| Chain sequence(s) |
A: QVQLVQSGAEVKKPGASVKVSCKASGLTIEDYYMHWVRQAPGQGLEWMGWIDPENGDTEYGPKFQGRVTMTRDTSINTAYMELSRLRSDDTAVYYCAVHNAHYGTWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGGGSGGGGSDKDCEMKRTTLDSPLGKLELSGCEQGLHEIIFLGKGTSAADAVEVPAPAAVLGGPEPLMQATAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISYSHLAALAGNPAATAAVKTALSGNPVPILIPCHRVVQGDLDVGGYEGGLAVKEWLLAHEGHRLGKPGLG
B: DVVMTQSPLSLPVTLGQPASISCRSSQSLLHSSGNTYLEWYQQRPGQSPRPLIYKISTRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:01)
[INFO] Main: Simulation completed successfully. (00:11:07)
|
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 | Q | A | -1.3485 | |
| 2 | V | A | -0.6374 | |
| 3 | Q | A | -1.2573 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | -0.0138 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5743 | |
| 8 | G | A | -0.9288 | |
| 9 | A | A | -0.8799 | |
| 10 | E | A | -1.4872 | |
| 11 | V | A | -1.0126 | |
| 12 | K | A | -1.6407 | |
| 13 | K | A | -2.5483 | |
| 14 | P | A | -2.4137 | |
| 15 | G | A | -2.0017 | |
| 16 | A | A | -1.6068 | |
| 17 | S | A | -1.6789 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.0130 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.5891 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.6436 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.6933 | |
| 26 | G | A | -0.8814 | |
| 27 | L | A | -0.6882 | |
| 28 | T | A | -0.7546 | |
| 29 | I | A | 0.0000 | |
| 30 | E | A | -2.2610 | |
| 31 | D | A | -2.3004 | |
| 32 | Y | A | -1.0311 | |
| 33 | Y | A | -0.4125 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.4293 | |
| 39 | Q | A | -0.6818 | |
| 40 | A | A | -1.0317 | |
| 41 | P | A | -1.0149 | |
| 42 | G | A | -1.2110 | |
| 43 | Q | A | -1.7480 | |
| 44 | G | A | -1.1207 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.7030 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | W | A | -0.2510 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -2.0422 | |
| 53 | P | A | 0.0000 | |
| 54 | E | A | -3.4412 | |
| 55 | N | A | -2.9431 | |
| 56 | G | A | -2.4077 | |
| 57 | D | A | -2.6513 | |
| 58 | T | A | -1.2821 | |
| 59 | E | A | -0.8814 | |
| 60 | Y | A | -0.6839 | |
| 61 | G | A | 0.0000 | |
| 62 | P | A | -1.6238 | |
| 63 | K | A | -2.2342 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.0957 | |
| 66 | G | A | -1.6026 | |
| 67 | R | A | -1.5803 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.7493 | |
| 70 | M | A | 0.0000 | |
| 71 | T | A | -0.7972 | |
| 72 | R | A | -1.4634 | |
| 73 | D | A | -1.1341 | |
| 74 | T | A | -0.8588 | |
| 75 | S | A | -0.0182 | |
| 76 | I | A | 0.5588 | |
| 77 | N | A | -0.2999 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.7438 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.2639 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.7729 | |
| 85 | R | A | -2.7141 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.3737 | |
| 88 | S | A | -2.3228 | |
| 89 | D | A | -2.5381 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -1.0016 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1353 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | A | A | -0.1410 | |
| 102 | H | A | -0.5271 | |
| 103 | Y | A | 0.7532 | |
| 104 | G | A | 0.1471 | |
| 105 | T | A | 0.0000 | |
| 106 | W | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | A | A | 0.3756 | |
| 109 | Y | A | 0.1724 | |
| 110 | W | A | -0.1003 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3279 | |
| 113 | G | A | -0.5734 | |
| 114 | T | A | 0.0000 | |
| 115 | L | A | -0.1979 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | -1.0011 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -1.3581 | |
| 120 | S | A | -0.9533 | |
| 121 | A | A | -0.5483 | |
| 122 | S | A | -0.3121 | |
| 123 | T | A | -0.1386 | |
| 124 | K | A | -0.3076 | |
| 125 | G | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.4464 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | -0.4632 | |
| 130 | P | A | -0.9026 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.2467 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.8885 | |
| 135 | S | A | -0.5177 | |
| 136 | K | A | -0.9313 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.6596 | |
| 139 | S | A | -0.6823 | |
| 140 | G | A | -0.7977 | |
| 141 | G | A | -0.8656 | |
| 142 | T | A | -0.6061 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | D | A | -0.2357 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.4125 | |
| 156 | P | A | -0.5974 | |
| 157 | V | A | -0.3215 | |
| 158 | T | A | -0.2795 | |
| 159 | V | A | -0.0694 | |
| 160 | S | A | -0.1933 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.4839 | |
| 163 | S | A | -0.4882 | |
| 164 | G | A | -0.4737 | |
| 165 | A | A | -0.2192 | |
| 166 | L | A | 0.0412 | |
| 167 | T | A | -0.1507 | |
| 168 | S | A | -0.1615 | |
| 169 | G | A | -0.1851 | |
| 170 | V | A | 0.2007 | |
| 171 | H | A | -0.3014 | |
| 172 | T | A | 0.0345 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.3110 | |
| 175 | A | A | 0.3051 | |
| 176 | V | A | 0.5793 | |
| 177 | L | A | 1.3102 | |
| 178 | Q | A | 0.3255 | |
| 179 | S | A | -0.0456 | |
| 180 | S | A | -0.1948 | |
| 181 | G | A | 0.0590 | |
| 182 | L | A | 0.2556 | |
| 183 | Y | A | 0.5836 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.1219 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6038 | |
| 193 | S | A | -0.5771 | |
| 194 | S | A | -0.5750 | |
| 195 | S | A | -0.5410 | |
| 196 | L | A | -0.7948 | |
| 197 | G | A | -0.9432 | |
| 198 | T | A | -0.6391 | |
| 199 | Q | A | -1.0528 | |
| 200 | T | A | -0.9063 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -0.6408 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -0.7130 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -0.9310 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -1.9495 | |
| 209 | P | A | -1.1248 | |
| 210 | S | A | 0.0000 | |
| 211 | N | A | -1.1261 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -1.2744 | |
| 214 | V | A | 0.0000 | |
| 215 | D | A | -1.3053 | |
| 216 | K | A | -1.3720 | |
| 217 | K | A | -1.7279 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.6981 | |
| 220 | P | A | -1.8024 | |
| 221 | K | A | -2.2673 | |
| 222 | S | A | -1.0881 | |
| 223 | C | A | -0.3981 | |
| 224 | G | A | -0.7969 | |
| 225 | G | A | -0.9225 | |
| 226 | G | A | -1.0797 | |
| 227 | G | A | -1.2328 | |
| 228 | S | A | -1.0318 | |
| 229 | G | A | -1.1915 | |
| 230 | G | A | -1.2002 | |
| 231 | G | A | -1.5863 | |
| 232 | G | A | -1.8007 | |
| 233 | S | A | -2.3879 | |
| 234 | D | A | -3.4457 | |
| 235 | K | A | -3.8258 | |
| 236 | D | A | -3.4572 | |
| 237 | C | A | -2.6968 | |
| 238 | E | A | -2.5626 | |
| 239 | M | A | -1.5151 | |
| 240 | K | A | -1.2039 | |
| 241 | R | A | -1.0639 | |
| 242 | T | A | 0.0000 | |
| 243 | T | A | -0.8367 | |
| 244 | L | A | 0.0000 | |
| 245 | D | A | -1.7807 | |
| 246 | S | A | 0.0000 | |
| 247 | P | A | -0.7175 | |
| 248 | L | A | 0.0000 | |
| 249 | G | A | -1.0476 | |
| 250 | K | A | -1.4065 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | -0.4081 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | G | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | E | A | -2.9224 | |
| 258 | Q | A | -2.4687 | |
| 259 | G | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | H | A | -0.5958 | |
| 262 | E | A | -0.5275 | |
| 263 | I | A | 0.0000 | |
| 264 | I | A | 0.5886 | |
| 265 | F | A | 0.1276 | |
| 266 | L | A | -0.1936 | |
| 267 | G | A | -1.0856 | |
| 268 | K | A | -1.9802 | |
| 269 | G | A | -1.2218 | |
| 270 | T | A | -1.0700 | |
| 271 | S | A | -0.9030 | |
| 272 | A | A | -0.4283 | |
| 273 | A | A | -0.5446 | |
| 274 | D | A | -1.5222 | |
| 275 | A | A | -0.4623 | |
| 276 | V | A | 0.3126 | |
| 277 | E | A | -1.3834 | |
| 278 | V | A | 0.0000 | |
| 279 | P | A | -0.7236 | |
| 280 | A | A | -0.7132 | |
| 281 | P | A | -0.3312 | |
| 282 | A | A | 0.3028 | |
| 283 | A | A | 0.6242 | |
| 284 | V | A | 0.7320 | |
| 285 | L | A | 1.2807 | |
| 286 | G | A | -0.0428 | |
| 287 | G | A | -1.0315 | |
| 288 | P | A | 0.0000 | |
| 289 | E | A | -2.4850 | |
| 290 | P | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | M | A | -0.2563 | |
| 293 | Q | A | -0.3069 | |
| 294 | A | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | A | A | 0.1860 | |
| 297 | W | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | N | A | -0.5888 | |
| 300 | A | A | 0.0000 | |
| 301 | Y | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | H | A | -1.3235 | |
| 304 | Q | A | -1.8015 | |
| 305 | P | A | -1.9527 | |
| 306 | E | A | -2.7039 | |
| 307 | A | A | -2.2337 | |
| 308 | I | A | 0.0000 | |
| 309 | E | A | -2.8299 | |
| 310 | E | A | -2.5664 | |
| 311 | F | A | -0.7749 | |
| 312 | P | A | -0.2881 | |
| 313 | V | A | 0.6394 | |
| 314 | P | A | 0.0000 | |
| 315 | A | A | -0.3919 | |
| 316 | L | A | -0.1989 | |
| 317 | H | A | -1.0890 | |
| 318 | H | A | -0.8672 | |
| 319 | P | A | -1.3477 | |
| 320 | V | A | -1.1505 | |
| 321 | F | A | 0.0000 | |
| 322 | Q | A | -2.3177 | |
| 323 | Q | A | -2.7377 | |
| 324 | E | A | -2.8207 | |
| 325 | S | A | -1.4551 | |
| 326 | F | A | -0.5995 | |
| 327 | T | A | -0.8348 | |
| 328 | R | A | -1.4424 | |
| 329 | Q | A | -0.9269 | |
| 330 | V | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | W | A | -0.3459 | |
| 333 | K | A | -0.6289 | |
| 334 | L | A | 0.0000 | |
| 335 | L | A | -0.4392 | |
| 336 | K | A | -1.3182 | |
| 337 | V | A | -0.0212 | |
| 338 | V | A | 0.0000 | |
| 339 | K | A | -1.6893 | |
| 340 | F | A | -1.1364 | |
| 341 | G | A | -1.3389 | |
| 342 | E | A | -1.5602 | |
| 343 | V | A | -0.6174 | |
| 344 | I | A | 0.0000 | |
| 345 | S | A | -0.9621 | |
| 346 | Y | A | -0.7663 | |
| 347 | S | A | -1.0292 | |
| 348 | H | A | -1.0417 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -0.8288 | |
| 352 | L | A | -0.2891 | |
| 353 | A | A | -0.7587 | |
| 354 | G | A | -1.0827 | |
| 355 | N | A | -1.5681 | |
| 356 | P | A | -1.0791 | |
| 357 | A | A | -0.6147 | |
| 358 | A | A | -0.6319 | |
| 359 | T | A | -0.6865 | |
| 360 | A | A | -0.4048 | |
| 361 | A | A | -0.4748 | |
| 362 | V | A | 0.0000 | |
| 363 | K | A | -1.6559 | |
| 364 | T | A | -0.8764 | |
| 365 | A | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | S | A | -1.3677 | |
| 368 | G | A | -1.0287 | |
| 369 | N | A | -0.7661 | |
| 370 | P | A | -0.3496 | |
| 371 | V | A | 0.0000 | |
| 372 | P | A | -0.2948 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | P | A | 0.0000 | |
| 377 | C | A | 0.0000 | |
| 378 | H | A | 0.0000 | |
| 379 | R | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | Q | A | -1.5948 | |
| 383 | G | A | -1.2834 | |
| 384 | D | A | -1.7714 | |
| 385 | L | A | -0.1422 | |
| 386 | D | A | -1.0922 | |
| 387 | V | A | -0.6928 | |
| 388 | G | A | -0.6543 | |
| 389 | G | A | -1.0931 | |
| 390 | Y | A | -1.0868 | |
| 391 | E | A | -2.1220 | |
| 392 | G | A | -1.1457 | |
| 393 | G | A | -0.8873 | |
| 394 | L | A | 0.1074 | |
| 395 | A | A | 0.0222 | |
| 396 | V | A | 0.0000 | |
| 397 | K | A | 0.0000 | |
| 398 | E | A | -1.0550 | |
| 399 | W | A | -0.4628 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | A | A | -1.2011 | |
| 403 | H | A | -0.5874 | |
| 404 | E | A | 0.0000 | |
| 405 | G | A | -1.3293 | |
| 406 | H | A | -1.7614 | |
| 407 | R | A | -2.3379 | |
| 408 | L | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | K | A | -1.6032 | |
| 411 | P | A | -1.0016 | |
| 412 | G | A | -0.6405 | |
| 413 | L | A | 0.0423 | |
| 414 | G | A | -0.5463 | |
| 1 | D | B | -1.3375 | |
| 2 | V | B | 0.0000 | |
| 3 | V | B | 0.6809 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.3902 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.1921 | |
| 8 | P | B | 0.3514 | |
| 9 | L | B | 1.1282 | |
| 10 | S | B | 0.1510 | |
| 11 | L | B | -0.1456 | |
| 12 | P | B | -0.7295 | |
| 13 | V | B | 0.0000 | |
| 14 | T | B | -0.9848 | |
| 15 | L | B | -0.7239 | |
| 16 | G | B | -1.2149 | |
| 17 | Q | B | -1.5478 | |
| 18 | P | B | -1.7853 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.8454 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.9254 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.2883 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.9962 | |
| 27 | Q | B | -1.4955 | |
| 28 | S | B | -0.8184 | |
| 29 | L | B | 0.0000 | |
| 30 | L | B | 0.7991 | |
| 31 | H | B | -0.0933 | |
| 32 | S | B | -0.3515 | |
| 33 | S | B | -0.4920 | |
| 34 | G | B | -0.4916 | |
| 35 | N | B | -0.4384 | |
| 36 | T | B | 0.0000 | |
| 37 | Y | B | -0.0110 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | 0.0000 | |
| 40 | W | B | 0.0000 | |
| 41 | Y | B | 0.0000 | |
| 42 | Q | B | 0.0000 | |
| 43 | Q | B | -1.0920 | |
| 44 | R | B | -2.0320 | |
| 45 | P | B | -1.5627 | |
| 46 | G | B | -1.6452 | |
| 47 | Q | B | -1.9818 | |
| 48 | S | B | -1.2724 | |
| 49 | P | B | 0.0000 | |
| 50 | R | B | -0.8502 | |
| 51 | P | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | Y | B | -0.2020 | |
| 55 | K | B | -0.7112 | |
| 56 | I | B | -0.5173 | |
| 57 | S | B | -0.6727 | |
| 58 | T | B | -0.7256 | |
| 59 | R | B | -1.4244 | |
| 60 | F | B | -0.5413 | |
| 61 | S | B | -0.5571 | |
| 62 | G | B | -0.8427 | |
| 63 | V | B | -0.9039 | |
| 64 | P | B | -1.2249 | |
| 65 | D | B | -2.3552 | |
| 66 | R | B | -2.0815 | |
| 67 | F | B | 0.0000 | |
| 68 | S | B | -1.3619 | |
| 69 | G | B | -0.9167 | |
| 70 | S | B | -0.9114 | |
| 71 | G | B | -1.0180 | |
| 72 | S | B | -0.6663 | |
| 73 | G | B | -0.6312 | |
| 74 | T | B | -1.4162 | |
| 75 | D | B | -2.0636 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -1.1208 | |
| 78 | L | B | 0.0000 | |
| 79 | K | B | -2.0203 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | -2.2723 | |
| 82 | R | B | -2.9164 | |
| 83 | V | B | 0.0000 | |
| 84 | E | B | -2.3990 | |
| 85 | A | B | -2.2543 | |
| 86 | E | B | -2.9121 | |
| 87 | D | B | 0.0000 | |
| 88 | V | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | V | B | -0.2944 | |
| 91 | Y | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | C | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | G | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | H | B | -0.0942 | |
| 99 | V | B | 0.5651 | |
| 100 | P | B | -0.1893 | |
| 101 | Y | B | 0.3002 | |
| 102 | T | B | 0.0893 | |
| 103 | F | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | G | B | -0.3837 | |
| 106 | G | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.7192 | |
| 109 | V | B | 0.0000 | |
| 110 | E | B | -1.2068 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.1262 | |
| 113 | R | B | -0.7644 | |
| 114 | T | B | 0.0220 | |
| 115 | V | B | 0.3593 | |
| 116 | A | B | -0.0335 | |
| 117 | A | B | -0.1203 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.2308 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | -0.4879 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.3582 | |
| 127 | D | B | -2.4328 | |
| 128 | E | B | -2.0190 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -1.8769 | |
| 131 | K | B | -2.4588 | |
| 132 | S | B | -1.5007 | |
| 133 | G | B | -1.0799 | |
| 134 | T | B | -0.8312 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.8679 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | P | B | -1.5707 | |
| 147 | R | B | -2.7724 | |
| 148 | E | B | -3.1005 | |
| 149 | A | B | -2.2631 | |
| 150 | K | B | -2.3717 | |
| 151 | V | B | -0.9656 | |
| 152 | Q | B | -0.4844 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.5561 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -1.9271 | |
| 157 | N | B | -1.5581 | |
| 158 | A | B | -0.3361 | |
| 159 | L | B | 0.5538 | |
| 160 | Q | B | -0.3543 | |
| 161 | S | B | -0.6766 | |
| 162 | G | B | -1.2864 | |
| 163 | N | B | -1.6066 | |
| 164 | S | B | -1.4558 | |
| 165 | Q | B | -1.4811 | |
| 166 | E | B | -1.6236 | |
| 167 | S | B | -0.9001 | |
| 168 | V | B | -0.7993 | |
| 169 | T | B | -1.1763 | |
| 170 | E | B | -2.3572 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -2.0913 | |
| 173 | S | B | -2.5619 | |
| 174 | K | B | -2.7409 | |
| 175 | D | B | -1.7965 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.7201 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.6281 | |
| 186 | L | B | -0.7399 | |
| 187 | S | B | -0.9375 | |
| 188 | K | B | -1.9198 | |
| 189 | A | B | -1.7566 | |
| 190 | D | B | -2.3281 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.5261 | |
| 193 | K | B | -3.5893 | |
| 194 | H | B | -2.9799 | |
| 195 | K | B | -3.2559 | |
| 196 | V | B | -1.4220 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.5332 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -1.1756 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7306 | |
| 205 | G | B | -0.4257 | |
| 206 | L | B | -0.2365 | |
| 207 | S | B | -0.4525 | |
| 208 | S | B | -0.4210 | |
| 209 | P | B | -0.5078 | |
| 210 | V | B | 0.0976 | |
| 211 | T | B | -0.3451 | |
| 212 | K | B | -0.7670 | |
| 213 | S | B | -0.6384 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.7442 | |
| 216 | R | B | -2.4378 | |
| 217 | G | B | -1.8729 | |
| 218 | E | B | -2.0323 | |
| 219 | C | B | -0.7864 |
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