | -0.9422 | |
| 160 | Y | A | -0.5286 | |
| 161 | R | A | -1.2207 | |
| 162 | F | A | 0.0000 | |
| 163 | N | A | -0.7980 | |
| 164 | S | A | 0.0000 | |
| 165 | F | A | -0.2958 | |
| 166 | Y | A | -0.1974 | |
| 167 | R | A | -2.5639 | |
| 168 | D | A | -3.0179 | |
| 169 | Q | A | -2.6097 | |
| 170 | P | A | -1.6956 | |
| 171 | H | A | -1.3637 | |
| 172 | P | A | -0.3826 | |
| 173 | F | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | T | A | -0.4555 | |
| 176 | S | A | 0.0000 | |
| 177 | M | A | 0.0000 | |
| 178 | V | A | -0.4357 | |
| 179 | R | A | -2.0583 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | D | A | -2.3546 | |
| 183 | E | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | M | A | -1.1180 | |
| 186 | N | A | -1.5619 | |
| 187 | K | A | -1.4608 | |
| 188 | L | A | -0.6411 | |
| 189 | Q | A | -1.7202 | |
| 190 | R | A | 0.0000 | |
| 191 | A | A | -1.0425 | |
| 192 | N | A | -2.1589 | |
| 193 | P | A | -2.5061 | |
| 194 | D | A | -3.4682 | |
| 195 | D | A | -3.6494 | |
| 196 | P | A | -2.2759 | |
| 197 | A | A | -1.8857 | |
| 198 | Y | A | -3.1725 | |
| 199 | D | A | -4.6147 | |
| 200 | E | A | -4.3058 | |
| 201 | N | A | -3.6998 | |
| 202 | K | A | -4.4027 | |
| 203 | R | A | -4.6550 | |
| 204 | Q | A | -4.2602 | |
| 205 | F | A | 0.0000 | |
| 206 | Q | A | -3.4263 | |
| 207 | E | A | -3.4804 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | -2.2090 | |
| 210 | K | A | -2.9035 | |
| 211 | V | A | -1.5842 | |
| 212 | M | A | 0.0000 | |
| 213 | N | A | -2.3924 | |
| 214 | D | A | -2.9476 | |
| 215 | L | A | -1.7669 | |
| 216 | V | A | 0.0000 | |
| 217 | D | A | -3.1727 | |
| 218 | K | A | -3.1288 | |
| 219 | I | A | -1.9855 | |
| 220 | I | A | 0.0000 | |
| 221 | A | A | -2.2961 | |
| 222 | D | A | -3.0475 | |
| 223 | R | A | 0.0000 | |
| 224 | K | A | -2.5947 | |
| 225 | A | A | -1.7283 | |
| 226 | S | A | -1.9755 | |
| 227 | G | A | -2.4809 | |
| 228 | E | A | -3.1267 | |
| 229 | Q | A | -2.9645 | |
| 230 | S | A | -2.1672 | |
| 231 | D | A | -2.3108 | |
| 232 | D | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | H | A | -1.3738 | |
| 237 | M | A | 0.0000 | |
| 238 | L | A | -1.4979 | |
| 239 | N | A | -1.9355 | |
| 240 | G | A | -1.8517 | |
| 241 | K | A | -2.9937 | |
| 242 | D | A | 0.0000 | |
| 243 | P | A | -2.3657 | |
| 244 | E | A | -2.8491 | |
| 245 | T | A | -2.1772 | |
| 246 | G | A | -2.1980 | |
| 247 | E | A | -2.9258 | |
| 248 | P | A | -2.4455 | |
| 249 | L | A | 0.0000 | |
| 250 | D | A | -2.9480 | |
| 251 | D | A | -2.6940 | |
| 252 | E | A | -2.6875 | |
| 253 | N | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | R | A | -1.7499 | |
| 256 | Y | A | -0.6087 | |
| 257 | Q | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | F | A | 0.2939 | |
| 262 | L | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | A | A | 0.1756 | |
| 265 | G | A | -0.0890 | |
| 266 | H | A | 0.0000 | |
| 267 | E | A | -0.2065 | |
| 268 | T | A | -0.1121 | |
| 269 | T | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | S | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | F | A | -0.2372 | |
| 280 | L | A | 0.0000 | |
| 281 | V | A | -1.0782 | |
| 282 | K | A | -1.0278 | |
| 283 | N | A | -1.0204 | |
| 284 | P | A | -1.3217 | |
| 285 | H | A | -1.8531 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | -1.7166 | |
| 288 | Q | A | -2.7776 | |
| 289 | K | A | -2.5516 | |
| 290 | A | A | 0.0000 | |
| 291 | A | A | -2.1843 | |
| 292 | E | A | -2.9403 | |
| 293 | E | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | -1.0870 | |
| 296 | R | A | -1.7726 | |
| 297 | V | A | -1.3679 | |
| 298 | L | A | 0.0000 | |
| 299 | V | A | 0.8893 | |
| 300 | D | A | -0.1673 | |
| 301 | P | A | -0.0567 | |
| 302 | V | A | 0.3308 | |
| 303 | P | A | 0.0000 | |
| 304 | S | A | -0.8642 | |
| 305 | Y | A | 0.0000 | |
| 306 | K | A | -2.7442 | |
| 307 | Q | A | -1.6792 | |
| 308 | V | A | 0.0000 | |
| 309 | K | A | -3.1674 | |
| 310 | Q | A | -2.9097 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -2.6164 | |
| 313 | Y | A | -1.6749 | |
| 314 | V | A | 0.0000 | |
| 315 | G | A | -1.2053 | |
| 316 | M | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | N | A | -0.3409 | |
| 320 | E | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | W | A | 0.0467 | |
| 326 | P | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | A | A | 0.1560 | |
| 329 | P | A | 0.0000 | |
| 330 | A | A | 0.2813 | |
| 331 | F | A | 0.3196 | |
| 332 | S | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | -1.2507 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.9717 | |
| 337 | E | A | -4.2271 | |
| 338 | D | A | -4.2619 | |
| 339 | T | A | -2.0255 | |
| 340 | V | A | -0.1499 | |
| 341 | L | A | 0.0000 | |
| 342 | G | A | -0.6771 | |
| 343 | G | A | -0.1978 | |
| 344 | E | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | P | A | -0.7793 | |
| 347 | L | A | 0.0000 | |
| 348 | E | A | -4.0980 | |
| 349 | K | A | -4.5459 | |
| 350 | G | A | -2.7669 | |
| 351 | D | A | -2.1591 | |
| 352 | E | A | -0.8806 | |
| 353 | L | A | 0.0000 | |
| 354 | M | A | 0.0993 | |
| 355 | V | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | Q | A | -0.9166 | |
| 360 | L | A | 0.0000 | |
| 361 | H | A | 0.0000 | |
| 362 | R | A | -1.4696 | |
| 363 | D | A | -1.4428 | |
| 364 | K | A | -2.6548 | |
| 365 | T | A | -1.1612 | |
| 366 | I | A | -0.4678 | |
| 367 | W | A | -1.2872 | |
| 368 | G | A | -2.1843 | |
| 369 | D | A | -3.5476 | |
| 370 | D | A | -3.7459 | |
| 371 | V | A | 0.0000 | |
| 372 | E | A | -3.5414 | |
| 373 | E | A | -3.1383 | |
| 374 | F | A | 0.0000 | |
| 375 | R | A | -1.8512 | |
| 376 | P | A | 0.0000 | |
| 377 | E | A | -1.7733 | |
| 378 | R | A | -1.5331 | |
| 379 | F | A | 0.0000 | |
| 380 | E | A | -3.0130 | |
| 381 | N | A | -2.4091 | |
| 382 | P | A | -1.4782 | |
| 383 | S | A | -0.9867 | |
| 384 | A | A | -0.7839 | |
| 385 | I | A | -0.2507 | |
| 386 | P | A | -0.6147 | |
| 387 | Q | A | -1.5549 | |
| 388 | H | A | -1.3775 | |
| 389 | A | A | 0.0000 | |
| 390 | F | A | 0.0073 | |
| 391 | K | A | -0.1590 | |
| 392 | P | A | 0.1065 | |
| 393 | F | A | 0.2847 | |
| 394 | G | A | -0.0386 | |
| 395 | N | A | -0.5834 | |
| 396 | G | A | -1.0685 | |
| 397 | Q | A | -0.7079 | |
| 398 | R | A | -0.3510 | |
| 399 | A | A | -0.0359 | |
| 400 | C | A | 0.3632 | |
| 401 | I | A | 0.4855 | |
| 402 | G | A | 0.0557 | |
| 403 | Q | A | -0.3833 | |
| 404 | Q | A | -0.5099 | |
| 405 | F | A | 0.0000 | |
| 406 | A | A | -0.1008 | |
| 407 | L | A | -0.0830 | |
| 408 | H | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | A | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | 0.0000 | |
| 420 | H | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | D | A | -3.0495 | |
| 423 | F | A | 0.0000 | |
| 424 | E | A | -2.8531 | |
| 425 | D | A | -1.7813 | |
| 426 | H | A | -1.5146 | |
| 427 | T | A | -1.4033 | |
| 428 | N | A | -2.1016 | |
| 429 | Y | A | 0.0000 | |
| 430 | E | A | -2.6486 | |
| 431 | L | A | -2.0199 | |
| 432 | D | A | -2.9256 | |
| 433 | I | A | 0.0000 | |
| 434 | K | A | -2.4531 | |
| 435 | E | A | 0.0000 | |
| 436 | T | A | -0.8741 | |
| 437 | L | A | -0.0232 | |
| 438 | T | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | K | A | -1.3301 | |
| 441 | P | A | 0.0000 | |
| 442 | E | A | -3.4435 | |
| 443 | G | A | -2.5152 | |
| 444 | F | A | 0.0000 | |
| 445 | V | A | -1.6618 | |
| 446 | V | A | 0.0000 | |
| 447 | K | A | -2.5684 | |
| 448 | A | A | -2.3631 | |
| 449 | K | A | -3.3445 | |
| 450 | S | A | -2.5878 | |
| 451 | K | A | -2.3979 | |
| 452 | K | A | -2.1718 | |
| 453 | I | A | -0.6346 | |
| 454 | P | A | -0.5970 | |
| 455 | L | A | -0.3500 | |
| 456 | G | A | -0.3999 | |
| 457 | G | A | -0.4445 | |
| 1 | T | B | 0.5039 | |
| 2 | I | B | 0.9121 | |
| 3 | K | B | -1.2256 | |
| 4 | E | B | -2.0732 | |
| 5 | M | B | -1.1034 | |
| 6 | P | B | -1.1327 | |
| 7 | Q | B | -1.1288 | |
| 8 | P | B | -1.2216 | |
| 9 | K | B | -1.6628 | |
| 10 | T | B | -0.9104 | |
| 11 | F | B | -0.0761 | |
| 12 | G | B | -0.9830 | |
| 13 | E | B | -1.6005 | |
| 14 | L | B | -0.0194 | |
| 15 | K | B | -1.0292 | |
| 16 | N | B | 0.0000 | |
| 17 | L | B | 0.2939 | |
| 18 | P | B | 0.1885 | |
| 19 | L | B | 0.1637 | |
| 20 | L | B | -0.4831 | |
| 21 | N | B | -1.4697 | |
| 22 | T | B | -1.7584 | |
| 23 | D | B | -2.8775 | |
| 24 | K | B | -2.3527 | |
| 25 | P | B | -1.3636 | |
| 26 | V | B | -0.7201 | |
| 27 | Q | B | -1.1988 | |
| 28 | A | B | -1.1523 | |
| 29 | L | B | 0.0000 | |
| 30 | M | B | -1.4946 | |
| 31 | K | B | -2.6904 | |
| 32 | I | B | 0.0000 | |
| 33 | A | B | 0.0000 | |
| 34 | D | B | -3.3183 | |
| 35 | E | B | -3.0534 | |
| 36 | L | B | -1.6480 | |
| 37 | G | B | -1.4492 | |
| 38 | E | B | -1.5638 | |
| 39 | I | B | 0.0000 | |
| 40 | F | B | 0.0000 | |
| 41 | K | B | -0.6662 | |
| 42 | F | B | 0.0000 | |
| 43 | E | B | -0.6071 | |
| 44 | A | B | 0.0000 | |
| 45 | P | B | -1.0304 | |
| 46 | G | B | -1.2229 | |
| 47 | R | B | -1.5577 | |
| 48 | V | B | -0.4979 | |
| 49 | T | B | 0.0000 | |
| 50 | R | B | -0.4819 | |
| 51 | Y | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | S | B | -1.0183 | |
| 55 | Q | B | -1.3500 | |
| 56 | R | B | -1.8107 | |
| 57 | L | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | K | B | -1.8201 | |
| 60 | E | B | -1.4943 | |
| 61 | A | B | 0.0000 | |
| 62 | C | B | 0.0000 | |
| 63 | D | B | -2.0695 | |
| 64 | E | B | -2.6274 | |
| 65 | S | B | -1.7003 | |
| 66 | R | B | -2.1928 | |
| 67 | F | B | 0.0000 | |
| 68 | D | B | -1.4299 | |
| 69 | K | B | -0.7602 | |
| 70 | N | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | S | B | -0.8652 | |
| 73 | Q | B | -1.4478 | |
| 74 | A | B | -0.7346 | |
| 75 | L | B | -0.8811 | |
| 76 | K | B | -1.8952 | |
| 77 | F | B | -1.2384 | |
| 78 | V | B | 0.0000 | |
| 79 | R | B | -1.6576 | |
| 80 | D | B | -2.2313 | |
| 81 | F | B | 0.0000 | |
| 82 | A | B | 0.0000 | |
| 83 | G | B | -1.0161 | |
| 84 | D | B | -0.8811 | |
| 85 | G | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | F | B | 0.5648 | |
| 88 | T | B | 0.0000 | |
| 89 | S | B | 0.0000 | |
| 90 | W | B | -0.5146 | |
| 91 | T | B | -1.1811 | |
| 92 | H | B | -1.7311 | |
| 93 | E | B | -1.9194 | |
| 94 | K | B | -2.5641 | |
| 95 | N | B | -1.9215 | |
| 96 | W | B | 0.0000 | |
| 97 | K | B | -2.1347 | |
| 98 | K | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | H | B | 0.0000 | |
| 101 | N | B | -0.8205 | |
| 102 | I | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | L | B | 0.5642 | |
| 105 | P | B | -0.2885 | |
| 106 | S | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | S | B | -1.1881 | |
| 109 | Q | B | -2.1735 | |
| 110 | Q | B | -2.3223 | |
| 111 | A | B | -1.7562 | |
| 112 | M | B | 0.0000 | |
| 113 | K | B | -2.5329 | |
| 114 | G | B | -1.6034 | |
| 115 | Y | B | 0.0000 | |
| 116 | H | B | -0.6528 | |
| 117 | A | B | -0.2805 | |
| 118 | M | B | -0.3613 | |
| 119 | M | B | 0.0000 | |
| 120 | V | B | 0.0374 | |
| 121 | D | B | -0.4529 | |
| 122 | I | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | V | B | -0.3128 | |
| 125 | Q | B | -0.4981 | |
| 126 | L | B | 0.0000 | |
| 127 | V | B | 0.0000 | |
| 128 | Q | B | -1.5831 | |
| 129 | K | B | -1.3333 | |
| 130 | W | B | 0.0000 | |
| 131 | E | B | -2.5730 | |
| 132 | R | B | -2.7261 | |
| 133 | L | B | -2.4552 | |
| 134 | N | B | -2.5573 | |
| 135 | A | B | -2.3209 | |
| 136 | D | B | -2.8045 | |
| 137 | E | B | -2.7716 | |
| 138 | H | B | -2.3952 | |
| 139 | I | B | 0.0000 | |
| 140 | E | B | -1.6427 | |
| 141 | V | B | 0.0000 | |
| 142 | P | B | 0.0000 | |
| 143 | E | B | -1.8065 | |
| 144 | D | B | 0.0000 | |
| 145 | M | B | 0.0000 | |
| 146 | T | B | -0.7331 | |
| 147 | R | B | -0.7848 | |
| 148 | L | B | 0.0000 | |
| 149 | T | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | D | B | 0.0000 | |
| 152 | T | B | 0.0000 | |
| 153 | I | B | 0.0000 | |
| 154 | G | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | C | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
| 158 | F | B | 0.0000 | |
| 159 | N | B | -1.2641 | |
| 160 | Y | B | -0.7344 | |
| 161 | R | B | -1.2886 | |
| 162 | F | B | 0.0000 | |
| 163 | N | B | -0.4332 | |
| 164 | S | B | 0.0000 | |
| 165 | F | B | -0.1261 | |
| 166 | Y | B | 0.4130 | |
| 167 | R | B | -1.3222 | |
| 168 | D | B | -2.4551 | |
| 169 | Q | B | -2.2373 | |
| 170 | P | B | -1.2369 | |
| 171 | H | B | -1.0672 | |
| 172 | P | B | -0.2323 | |
| 173 | F | B | 0.0000 | |
| 174 | I | B | 0.0000 | |
| 175 | T | B | -0.1727 | |
| 176 | S | B | 0.0000 | |
| 177 | M | B | 0.0000 | |
| 178 | V | B | 0.3045 | |
| 179 | R | B | -0.9652 | |
| 180 | A | B | 0.0000 | |
| 181 | L | B | -0.4409 | |
| 182 | D | B | -1.5262 | |
| 183 | E | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | M | B | -0.9232 | |
| 186 | N | B | -1.3973 | |
| 187 | K | B | -1.3168 | |
| 188 | L | B | -0.5259 | |
| 189 | Q | B | -1.6187 | |
| 190 | R | B | -1.5750 | |
| 191 | A | B | -1.2628 | |
| 192 | N | B | -2.2688 | |
| 193 | P | B | -2.2985 | |
| 194 | D | B | -3.0022 | |
| 195 | D | B | -2.3250 | |
| 196 | P | B | -1.8827 | |
| 197 | A | B | -1.6255 | |
| 198 | Y | B | -2.6200 | |
| 199 | D | B | -3.7819 | |
| 200 | E | B | -3.8220 | |
| 201 | N | B | -3.3301 | |
| 202 | K | B | -4.1479 | |
| 203 | R | B | -4.4092 | |
| 204 | Q | B | -3.6908 | |
| 205 | F | B | 0.0000 | |
| 206 | Q | B | -3.5447 | |
| 207 | E | B | -3.4173 | |
| 208 | D | B | 0.0000 | |
| 209 | I | B | -2.1098 | |
| 210 | K | B | -2.6378 | |
| 211 | V | B | -1.1539 | |
| 212 | M | B | 0.0000 | |
| 213 | N | B | -2.0725 | |
| 214 | D | B | -2.7331 | |
| 215 | L | B | -1.6253 | |
| 216 | V | B | 0.0000 | |
| 217 | D | B | -2.8007 | |
| 218 | K | B | -3.1200 | |
| 219 | I | B | -1.9881 | |
| 220 | I | B | 0.0000 | |
| 221 | A | B | -2.2673 | |
| 222 | D | B | -3.0278 | |
| 223 | R | B | 0.0000 | |
| 224 | K | B | -2.7718 | |
| 225 | A | B | -1.7376 | |
| 226 | S | B | -1.8961 | |
| 227 | G | B | -2.1524 | |
| 228 | E | B | -2.6801 | |
| 229 | Q | B | -2.5378 | |
| 230 | S | B | -2.0811 | |
| 231 | D | B | -2.4234 | |
| 232 | D | B | 0.0000 | |
| 233 | L | B | 0.0000 | |
| 234 | L | B | 0.0000 | |
| 235 | T | B | -1.6398 | |
| 236 | H | B | -1.3358 | |
| 237 | M | B | 0.0000 | |
| 238 | L | B | -1.3546 | |
| 239 | N | B | -1.7482 | |
| 240 | G | B | -1.7754 | |
| 241 | K | B | -2.9005 | |
| 242 | D | B | 0.0000 | |
| 243 | P | B | -1.9809 | |
| 244 | E | B | -2.6546 | |
| 245 | T | B | -1.9874 | |
| 246 | G | B | -2.1546 | |
| 247 | E | B | -2.6321 | |
| 248 | P | B | -2.2637 | |
| 249 | L | B | 0.0000 | |
| 250 | D | B | -2.7768 | |
| 251 | D | B | -2.6469 | |
| 252 | E | B | -2.2920 | |
| 253 | N | B | 0.0000 | |
| 254 | I | B | 0.0000 | |
| 255 | R | B | -1.4927 | |
| 256 | Y | B | -0.4621 | |
| 257 | Q | B | 0.0000 | |
| 258 | I | B | 0.0000 | |
| 259 | I | B | 0.0000 | |
| 260 | T | B | 0.0000 | |
| 261 | F | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | I | B | 0.0000 | |
| 264 | A | B | 0.0825 | |
| 265 | G | B | -0.1974 | |
| 266 | H | B | 0.0000 | |
| 267 | E | B | -0.5550 | |
| 268 | T | B | -0.1956 | |
| 269 | T | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | G | B | 0.0000 | |
| 272 | L | B | 0.0000 | |
| 273 | L | B | 0.0000 | |
| 274 | S | B | 0.0000 | |
| 275 | F | B | 0.0000 | |
| 276 | A | B | 0.0000 | |
| 277 | L | B | 0.0000 | |
| 278 | Y | B | -0.1213 | |
| 279 | F | B | 0.0000 | |
| 280 | L | B | 0.0000 | |
| 281 | V | B | -1.0905 | |
| 282 | K | B | -1.1337 | |
| 283 | N | B | -1.0765 | |
| 284 | P | B | -1.3762 | |
| 285 | H | B | -1.8935 | |
| 286 | V | B | 0.0000 | |
| 287 | L | B | -1.7125 | |
| 288 | Q | B | -2.7618 | |
| 289 | K | B | -2.6812 | |
| 290 | A | B | 0.0000 | |
| 291 | A | B | -2.1530 | |
| 292 | E | B | -2.9902 | |
| 293 | E | B | 0.0000 | |
| 294 | A | B | 0.0000 | |
| 295 | A | B | -1.1077 | |
| 296 | R | B | -1.7716 | |
| 297 | V | B | -1.1415 | |
| 298 | L | B | 0.0000 | |
| 299 | V | B | 0.7929 | |
| 300 | D | B | -0.3659 | |
| 301 | P | B | -0.3264 | |
| 302 | V | B | -0.0148 | |
| 303 | P | B | 0.0000 | |
| 304 | S | B | -0.9623 | |
| 305 | Y | B | -1.6417 | |
| 306 | K | B | -2.6719 | |
| 307 | Q | B | -1.5911 | |
| 308 | V | B | 0.0000 | |
| 309 | K | B | -3.0371 | |
| 310 | Q | B | -2.6194 | |
| 311 | L | B | 0.0000 | |
| 312 | K | B | -2.5826 | |
| 313 | Y | B | 0.0000 | |
| 314 | V | B | 0.0000 | |
| 315 | G | B | -1.2381 | |
| 316 | M | B | 0.0000 | |
| 317 | V | B | 0.0000 | |
| 318 | L | B | 0.0000 | |
| 319 | N | B | -0.4397 | |
| 320 | E | B | 0.0000 | |
| 321 | A | B | 0.0000 | |
| 322 | L | B | 0.0000 | |
| 323 | R | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | W | B | 0.0632 | |
| 326 | P | B | 0.0000 | |
| 327 | T | B | 0.0000 | |
| 328 | A | B | 0.1117 | |
| 329 | P | B | 0.0000 | |
| 330 | A | B | 0.2810 | |
| 331 | F | B | 0.3192 | |
| 332 | S | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | Y | B | -1.3687 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -3.2580 | |
| 337 | E | B | -4.2151 | |
| 338 | D | B | -4.2445 | |
| 339 | T | B | -1.9581 | |
| 340 | V | B | -0.2080 | |
| 341 | L | B | 0.0000 | |
| 342 | G | B | -0.3881 | |
| 343 | G | B | -0.0874 | |
| 344 | E | B | -0.0757 | |
| 345 | Y | B | 0.0000 | |
| 346 | P | B | -1.0320 | |
| 347 | L | B | 0.0000 | |
| 348 | E | B | -4.1497 | |
| 349 | K | B | -4.6456 | |
| 350 | G | B | -2.7949 | |
| 351 | D | B | -2.3938 | |
| 352 | E | B | -1.5304 | |
| 353 | L | B | 0.0000 | |
| 354 | M | B | 0.0063 | |
| 355 | V | B | 0.0000 | |
| 356 | L | B | 0.0000 | |
| 357 | I | B | 0.0000 | |
| 358 | P | B | 0.0000 | |
| 359 | Q | B | -0.7825 | |
| 360 | L | B | 0.0000 | |
| 361 | H | B | 0.0000 | |
| 362 | R | B | 0.0000 | |
| 363 | D | B | 0.0000 | |
| 364 | K | B | -1.3946 | |
| 365 | T | B | -0.6202 | |
| 366 | I | B | -0.1144 | |
| 367 | W | B | -0.5770 | |
| 368 | G | B | -1.5206 | |
| 369 | D | B | -2.9101 | |
| 370 | D | B | -3.6952 | |
| 371 | V | B | 0.0000 | |
| 372 | E | B | -3.5218 | |
| 373 | E | B | -3.6508 | |
| 374 | F | B | -2.1579 | |
| 375 | R | B | -2.4388 | |
| 376 | P | B | 0.0000 | |
| 377 | E | B | -1.8053 | |
| 378 | R | B | -1.3574 | |
| 379 | F | B | 0.0000 | |
| 380 | E | B | -2.5670 | |
| 381 | N | B | -1.6138 | |
| 382 | P | B | -0.8397 | |
| 383 | S | B | -0.7144 | |
| 384 | A | B | -0.6563 | |
| 385 | I | B | -0.3223 | |
| 386 | P | B | -0.7160 | |
| 387 | Q | B | -1.7036 | |
| 388 | H | B | -1.1505 | |
| 389 | A | B | 0.0000 | |
| 390 | F | B | 0.0729 | |
| 391 | K | B | 0.0000 | |
| 392 | P | B | 0.2142 | |
| 393 | F | B | 0.3419 | |
| 394 | G | B | -0.1343 | |
| 395 | N | B | -1.0444 | |
| 396 | G | B | -1.5318 | |
| 397 | Q | B | -1.8324 | |
| 398 | R | B | -0.9702 | |
| 399 | A | B | -0.3544 | |
| 400 | C | B | 0.2416 | |
| 401 | I | B | 0.3603 | |
| 402 | G | B | 0.0914 | |
| 403 | Q | B | -0.3818 | |
| 404 | Q | B | -0.7911 | |
| 405 | F | B | 0.0000 | |
| 406 | A | B | -0.0612 | |
| 407 | L | B | -0.0007 | |
| 408 | H | B | 0.0000 | |
| 409 | E | B | 0.0000 | |
| 410 | A | B | 0.0000 | |
| 411 | T | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | V | B | 0.0000 | |
| 414 | L | B | 0.0000 | |
| 415 | G | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | M | B | 0.0000 | |
| 418 | L | B | 0.0000 | |
| 419 | K | B | 0.0000 | |
| 420 | H | B | 0.0000 | |
| 421 | F | B | 0.0000 | |
| 422 | D | B | -2.4710 | |
| 423 | F | B | 0.0000 | |
| 424 | E | B | -2.7628 | |
| 425 | D | B | -1.7081 | |
| 426 | H | B | -1.4978 | |
| 427 | T | B | -1.3774 | |
| 428 | N | B | -2.0790 | |
| 429 | Y | B | 0.0000 | |
| 430 | E | B | -2.5412 | |
| 431 | L | B | -1.8270 | |
| 432 | D | B | -2.8137 | |
| 433 | I | B | 0.0000 | |
| 434 | K | B | -2.6019 | |
| 435 | E | B | -1.7562 | |
| 436 | T | B | -0.9729 | |
| 437 | L | B | -0.0317 | |
| 438 | T | B | 0.0000 | |
| 439 | L | B | 0.0000 | |
| 440 | K | B | -1.2684 | |
| 441 | P | B | 0.0000 | |
| 442 | E | B | -2.6834 | |
| 443 | G | B | -1.9072 | |
| 444 | F | B | 0.0000 | |
| 445 | V | B | -1.2474 | |
| 446 | V | B | 0.0000 | |
| 447 | K | B | -2.5782 | |
| 448 | A | B | -2.3508 | |
| 449 | K | B | -3.0744 | |
| 450 | S | B | -2.4161 | |
| 451 | K | B | -2.1572 | |
| 452 | K | B | -2.1216 | |
| 453 | I | B | -0.5675 | |
| 454 | P | B | -0.5708 | |
| 455 | L | B | -0.5014 | |
| 456 | G | B | -0.5701 | |
| 457 | G | B | -0.6042 |
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