| Chain sequence(s) |
A: MVIPIKEPDVDDDSTSDMEEEIRKLLEEYEKKLEEAKETHFGFPFNLDLNFEELYKLMKYNLNNIGDPFVPSNYKLNSRDFENGVLRYFAKLYDIKEDEYYGWITEGGTEGVRQGVLLARKRFPDGVLFASENAHISVRKAAEELGLELVVVGTNIDGSIDVEDFRALVAAHRDRPVLVVLNYGNTILGAVDDLDAVLATLAEAGFTPDQYAVHVDGATMGIMLPFLDTGPKISFRKPIHSVSVSLHKFLGSPVPSGVFLARREDMEAVRRPVPYLNSYQGTLLTSRNGLNPIFAWYRLQKLGREGLKKIVLECLENARYLRDKLLEAKISAYLNPLSTTVVFLRPKDEAFVEKYSLSTYGKLARVHVMPHVTKEKIDAFLDDLVAKRKGWYGGGKPGPPCCAEDIGAENCLCPVHIKLK
B: MVIPIKEPDVDDDSTSDMEEEIRKLLEEYEKKLEEAKETHFGFPFNLDLNFEELYKLMKYNLNNIGDPFVPSNYKLNSRDFENGVLRYFAKLYDIKEDEYYGWITEGGTEGVRQGVLLARKRFPDGVLFASENAHISVRKAAEELGLELVVVGTNIDGSIDVEDFRALVAAHRDRPVLVVLNYGNTILGAVDDLDAVLATLAEAGFTPDQYAVHVDGATMGIMLPFLDTGPKISFRKPIHSVSVSLHKFLGSPVPSGVFLARREDMEAVRRPVPYLNSYQGTLLTSRNGLNPIFAWYRLQKLGREGLKKIVLECLENARYLRDKLLEAKISAYLNPLSTTVVFLRPKDEAFVEKYSLSTYGKLARVHVMPHVTKEKIDAFLDDLVAKRKGWYGGGKPGPPCCAEDIGAENCLCPVHIKLK 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 (00:28:42)
[INFO] Main: Simulation completed successfully. (00:28:50)
|
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 | M | A | 1.3209 | |
| 2 | V | A | 0.9732 | |
| 3 | I | A | 0.0000 | |
| 4 | P | A | -0.3439 | |
| 5 | I | A | -0.8749 | |
| 6 | K | A | -2.5046 | |
| 7 | E | A | -2.6754 | |
| 8 | P | A | -2.8154 | |
| 9 | D | A | -3.1142 | |
| 10 | V | A | -1.2547 | |
| 11 | D | A | -2.8917 | |
| 12 | D | A | -3.6353 | |
| 13 | D | A | -3.6871 | |
| 14 | S | A | -3.1771 | |
| 15 | T | A | -3.1084 | |
| 16 | S | A | -3.1727 | |
| 17 | D | A | -4.4339 | |
| 18 | M | A | -4.2416 | |
| 19 | E | A | -4.4477 | |
| 20 | E | A | -4.9450 | |
| 21 | E | A | -4.8718 | |
| 22 | I | A | 0.0000 | |
| 23 | R | A | -5.3512 | |
| 24 | K | A | -4.8255 | |
| 25 | L | A | -3.3660 | |
| 26 | L | A | 0.0000 | |
| 27 | E | A | -4.5689 | |
| 28 | E | A | -4.4351 | |
| 29 | Y | A | 0.0000 | |
| 30 | E | A | -3.7219 | |
| 31 | K | A | -4.6150 | |
| 32 | K | A | -4.1457 | |
| 33 | L | A | 0.0000 | |
| 34 | E | A | -4.6228 | |
| 35 | E | A | -4.5327 | |
| 36 | A | A | 0.0000 | |
| 37 | K | A | -3.2445 | |
| 38 | E | A | -3.2926 | |
| 39 | T | A | -2.2613 | |
| 40 | H | A | 0.0000 | |
| 41 | F | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | P | A | -0.1159 | |
| 45 | F | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | -2.2638 | |
| 49 | L | A | 0.0000 | |
| 50 | N | A | -2.4439 | |
| 51 | F | A | 0.0000 | |
| 52 | E | A | -2.8935 | |
| 53 | E | A | -2.7096 | |
| 54 | L | A | 0.0000 | |
| 55 | Y | A | -2.0244 | |
| 56 | K | A | -2.4522 | |
| 57 | L | A | 0.0000 | |
| 58 | M | A | 0.0000 | |
| 59 | K | A | -1.9217 | |
| 60 | Y | A | 0.0000 | |
| 61 | N | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | N | A | 0.0000 | |
| 64 | N | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | D | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | F | A | 0.8948 | |
| 70 | V | A | 0.4384 | |
| 71 | P | A | -0.1905 | |
| 72 | S | A | -0.7387 | |
| 73 | N | A | -1.2985 | |
| 74 | Y | A | 0.0000 | |
| 75 | K | A | -1.7800 | |
| 76 | L | A | 0.0000 | |
| 77 | N | A | -0.5921 | |
| 78 | S | A | 0.0000 | |
| 79 | R | A | -0.1507 | |
| 80 | D | A | 0.1717 | |
| 81 | F | A | 0.0000 | |
| 82 | E | A | 0.0000 | |
| 83 | N | A | 0.0844 | |
| 84 | G | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -1.3032 | |
| 88 | Y | A | -0.9226 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.9010 | |
| 92 | L | A | -1.1170 | |
| 93 | Y | A | 0.0000 | |
| 94 | D | A | -3.4156 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -4.4970 | |
| 97 | E | A | -4.4059 | |
| 98 | D | A | -3.7511 | |
| 99 | E | A | -3.4676 | |
| 100 | Y | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | W | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | E | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | G | A | -0.1321 | |
| 109 | T | A | 0.0000 | |
| 110 | E | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | Q | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | R | A | -1.5423 | |
| 121 | K | A | -1.8139 | |
| 122 | R | A | -2.1464 | |
| 123 | F | A | -1.8217 | |
| 124 | P | A | -1.8017 | |
| 125 | D | A | -2.6204 | |
| 126 | G | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | E | A | -1.6482 | |
| 133 | N | A | -0.8620 | |
| 134 | A | A | 0.0000 | |
| 135 | H | A | -0.5199 | |
| 136 | I | A | -0.4241 | |
| 137 | S | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | R | A | -0.9408 | |
| 140 | K | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.8208 | |
| 144 | E | A | -1.2396 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | -1.3636 | |
| 147 | L | A | 0.0000 | |
| 148 | E | A | -1.5308 | |
| 149 | L | A | -0.1561 | |
| 150 | V | A | 0.4503 | |
| 151 | V | A | 0.6240 | |
| 152 | V | A | 0.0000 | |
| 153 | G | A | -0.7855 | |
| 154 | T | A | -0.8045 | |
| 155 | N | A | -0.3529 | |
| 156 | I | A | 0.6571 | |
| 157 | D | A | -0.0567 | |
| 158 | G | A | 0.0000 | |
| 159 | S | A | -0.5471 | |
| 160 | I | A | 0.0000 | |
| 161 | D | A | -1.5923 | |
| 162 | V | A | -1.4512 | |
| 163 | E | A | -2.5535 | |
| 164 | D | A | -1.8335 | |
| 165 | F | A | 0.0000 | |
| 166 | R | A | -2.1550 | |
| 167 | A | A | -1.0421 | |
| 168 | L | A | -0.5308 | |
| 169 | V | A | 0.0000 | |
| 170 | A | A | -1.2489 | |
| 171 | A | A | -0.9550 | |
| 172 | H | A | -1.6830 | |
| 173 | R | A | -2.9730 | |
| 174 | D | A | -3.2200 | |
| 175 | R | A | -2.4774 | |
| 176 | P | A | -2.0942 | |
| 177 | V | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | N | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | G | A | -0.0102 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | 0.1184 | |
| 187 | I | A | 0.3997 | |
| 188 | L | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | D | A | 0.0000 | |
| 193 | D | A | -1.5677 | |
| 194 | L | A | 0.0000 | |
| 195 | D | A | -1.9729 | |
| 196 | A | A | -1.1259 | |
| 197 | V | A | 0.0000 | |
| 198 | L | A | -0.8157 | |
| 199 | A | A | -1.0111 | |
| 200 | T | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | A | A | -0.9903 | |
| 203 | E | A | -2.0783 | |
| 204 | A | A | -1.6078 | |
| 205 | G | A | -1.4136 | |
| 206 | F | A | 0.0000 | |
| 207 | T | A | -1.2806 | |
| 208 | P | A | -1.4365 | |
| 209 | D | A | -2.3773 | |
| 210 | Q | A | -2.0728 | |
| 211 | Y | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | H | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | D | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | A | A | -0.1070 | |
| 219 | T | A | 0.0000 | |
| 220 | M | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | P | A | -0.8590 | |
| 226 | F | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | D | A | -2.0141 | |
| 229 | T | A | -1.2393 | |
| 230 | G | A | -1.0963 | |
| 231 | P | A | -1.5304 | |
| 232 | K | A | -1.8470 | |
| 233 | I | A | 0.0000 | |
| 234 | S | A | -1.8123 | |
| 235 | F | A | 0.0000 | |
| 236 | R | A | -2.6638 | |
| 237 | K | A | -1.8320 | |
| 238 | P | A | -0.9467 | |
| 239 | I | A | 0.0000 | |
| 240 | H | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | H | A | 0.0000 | |
| 248 | K | A | -0.2640 | |
| 249 | F | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | P | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | P | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.1401 | |
| 263 | R | A | -2.8182 | |
| 264 | E | A | -2.9722 | |
| 265 | D | A | -2.2768 | |
| 266 | M | A | 0.0000 | |
| 267 | E | A | -2.9162 | |
| 268 | A | A | -1.9387 | |
| 269 | V | A | -1.3517 | |
| 270 | R | A | -1.7313 | |
| 271 | R | A | -2.2108 | |
| 272 | P | A | -1.1777 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | -0.5122 | |
| 275 | Y | A | 0.0500 | |
| 276 | L | A | -0.3160 | |
| 277 | N | A | -1.0602 | |
| 278 | S | A | 0.0000 | |
| 279 | Y | A | -0.4078 | |
| 280 | Q | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | T | A | 0.0294 | |
| 286 | S | A | -0.0392 | |
| 287 | R | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | N | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | W | A | 0.0000 | |
| 297 | Y | A | 0.0000 | |
| 298 | R | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | Q | A | 0.0000 | |
| 301 | K | A | -1.3468 | |
| 302 | L | A | -1.3174 | |
| 303 | G | A | 0.0000 | |
| 304 | R | A | -3.6500 | |
| 305 | E | A | -3.4045 | |
| 306 | G | A | -2.1555 | |
| 307 | L | A | 0.0000 | |
| 308 | K | A | -2.3878 | |
| 309 | K | A | -2.5807 | |
| 310 | I | A | -1.1932 | |
| 311 | V | A | 0.0000 | |
| 312 | L | A | -0.6768 | |
| 313 | E | A | -1.6619 | |
| 314 | C | A | 0.0000 | |
| 315 | L | A | -0.9768 | |
| 316 | E | A | -1.9160 | |
| 317 | N | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | R | A | -2.0240 | |
| 320 | Y | A | -1.3433 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -1.5225 | |
| 323 | D | A | -1.9861 | |
| 324 | K | A | -1.9119 | |
| 325 | L | A | 0.0000 | |
| 326 | L | A | -1.4841 | |
| 327 | E | A | -2.5114 | |
| 328 | A | A | -1.7150 | |
| 329 | K | A | -1.7039 | |
| 330 | I | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | N | A | 0.0000 | |
| 336 | P | A | -0.4053 | |
| 337 | L | A | 0.0216 | |
| 338 | S | A | 0.0000 | |
| 339 | T | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | R | A | -1.6681 | |
| 346 | P | A | 0.0000 | |
| 347 | K | A | -2.7585 | |
| 348 | D | A | -2.6534 | |
| 349 | E | A | -3.0704 | |
| 350 | A | A | -2.0811 | |
| 351 | F | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | E | A | -2.9523 | |
| 354 | K | A | -2.6584 | |
| 355 | Y | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | T | A | -0.2769 | |
| 360 | Y | A | -0.0315 | |
| 361 | G | A | -1.0970 | |
| 362 | K | A | -2.0958 | |
| 363 | L | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | R | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | H | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | M | A | 0.0000 | |
| 370 | P | A | -0.6346 | |
| 371 | H | A | -1.1981 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | -1.6074 | |
| 374 | K | A | -2.4916 | |
| 375 | E | A | -2.8680 | |
| 376 | K | A | -2.4362 | |
| 377 | I | A | 0.0000 | |
| 378 | D | A | -2.3586 | |
| 379 | A | A | -1.8141 | |
| 380 | F | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | D | A | -2.1078 | |
| 383 | D | A | -1.4122 | |
| 384 | L | A | 0.0000 | |
| 385 | V | A | -0.9423 | |
| 386 | A | A | -1.3556 | |
| 387 | K | A | -2.1877 | |
| 388 | R | A | -2.0256 | |
| 389 | K | A | -2.3276 | |
| 390 | G | A | -1.9345 | |
| 391 | W | A | -1.4672 | |
| 392 | Y | A | -1.5741 | |
| 393 | G | A | -1.8521 | |
| 394 | G | A | -1.5457 | |
| 395 | G | A | -1.5877 | |
| 396 | K | A | -2.2289 | |
| 397 | P | A | -1.5622 | |
| 398 | G | A | -0.7849 | |
| 399 | P | A | -0.6790 | |
| 400 | P | A | -0.2427 | |
| 401 | C | A | -0.3082 | |
| 402 | C | A | 0.0000 | |
| 403 | A | A | -1.4106 | |
| 404 | E | A | -2.2817 | |
| 405 | D | A | -2.4694 | |
| 406 | I | A | 0.0000 | |
| 407 | G | A | -1.2939 | |
| 408 | A | A | -1.1557 | |
| 409 | E | A | -1.8962 | |
| 410 | N | A | -1.3225 | |
| 411 | C | A | 0.0000 | |
| 412 | L | A | -0.2413 | |
| 413 | C | A | 0.0000 | |
| 414 | P | A | 0.3731 | |
| 415 | V | A | 1.1083 | |
| 416 | H | A | 0.2316 | |
| 417 | I | A | -0.0945 | |
| 418 | K | A | -0.7303 | |
| 419 | L | A | 0.1915 | |
| 420 | K | A | -1.3243 | |
| 1 | M | B | 1.2149 | |
| 2 | V | B | 0.8705 | |
| 3 | I | B | 0.0000 | |
| 4 | P | B | -0.4983 | |
| 5 | I | B | -0.9747 | |
| 6 | K | B | -2.6854 | |
| 7 | E | B | -2.9287 | |
| 8 | P | B | -2.7799 | |
| 9 | D | B | -3.1817 | |
| 10 | V | B | -1.3161 | |
| 11 | D | B | -2.8836 | |
| 12 | D | B | -3.6293 | |
| 13 | D | B | -3.6388 | |
| 14 | S | B | -3.1043 | |
| 15 | T | B | -2.9739 | |
| 16 | S | B | -3.0483 | |
| 17 | D | B | -4.2932 | |
| 18 | M | B | -4.0618 | |
| 19 | E | B | -4.1938 | |
| 20 | E | B | -4.8841 | |
| 21 | E | B | -4.4138 | |
| 22 | I | B | 0.0000 | |
| 23 | R | B | -4.8701 | |
| 24 | K | B | -4.4593 | |
| 25 | L | B | -3.0389 | |
| 26 | L | B | 0.0000 | |
| 27 | E | B | -3.9668 | |
| 28 | E | B | -4.1921 | |
| 29 | Y | B | 0.0000 | |
| 30 | E | B | -3.7690 | |
| 31 | K | B | -4.5553 | |
| 32 | K | B | -4.1859 | |
| 33 | L | B | 0.0000 | |
| 34 | E | B | -4.5788 | |
| 35 | E | B | -4.5345 | |
| 36 | A | B | 0.0000 | |
| 37 | K | B | -3.1769 | |
| 38 | E | B | -3.2381 | |
| 39 | T | B | -2.2315 | |
| 40 | H | B | 0.0000 | |
| 41 | F | B | 0.0000 | |
| 42 | G | B | 0.0000 | |
| 43 | F | B | 0.0000 | |
| 44 | P | B | -0.1117 | |
| 45 | F | B | 0.0000 | |
| 46 | N | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | D | B | -2.1972 | |
| 49 | L | B | 0.0000 | |
| 50 | N | B | -2.3879 | |
| 51 | F | B | 0.0000 | |
| 52 | E | B | -2.7906 | |
| 53 | E | B | -2.9610 | |
| 54 | L | B | 0.0000 | |
| 55 | Y | B | 0.0000 | |
| 56 | K | B | -2.0782 | |
| 57 | L | B | 0.0000 | |
| 58 | M | B | 0.0000 | |
| 59 | K | B | -2.0258 | |
| 60 | Y | B | 0.0000 | |
| 61 | N | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | N | B | 0.0000 | |
| 64 | N | B | 0.0000 | |
| 65 | I | B | 0.0817 | |
| 66 | G | B | 0.0000 | |
| 67 | D | B | 0.0000 | |
| 68 | P | B | 0.0000 | |
| 69 | F | B | 0.7517 | |
| 70 | V | B | 0.4593 | |
| 71 | P | B | -0.2099 | |
| 72 | S | B | -0.7778 | |
| 73 | N | B | -1.3115 | |
| 74 | Y | B | 0.0000 | |
| 75 | K | B | -1.7390 | |
| 76 | L | B | 0.0000 | |
| 77 | N | B | -0.5501 | |
| 78 | S | B | 0.0000 | |
| 79 | R | B | -0.0499 | |
| 80 | D | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | E | B | 0.0000 | |
| 83 | N | B | 0.0000 | |
| 84 | G | B | 0.0000 | |
| 85 | V | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -1.3174 | |
| 88 | Y | B | -0.9025 | |
| 89 | F | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | K | B | -2.9057 | |
| 92 | L | B | -1.1533 | |
| 93 | Y | B | 0.0000 | |
| 94 | D | B | -3.4004 | |
| 95 | I | B | 0.0000 | |
| 96 | K | B | -4.4440 | |
| 97 | E | B | -4.2821 | |
| 98 | D | B | -3.7015 | |
| 99 | E | B | -3.4729 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | W | B | 0.0000 | |
| 104 | I | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | E | B | 0.0000 | |
| 107 | G | B | 0.0000 | |
| 108 | G | B | -0.1333 | |
| 109 | T | B | 0.0000 | |
| 110 | E | B | 0.0000 | |
| 111 | G | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | R | B | 0.0000 | |
| 114 | Q | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | V | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | A | B | 0.0000 | |
| 120 | R | B | -1.5248 | |
| 121 | K | B | -1.7748 | |
| 122 | R | B | -2.2381 | |
| 123 | F | B | -1.8447 | |
| 124 | P | B | -1.7927 | |
| 125 | D | B | -2.6915 | |
| 126 | G | B | 0.0000 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | E | B | -1.5210 | |
| 133 | N | B | -0.7967 | |
| 134 | A | B | 0.0000 | |
| 135 | H | B | -0.5241 | |
| 136 | I | B | -0.5545 | |
| 137 | S | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | R | B | -1.2184 | |
| 140 | K | B | -1.3069 | |
| 141 | A | B | 0.0000 | |
| 142 | A | B | 0.0000 | |
| 143 | E | B | -2.3723 | |
| 144 | E | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | -1.7474 | |
| 147 | L | B | 0.0000 | |
| 148 | E | B | -1.8188 | |
| 149 | L | B | -0.3555 | |
| 150 | V | B | 0.4218 | |
| 151 | V | B | 0.6688 | |
| 152 | V | B | 0.0000 | |
| 153 | G | B | -0.7404 | |
| 154 | T | B | -0.7675 | |
| 155 | N | B | -0.3412 | |
| 156 | I | B | 0.6273 | |
| 157 | D | B | -0.0684 | |
| 158 | G | B | 0.0000 | |
| 159 | S | B | -0.5348 | |
| 160 | I | B | 0.0000 | |
| 161 | D | B | -1.6266 | |
| 162 | V | B | -1.5429 | |
| 163 | E | B | -2.6715 | |
| 164 | D | B | -1.9382 | |
| 165 | F | B | 0.0000 | |
| 166 | R | B | -2.4720 | |
| 167 | A | B | -1.2089 | |
| 168 | L | B | -0.6300 | |
| 169 | V | B | 0.0000 | |
| 170 | A | B | -1.3357 | |
| 171 | A | B | -1.0031 | |
| 172 | H | B | -1.6948 | |
| 173 | R | B | -2.9753 | |
| 174 | D | B | -3.2186 | |
| 175 | R | B | -2.4680 | |
| 176 | P | B | -2.0988 | |
| 177 | V | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | V | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | L | B | 0.0000 | |
| 182 | N | B | 0.0000 | |
| 183 | Y | B | 0.0000 | |
| 184 | G | B | -0.0120 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | 0.1228 | |
| 187 | I | B | 0.4373 | |
| 188 | L | B | 0.0000 | |
| 189 | G | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | D | B | 0.0000 | |
| 193 | D | B | -1.5709 | |
| 194 | L | B | 0.0000 | |
| 195 | D | B | -1.9276 | |
| 196 | A | B | -1.1022 | |
| 197 | V | B | 0.0000 | |
| 198 | L | B | -0.7931 | |
| 199 | A | B | -1.0193 | |
| 200 | T | B | 0.0000 | |
| 201 | L | B | 0.0000 | |
| 202 | A | B | -0.9813 | |
| 203 | E | B | -2.1114 | |
| 204 | A | B | -1.6580 | |
| 205 | G | B | -1.4022 | |
| 206 | F | B | 0.0000 | |
| 207 | T | B | -1.2512 | |
| 208 | P | B | -1.4259 | |
| 209 | D | B | -2.3817 | |
| 210 | Q | B | -2.0613 | |
| 211 | Y | B | 0.0000 | |
| 212 | A | B | 0.0000 | |
| 213 | V | B | 0.0000 | |
| 214 | H | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | D | B | 0.0000 | |
| 217 | G | B | 0.0000 | |
| 218 | A | B | -0.1057 | |
| 219 | T | B | 0.0000 | |
| 220 | M | B | 0.0000 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | M | B | 0.0000 | |
| 224 | L | B | 0.0000 | |
| 225 | P | B | -0.8916 | |
| 226 | F | B | 0.0000 | |
| 227 | L | B | 0.0000 | |
| 228 | D | B | -2.0203 | |
| 229 | T | B | -1.2458 | |
| 230 | G | B | -1.1115 | |
| 231 | P | B | -1.5469 | |
| 232 | K | B | -1.8921 | |
| 233 | I | B | 0.0000 | |
| 234 | S | B | -1.8285 | |
| 235 | F | B | 0.0000 | |
| 236 | R | B | -2.6639 | |
| 237 | K | B | -1.8335 | |
| 238 | P | B | -0.9474 | |
| 239 | I | B | 0.0000 | |
| 240 | H | B | 0.0000 | |
| 241 | S | B | 0.0000 | |
| 242 | V | B | 0.0000 | |
| 243 | S | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | S | B | 0.0000 | |
| 246 | L | B | 0.0000 | |
| 247 | H | B | 0.0000 | |
| 248 | K | B | -0.2628 | |
| 249 | F | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | G | B | 0.0000 | |
| 252 | S | B | 0.0000 | |
| 253 | P | B | 0.0000 | |
| 254 | V | B | 0.0000 | |
| 255 | P | B | 0.0000 | |
| 256 | S | B | 0.0000 | |
| 257 | G | B | 0.0000 | |
| 258 | V | B | 0.0000 | |
| 259 | F | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | A | B | 0.0000 | |
| 262 | R | B | -2.1487 | |
| 263 | R | B | -2.8685 | |
| 264 | E | B | -3.0032 | |
| 265 | D | B | -2.3062 | |
| 266 | M | B | 0.0000 | |
| 267 | E | B | -2.8110 | |
| 268 | A | B | -1.8455 | |
| 269 | V | B | -1.0989 | |
| 270 | R | B | -1.4003 | |
| 271 | R | B | -1.4010 | |
| 272 | P | B | -0.8503 | |
| 273 | V | B | 0.0000 | |
| 274 | P | B | -0.5057 | |
| 275 | Y | B | -0.0819 | |
| 276 | L | B | 0.0000 | |
| 277 | N | B | -1.1594 | |
| 278 | S | B | 0.0000 | |
| 279 | Y | B | -0.2165 | |
| 280 | Q | B | 0.0000 | |
| 281 | G | B | 0.0000 | |
| 282 | T | B | 0.0000 | |
| 283 | L | B | 0.0000 | |
| 284 | L | B | 0.0000 | |
| 285 | T | B | 0.0750 | |
| 286 | S | B | 0.0305 | |
| 287 | R | B | 0.0000 | |
| 288 | N | B | 0.0000 | |
| 289 | G | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | N | B | 0.0000 | |
| 292 | P | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | F | B | 0.0000 | |
| 295 | A | B | 0.0000 | |
| 296 | W | B | 0.0000 | |
| 297 | Y | B | 0.0000 | |
| 298 | R | B | -0.4869 | |
| 299 | L | B | 0.0000 | |
| 300 | Q | B | 0.0000 | |
| 301 | K | B | -1.4390 | |
| 302 | L | B | -1.5441 | |
| 303 | G | B | 0.0000 | |
| 304 | R | B | -3.6178 | |
| 305 | E | B | -3.4009 | |
| 306 | G | B | -2.1499 | |
| 307 | L | B | 0.0000 | |
| 308 | K | B | -2.4827 | |
| 309 | K | B | -2.7182 | |
| 310 | I | B | -1.4326 | |
| 311 | V | B | 0.0000 | |
| 312 | L | B | -0.9160 | |
| 313 | E | B | -2.4124 | |
| 314 | C | B | 0.0000 | |
| 315 | L | B | 0.0000 | |
| 316 | E | B | -2.3902 | |
| 317 | N | B | 0.0000 | |
| 318 | A | B | 0.0000 | |
| 319 | R | B | -1.7169 | |
| 320 | Y | B | -1.3217 | |
| 321 | L | B | 0.0000 | |
| 322 | R | B | -1.4548 | |
| 323 | D | B | -1.8125 | |
| 324 | K | B | -1.8857 | |
| 325 | L | B | 0.0000 | |
| 326 | L | B | -1.5006 | |
| 327 | E | B | -2.4794 | |
| 328 | A | B | -1.6826 | |
| 329 | K | B | -1.6128 | |
| 330 | I | B | 0.0000 | |
| 331 | S | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | Y | B | 0.0000 | |
| 334 | L | B | 0.0000 | |
| 335 | N | B | 0.0000 | |
| 336 | P | B | -0.3393 | |
| 337 | L | B | -0.0166 | |
| 338 | S | B | 0.0000 | |
| 339 | T | B | 0.0000 | |
| 340 | T | B | 0.0000 | |
| 341 | V | B | 0.0000 | |
| 342 | V | B | 0.0000 | |
| 343 | F | B | 0.0000 | |
| 344 | L | B | 0.0000 | |
| 345 | R | B | -1.3773 | |
| 346 | P | B | 0.0000 | |
| 347 | K | B | -2.7957 | |
| 348 | D | B | -2.8705 | |
| 349 | E | B | -3.1584 | |
| 350 | A | B | -2.1542 | |
| 351 | F | B | 0.0000 | |
| 352 | V | B | 0.0000 | |
| 353 | E | B | -2.9749 | |
| 354 | K | B | -2.6733 | |
| 355 | Y | B | 0.0000 | |
| 356 | S | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | S | B | 0.0000 | |
| 359 | T | B | -0.0606 | |
| 360 | Y | B | 0.3007 | |
| 361 | G | B | -0.8312 | |
| 362 | K | B | -1.6499 | |
| 363 | L | B | 0.0000 | |
| 364 | A | B | 0.0000 | |
| 365 | R | B | 0.0000 | |
| 366 | V | B | 0.0000 | |
| 367 | H | B | 0.0000 | |
| 368 | V | B | 0.0000 | |
| 369 | M | B | 0.0000 | |
| 370 | P | B | -0.7299 | |
| 371 | H | B | 0.0000 | |
| 372 | V | B | 0.0000 | |
| 373 | T | B | -1.6174 | |
| 374 | K | B | -2.3563 | |
| 375 | E | B | -2.8330 | |
| 376 | K | B | -2.4343 | |
| 377 | I | B | 0.0000 | |
| 378 | D | B | -2.5484 | |
| 379 | A | B | -1.8689 | |
| 380 | F | B | 0.0000 | |
| 381 | L | B | 0.0000 | |
| 382 | D | B | -2.1272 | |
| 383 | D | B | -1.3186 | |
| 384 | L | B | 0.0000 | |
| 385 | V | B | -0.9481 | |
| 386 | A | B | -1.3645 | |
| 387 | K | B | -2.2582 | |
| 388 | R | B | -2.0824 | |
| 389 | K | B | -2.3717 | |
| 390 | G | B | -1.9969 | |
| 391 | W | B | -1.5428 | |
| 392 | Y | B | -1.6399 | |
| 393 | G | B | -1.9021 | |
| 394 | G | B | -1.5757 | |
| 395 | G | B | -1.5819 | |
| 396 | K | B | -2.2281 | |
| 397 | P | B | -1.5603 | |
| 398 | G | B | -0.7094 | |
| 399 | P | B | -0.3724 | |
| 400 | P | B | 0.0536 | |
| 401 | C | B | 0.0638 | |
| 402 | C | B | 0.0000 | |
| 403 | A | B | -1.3286 | |
| 404 | E | B | -2.3039 | |
| 405 | D | B | -2.5266 | |
| 406 | I | B | 0.0000 | |
| 407 | G | B | -1.3217 | |
| 408 | A | B | -1.0995 | |
| 409 | E | B | -1.9095 | |
| 410 | N | B | -1.3507 | |
| 411 | C | B | 0.0000 | |
| 412 | L | B | -0.1249 | |
| 413 | C | B | 0.0000 | |
| 414 | P | B | 0.7962 | |
| 415 | V | B | 1.6371 | |
| 416 | H | B | 0.4562 | |
| 417 | I | B | -0.0628 | |
| 418 | K | B | -0.6378 | |
| 419 | L | B | 0.2607 | |
| 420 | K | B | -1.3068 |
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