| Chain sequence(s) |
A: GPHMKRRYNVITIFPEEMINEIFKYGVLSKGIDIGLFRVNNPINLRDYTEDKHKTVDDYQYGGGHGLVMKPEPIYKAIADLKSKKDTHVVFLDPRGEQFTQKTAERLYNYDDITFVCGRYEGIDDRVRELMADEMISIGDFVITGGELAAVTIIDAVARLIPGVLGDENSPNEESFTTGLLEYPHFTRPAEFMGKKVPEVLISGNHEEIRRWRLTESIKTTLQNRPDMILRRKSLSREEEQQILWSLTRGVQRKYNIYVALMHYPMRDKEGKVVTTSITNMDLHDDISRSSCRTFGVKNYFVVNPMMPAQREIASRVVRRHWIKGYGATYNENRKEAFEYTIITDSLASVIKSIEEKESGSPIIIATTARYQQKAISIEKLKEIADRPILLLFGTGWGFVDDILEFADYVLKPIHGVGDFNHLSVRSAVAIYLDRINRSFQE
B: HMKRYNVITIFPEMINEIFKYGVLSKGIDIGLFRVNPINLRDYTEDKHKTVDDYQYGGGHGLVMKPEPIYKAIADLKSKKDTHVVFLDPRGEQFTQKTAERLYNYDDITFVCGRYEGIDDRVRELMADEMISIGDFVITGGELAAVTIIDAVARLIPGVLGDENSPNEESFTTGLLEYPHFTRPAEFMGKKVPEVLISGNHEEIRRWRLTESIKTTLQNRPDMILRKSLSREEEQILWSLTRYNIYVALMHYPMRDKEGKVVTTSITNMDLHDISRSCRTFGVKNYFVVNPMPAQREIASRVVRHWIKYTIITDSLASSVIKSIEEKESGSPIIIATTARYQQKAISIEKLKEIADRPILLLFGTGWGFVDDILEFADYVLKPIHGVGDFNHLSVRSAVAIYLDRINRSFQ 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 (00:19:09)
[INFO] Main: Simulation completed successfully. (00:19:24)
|
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 | |
| -2 | G | A | -1.0746 | |
| -1 | P | A | -0.8911 | |
| 0 | H | A | -1.2384 | |
| 1 | M | A | -0.7915 | |
| 2 | K | A | 0.0000 | |
| 3 | R | A | -1.4614 | |
| 4 | Y | A | 0.0000 | |
| 5 | N | A | 0.0000 | |
| 6 | V | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | F | A | -0.4392 | |
| 11 | P | A | -1.1498 | |
| 12 | E | A | -1.9992 | |
| 13 | M | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | N | A | -1.5799 | |
| 16 | E | A | -1.8412 | |
| 17 | I | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | K | A | -2.2172 | |
| 20 | Y | A | -1.1079 | |
| 21 | G | A | -0.4872 | |
| 22 | V | A | -0.6494 | |
| 23 | L | A | 0.0000 | |
| 24 | S | A | -1.5846 | |
| 25 | K | A | -1.8924 | |
| 26 | G | A | 0.0000 | |
| 27 | I | A | -1.1123 | |
| 28 | D | A | -1.6949 | |
| 29 | I | A | 0.6057 | |
| 30 | G | A | -0.1103 | |
| 31 | L | A | -0.1217 | |
| 32 | F | A | 0.0000 | |
| 33 | R | A | -1.8032 | |
| 34 | V | A | 0.0000 | |
| 35 | N | A | -1.0267 | |
| 36 | P | A | -0.8196 | |
| 37 | I | A | -0.7129 | |
| 38 | N | A | -1.5034 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -2.3616 | |
| 41 | D | A | -2.8080 | |
| 42 | Y | A | -2.1597 | |
| 43 | T | A | -2.8665 | |
| 44 | E | A | -3.5055 | |
| 45 | D | A | -3.5893 | |
| 46 | K | A | -3.5409 | |
| 47 | H | A | -3.2017 | |
| 48 | K | A | -3.7978 | |
| 49 | T | A | -2.3662 | |
| 50 | V | A | 0.0000 | |
| 51 | D | A | -0.6827 | |
| 52 | D | A | -0.6082 | |
| 53 | Y | A | -0.2699 | |
| 54 | Q | A | 0.0000 | |
| 55 | Y | A | -0.2123 | |
| 56 | G | A | -0.6907 | |
| 57 | G | A | -0.9278 | |
| 58 | G | A | -1.4237 | |
| 59 | H | A | -1.8123 | |
| 60 | G | A | 0.0000 | |
| 61 | L | A | -0.5460 | |
| 62 | V | A | 0.0000 | |
| 63 | M | A | 0.0000 | |
| 64 | K | A | -0.7081 | |
| 65 | P | A | 0.0000 | |
| 66 | E | A | -0.8490 | |
| 67 | P | A | 0.0000 | |
| 68 | I | A | 0.0000 | |
| 69 | Y | A | -0.6462 | |
| 70 | K | A | -1.8611 | |
| 71 | A | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | A | A | -1.7041 | |
| 74 | D | A | -2.3463 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -3.4369 | |
| 77 | S | A | -2.6011 | |
| 78 | K | A | -3.1361 | |
| 79 | K | A | -2.9096 | |
| 80 | D | A | -2.9937 | |
| 81 | T | A | -2.0412 | |
| 82 | H | A | -1.1939 | |
| 83 | V | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | D | A | -0.4899 | |
| 88 | P | A | -0.4138 | |
| 89 | R | A | 0.0000 | |
| 90 | G | A | 0.0000 | |
| 91 | E | A | -1.3940 | |
| 92 | Q | A | -0.9899 | |
| 93 | F | A | 0.0000 | |
| 94 | T | A | -1.1230 | |
| 95 | Q | A | 0.0000 | |
| 96 | K | A | -2.5496 | |
| 97 | T | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | E | A | -2.7341 | |
| 100 | R | A | -2.0513 | |
| 101 | L | A | 0.0000 | |
| 102 | Y | A | -1.3056 | |
| 103 | N | A | -1.6593 | |
| 104 | Y | A | -0.9688 | |
| 105 | D | A | -1.1946 | |
| 106 | D | A | -1.3596 | |
| 107 | I | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | G | A | -0.1011 | |
| 113 | R | A | 0.0000 | |
| 114 | Y | A | -0.1775 | |
| 115 | E | A | -0.3842 | |
| 116 | G | A | -0.0949 | |
| 117 | I | A | -0.0005 | |
| 118 | D | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | R | A | -1.2344 | |
| 123 | E | A | -2.0615 | |
| 124 | L | A | -0.5888 | |
| 125 | M | A | -0.7130 | |
| 126 | A | A | -1.3981 | |
| 127 | D | A | -2.1452 | |
| 128 | E | A | -1.5500 | |
| 129 | M | A | -0.7958 | |
| 130 | I | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | D | A | -0.5324 | |
| 135 | F | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | I | A | 0.2953 | |
| 138 | T | A | 0.0000 | |
| 139 | G | A | 0.0332 | |
| 140 | G | A | -0.0902 | |
| 141 | E | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | -0.3743 | |
| 155 | I | A | 0.0000 | |
| 156 | P | A | -0.4037 | |
| 157 | G | A | -0.5183 | |
| 158 | V | A | 0.0000 | |
| 159 | L | A | -0.7182 | |
| 160 | G | A | -1.4463 | |
| 161 | D | A | -2.3630 | |
| 162 | E | A | -1.4199 | |
| 163 | N | A | 0.0000 | |
| 164 | S | A | -1.6373 | |
| 165 | P | A | -1.2574 | |
| 166 | N | A | -2.1963 | |
| 167 | E | A | -2.5158 | |
| 168 | E | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | F | A | -0.5093 | |
| 171 | T | A | -1.2812 | |
| 172 | T | A | -0.8375 | |
| 173 | G | A | -0.8775 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | E | A | -0.6846 | |
| 177 | Y | A | -0.3022 | |
| 178 | P | A | -0.1173 | |
| 179 | H | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | R | A | -2.1243 | |
| 183 | P | A | -2.0220 | |
| 184 | A | A | -2.1074 | |
| 185 | E | A | -2.8232 | |
| 186 | F | A | -1.3813 | |
| 187 | M | A | -0.1617 | |
| 188 | G | A | -1.1342 | |
| 189 | K | A | -2.0846 | |
| 190 | K | A | -3.0456 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -1.3498 | |
| 193 | E | A | -1.7163 | |
| 194 | V | A | -1.3841 | |
| 195 | L | A | 0.0000 | |
| 196 | I | A | 0.0386 | |
| 197 | S | A | -0.7369 | |
| 198 | G | A | -1.7709 | |
| 199 | N | A | -2.7679 | |
| 200 | H | A | -3.2746 | |
| 201 | E | A | -3.8286 | |
| 202 | E | A | -3.5223 | |
| 203 | I | A | -2.6110 | |
| 204 | R | A | -2.8238 | |
| 205 | R | A | -2.9392 | |
| 206 | W | A | -1.5420 | |
| 207 | R | A | -1.3893 | |
| 208 | L | A | -1.2087 | |
| 209 | T | A | -1.2620 | |
| 210 | E | A | -1.2736 | |
| 211 | S | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | -2.0494 | |
| 214 | T | A | -1.4453 | |
| 215 | T | A | 0.0000 | |
| 216 | L | A | -1.1871 | |
| 217 | Q | A | -1.9286 | |
| 218 | N | A | -1.8378 | |
| 219 | R | A | -1.3927 | |
| 220 | P | A | -1.3394 | |
| 221 | D | A | -1.3368 | |
| 222 | M | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | L | A | -0.8531 | |
| 225 | R | A | -2.2548 | |
| 226 | K | A | -1.2136 | |
| 227 | S | A | -0.7887 | |
| 228 | L | A | -0.7658 | |
| 229 | S | A | -1.0144 | |
| 230 | R | A | -1.7034 | |
| 231 | E | A | -1.8605 | |
| 232 | E | A | -1.2860 | |
| 233 | E | A | 0.0000 | |
| 234 | Q | A | -1.4168 | |
| 235 | I | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | S | A | -0.7018 | |
| 239 | L | A | -0.5129 | |
| 240 | T | A | -0.3405 | |
| 241 | R | A | -0.9412 | |
| 242 | G | A | -0.7331 | |
| 243 | V | A | 0.2250 | |
| 244 | Q | A | -1.9691 | |
| 245 | R | A | -2.8905 | |
| 246 | K | A | -3.3038 | |
| 247 | Y | A | -2.2022 | |
| 248 | N | A | -1.7533 | |
| 249 | I | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | H | A | 0.0000 | |
| 256 | Y | A | 1.0280 | |
| 257 | P | A | 0.2095 | |
| 258 | M | A | 0.0000 | |
| 259 | R | A | -1.2112 | |
| 260 | D | A | -1.8764 | |
| 261 | K | A | -2.8756 | |
| 262 | E | A | -3.1743 | |
| 263 | G | A | -2.4650 | |
| 264 | K | A | -2.0703 | |
| 265 | V | A | 0.4267 | |
| 266 | V | A | 0.6917 | |
| 267 | T | A | 0.6789 | |
| 268 | T | A | 0.3209 | |
| 269 | S | A | -0.2229 | |
| 270 | I | A | -0.0603 | |
| 271 | T | A | -0.5662 | |
| 272 | N | A | -0.9529 | |
| 273 | M | A | -0.4022 | |
| 274 | D | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | H | A | -0.4287 | |
| 277 | D | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | R | A | -0.4072 | |
| 281 | S | A | 0.0000 | |
| 282 | C | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | G | A | -0.7560 | |
| 287 | V | A | 0.0000 | |
| 288 | K | A | -1.2260 | |
| 289 | N | A | -0.4430 | |
| 290 | Y | A | 0.0000 | |
| 291 | F | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | -0.1485 | |
| 296 | M | A | -0.0737 | |
| 297 | P | A | -0.6110 | |
| 298 | A | A | -0.4493 | |
| 299 | Q | A | -0.4562 | |
| 300 | R | A | -1.1290 | |
| 301 | E | A | -1.8008 | |
| 302 | I | A | -0.3802 | |
| 303 | A | A | 0.0000 | |
| 304 | S | A | -1.5288 | |
| 305 | R | A | -2.5211 | |
| 306 | V | A | -1.4370 | |
| 307 | V | A | -1.5144 | |
| 308 | R | A | -3.0988 | |
| 309 | H | A | -1.8440 | |
| 310 | W | A | -1.2542 | |
| 311 | I | A | -1.8238 | |
| 312 | K | A | -2.2740 | |
| 313 | G | A | -1.0715 | |
| 314 | Y | A | 0.7809 | |
| 315 | G | A | 0.0000 | |
| 316 | A | A | -0.2842 | |
| 317 | T | A | 0.4916 | |
| 318 | Y | A | 1.2403 | |
| 319 | N | A | 0.1679 | |
| 320 | E | A | -0.5133 | |
| 321 | N | A | -0.9423 | |
| 322 | R | A | -0.8055 | |
| 323 | K | A | -1.3310 | |
| 324 | E | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | E | A | -1.5291 | |
| 328 | Y | A | -0.4796 | |
| 329 | T | A | -0.0175 | |
| 330 | I | A | 0.5363 | |
| 331 | I | A | 0.1976 | |
| 332 | T | A | -0.3857 | |
| 333 | D | A | -0.7610 | |
| 334 | S | A | -0.1677 | |
| 335 | L | A | -0.1141 | |
| 336 | A | A | -0.4099 | |
| 337 | S | A | -0.7588 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | -1.0950 | |
| 340 | K | A | -2.4804 | |
| 341 | S | A | -1.9123 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -2.5448 | |
| 344 | E | A | -3.3067 | |
| 345 | K | A | -2.9253 | |
| 346 | E | A | -2.1950 | |
| 347 | S | A | -1.8468 | |
| 348 | G | A | -1.5328 | |
| 349 | S | A | -1.2772 | |
| 350 | P | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | T | A | -0.2519 | |
| 357 | A | A | -0.2915 | |
| 358 | R | A | -0.4347 | |
| 359 | Y | A | 0.0663 | |
| 360 | Q | A | -1.4545 | |
| 361 | Q | A | -1.9753 | |
| 362 | K | A | -2.2716 | |
| 363 | A | A | -1.3441 | |
| 364 | I | A | -1.2468 | |
| 365 | S | A | -1.2782 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | -2.4445 | |
| 368 | K | A | -2.3059 | |
| 369 | L | A | 0.0000 | |
| 370 | K | A | -2.7286 | |
| 371 | E | A | -3.0547 | |
| 372 | I | A | -2.0082 | |
| 373 | A | A | 0.0000 | |
| 374 | D | A | -3.0410 | |
| 375 | R | A | -2.6344 | |
| 376 | P | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | G | A | 0.1486 | |
| 383 | T | A | 0.1253 | |
| 384 | G | A | -0.1896 | |
| 385 | W | A | 0.0271 | |
| 386 | G | A | -0.2119 | |
| 387 | F | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | D | A | -3.0712 | |
| 390 | D | A | -2.8690 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | E | A | -2.4284 | |
| 394 | F | A | -0.4442 | |
| 395 | A | A | -0.7932 | |
| 396 | D | A | -1.5115 | |
| 397 | Y | A | -1.1107 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.5547 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | H | A | -0.5880 | |
| 404 | G | A | -0.3161 | |
| 405 | V | A | 0.4956 | |
| 406 | G | A | -0.7674 | |
| 407 | D | A | -1.7460 | |
| 408 | F | A | -0.8798 | |
| 409 | N | A | 0.0000 | |
| 410 | H | A | -1.3518 | |
| 411 | L | A | -0.6039 | |
| 412 | S | A | 0.0000 | |
| 413 | V | A | 0.0214 | |
| 414 | R | A | -0.0071 | |
| 415 | S | A | 0.0000 | |
| 416 | A | A | -0.0216 | |
| 417 | V | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | I | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | D | A | 0.0000 | |
| 423 | R | A | -0.8325 | |
| 424 | I | A | 0.0000 | |
| 425 | N | A | -1.2676 | |
| 426 | R | A | -1.8488 | |
| 427 | S | A | 0.0000 | |
| 428 | F | A | -2.0374 | |
| 429 | Q | A | -2.3211 | |
| 430 | E | A | -2.5735 | |
| 0 | H | B | -1.0850 | |
| 1 | M | B | -0.8211 | |
| 2 | K | B | 0.0000 | |
| 3 | R | B | -1.3542 | |
| 4 | Y | B | 0.0000 | |
| 5 | N | B | 0.0000 | |
| 6 | V | B | 0.0000 | |
| 7 | I | B | 0.0000 | |
| 8 | T | B | 0.0000 | |
| 9 | I | B | -0.4819 | |
| 10 | F | B | -0.4379 | |
| 11 | P | B | -1.2022 | |
| 12 | E | B | -2.1338 | |
| 13 | M | B | 0.0000 | |
| 14 | I | B | 0.0000 | |
| 15 | N | B | -1.7313 | |
| 16 | E | B | -1.9572 | |
| 17 | I | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | K | B | -2.2198 | |
| 20 | Y | B | -1.0738 | |
| 21 | G | B | -0.4914 | |
| 22 | V | B | -0.4251 | |
| 23 | L | B | 0.0000 | |
| 24 | S | B | -1.5353 | |
| 25 | K | B | -1.8126 | |
| 26 | G | B | 0.0000 | |
| 27 | I | B | -0.9480 | |
| 28 | D | B | -1.6411 | |
| 29 | I | B | 0.6237 | |
| 30 | G | B | -0.1698 | |
| 31 | L | B | -0.2743 | |
| 32 | F | B | 0.0000 | |
| 33 | R | B | -1.8159 | |
| 34 | V | B | -0.9265 | |
| 35 | N | B | -0.8046 | |
| 36 | P | B | -0.7452 | |
| 37 | I | B | -0.6313 | |
| 38 | N | B | -1.5662 | |
| 39 | L | B | 0.0000 | |
| 40 | R | B | -2.4765 | |
| 41 | D | B | -2.9061 | |
| 42 | Y | B | -2.3290 | |
| 43 | T | B | -3.2201 | |
| 44 | E | B | -3.9434 | |
| 45 | D | B | -4.3318 | |
| 46 | K | B | -3.9645 | |
| 47 | H | B | -3.5599 | |
| 48 | K | B | -4.1994 | |
| 49 | T | B | -2.6366 | |
| 50 | V | B | 0.0000 | |
| 51 | D | B | -0.6141 | |
| 52 | D | B | -0.4298 | |
| 53 | Y | B | -0.1327 | |
| 54 | Q | B | -0.3102 | |
| 55 | Y | B | -0.2168 | |
| 56 | G | B | -0.8033 | |
| 57 | G | B | -0.9049 | |
| 58 | G | B | -1.3393 | |
| 59 | H | B | -1.7600 | |
| 60 | G | B | 0.0000 | |
| 61 | L | B | -0.2864 | |
| 62 | V | B | 0.0000 | |
| 63 | M | B | 0.0000 | |
| 64 | K | B | -0.6703 | |
| 65 | P | B | 0.0000 | |
| 66 | E | B | -0.8948 | |
| 67 | P | B | 0.0000 | |
| 68 | I | B | 0.0000 | |
| 69 | Y | B | -0.5262 | |
| 70 | K | B | -1.7546 | |
| 71 | A | B | 0.0000 | |
| 72 | I | B | 0.0000 | |
| 73 | A | B | -1.5801 | |
| 74 | D | B | -2.2203 | |
| 75 | L | B | -2.1977 | |
| 76 | K | B | -3.1401 | |
| 77 | S | B | -2.4515 | |
| 78 | K | B | -3.0308 | |
| 79 | K | B | -2.7931 | |
| 80 | D | B | -2.9142 | |
| 81 | T | B | 0.0000 | |
| 82 | H | B | -1.2352 | |
| 83 | V | B | 0.0000 | |
| 84 | V | B | 0.0000 | |
| 85 | F | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | D | B | -0.4830 | |
| 88 | P | B | -0.4203 | |
| 89 | R | B | 0.0000 | |
| 90 | G | B | 0.0000 | |
| 91 | E | B | -1.3902 | |
| 92 | Q | B | -1.0040 | |
| 93 | F | B | 0.0000 | |
| 94 | T | B | -1.1671 | |
| 95 | Q | B | 0.0000 | |
| 96 | K | B | -2.4513 | |
| 97 | T | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | E | B | -2.7121 | |
| 100 | R | B | -2.0106 | |
| 101 | L | B | 0.0000 | |
| 102 | Y | B | -1.2238 | |
| 103 | N | B | -1.6187 | |
| 104 | Y | B | -0.8853 | |
| 105 | D | B | -1.3638 | |
| 106 | D | B | 0.0000 | |
| 107 | I | B | 0.0000 | |
| 108 | T | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | C | B | 0.0000 | |
| 112 | G | B | -0.0437 | |
| 113 | R | B | 0.0000 | |
| 114 | Y | B | -0.0314 | |
| 115 | E | B | -0.3563 | |
| 116 | G | B | -0.1305 | |
| 117 | I | B | 0.0017 | |
| 118 | D | B | 0.0000 | |
| 119 | D | B | 0.0000 | |
| 120 | R | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | R | B | -1.2115 | |
| 123 | E | B | -2.0726 | |
| 124 | L | B | -0.6517 | |
| 125 | M | B | -0.7117 | |
| 126 | A | B | -1.3949 | |
| 127 | D | B | -2.1457 | |
| 128 | E | B | -1.5484 | |
| 129 | M | B | -0.7911 | |
| 130 | I | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | I | B | 0.0000 | |
| 133 | G | B | 0.0000 | |
| 134 | D | B | -0.5449 | |
| 135 | F | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | I | B | 0.3114 | |
| 138 | T | B | 0.0000 | |
| 139 | G | B | 0.0000 | |
| 140 | G | B | 0.0000 | |
| 141 | E | B | 0.0000 | |
| 142 | L | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | I | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | D | B | 0.0000 | |
| 150 | A | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | A | B | 0.0000 | |
| 153 | R | B | 0.0000 | |
| 154 | L | B | -0.3271 | |
| 155 | I | B | 0.0000 | |
| 156 | P | B | -0.3897 | |
| 157 | G | B | -0.4842 | |
| 158 | V | B | 0.0000 | |
| 159 | L | B | -0.7937 | |
| 160 | G | B | -1.5605 | |
| 161 | D | B | -2.6956 | |
| 162 | E | B | -1.8839 | |
| 163 | N | B | 0.0000 | |
| 164 | S | B | -1.6620 | |
| 165 | P | B | -1.4408 | |
| 166 | N | B | -2.1809 | |
| 167 | E | B | -2.4954 | |
| 168 | E | B | 0.0000 | |
| 169 | S | B | 0.0000 | |
| 170 | F | B | -0.4842 | |
| 171 | T | B | -1.2750 | |
| 172 | T | B | -0.7898 | |
| 173 | G | B | -0.7265 | |
| 174 | L | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | E | B | -0.7131 | |
| 177 | Y | B | -0.3891 | |
| 178 | P | B | -0.1517 | |
| 179 | H | B | 0.0000 | |
| 180 | F | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | R | B | -2.0070 | |
| 183 | P | B | -1.9297 | |
| 184 | A | B | -2.0843 | |
| 185 | E | B | -2.8963 | |
| 186 | F | B | 0.0000 | |
| 187 | M | B | -0.0544 | |
| 188 | G | B | -1.1891 | |
| 189 | K | B | -2.0788 | |
| 190 | K | B | -2.9946 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -1.2790 | |
| 193 | E | B | -1.6269 | |
| 194 | V | B | -1.1135 | |
| 195 | L | B | 0.0000 | |
| 196 | I | B | 0.3162 | |
| 197 | S | B | -0.5998 | |
| 198 | G | B | -1.6203 | |
| 199 | N | B | -2.5924 | |
| 200 | H | B | -3.0900 | |
| 201 | E | B | -3.3891 | |
| 202 | E | B | -3.3058 | |
| 203 | I | B | 0.0000 | |
| 204 | R | B | -2.7385 | |
| 205 | R | B | -2.8553 | |
| 206 | W | B | -1.5374 | |
| 207 | R | B | -1.3971 | |
| 208 | L | B | -1.0426 | |
| 209 | T | B | -1.1457 | |
| 210 | E | B | -1.2353 | |
| 211 | S | B | 0.0000 | |
| 212 | I | B | 0.0000 | |
| 213 | K | B | -2.1087 | |
| 214 | T | B | -1.5081 | |
| 215 | T | B | 0.0000 | |
| 216 | L | B | -1.0553 | |
| 217 | Q | B | -1.9712 | |
| 218 | N | B | -1.8413 | |
| 219 | R | B | -1.2378 | |
| 220 | P | B | -0.9945 | |
| 221 | D | B | -0.9170 | |
| 222 | M | B | 0.0000 | |
| 223 | I | B | 0.0000 | |
| 224 | L | B | 0.3187 | |
| 225 | R | B | -1.4647 | |
| 226 | K | B | -0.9285 | |
| 227 | S | B | -0.7845 | |
| 228 | L | B | -1.0067 | |
| 229 | S | B | -1.6093 | |
| 230 | R | B | -2.7709 | |
| 231 | E | B | -2.2284 | |
| 232 | E | B | -1.7667 | |
| 233 | E | B | -2.0008 | |
| 234 | Q | B | -1.8691 | |
| 235 | I | B | -1.2103 | |
| 236 | L | B | 0.0000 | |
| 237 | W | B | -0.0700 | |
| 238 | S | B | -0.4297 | |
| 239 | L | B | -0.3621 | |
| 240 | T | B | -0.8436 | |
| 241 | R | B | -1.5172 | |
| 247 | Y | B | 0.3039 | |
| 248 | N | B | -0.4479 | |
| 249 | I | B | -0.1321 | |
| 250 | Y | B | 0.0000 | |
| 251 | V | B | 0.0000 | |
| 252 | A | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | M | B | 0.0000 | |
| 255 | H | B | 0.0000 | |
| 256 | Y | B | 1.1714 | |
| 257 | P | B | 0.2868 | |
| 258 | M | B | 0.0000 | |
| 259 | R | B | -1.2088 | |
| 260 | D | B | -1.5632 | |
| 261 | K | B | -1.8128 | |
| 262 | E | B | -2.7152 | |
| 263 | G | B | -2.0129 | |
| 264 | K | B | -1.8002 | |
| 265 | V | B | 0.7174 | |
| 266 | V | B | 0.8146 | |
| 267 | T | B | 0.7918 | |
| 268 | T | B | 0.3187 | |
| 269 | S | B | -0.0940 | |
| 270 | I | B | -0.2392 | |
| 271 | T | B | -0.4914 | |
| 272 | N | B | -1.1035 | |
| 273 | M | B | -0.4646 | |
| 274 | D | B | 0.0000 | |
| 275 | L | B | 0.0000 | |
| 276 | H | B | -0.2781 | |
| 277 | D | B | 0.0000 | |
| 278 | I | B | 0.0000 | |
| 279 | S | B | -0.7895 | |
| 280 | R | B | -1.3118 | |
| 281 | S | B | 0.0000 | |
| 282 | C | B | 0.0000 | |
| 283 | R | B | -2.0833 | |
| 284 | T | B | 0.0000 | |
| 285 | F | B | 0.0000 | |
| 286 | G | B | -0.6262 | |
| 287 | V | B | 0.0000 | |
| 288 | K | B | -1.3307 | |
| 289 | N | B | 0.0000 | |
| 290 | Y | B | 0.0000 | |
| 291 | F | B | 0.0000 | |
| 292 | V | B | 0.0000 | |
| 293 | V | B | 0.0000 | |
| 294 | N | B | 0.0000 | |
| 295 | P | B | -0.0805 | |
| 296 | M | B | -0.0411 | |
| 297 | P | B | -0.6636 | |
| 298 | A | B | -0.5718 | |
| 299 | Q | B | -0.7996 | |
| 300 | R | B | -1.3251 | |
| 301 | E | B | -2.0238 | |
| 302 | I | B | -1.0231 | |
| 303 | A | B | 0.0000 | |
| 304 | S | B | -1.6097 | |
| 305 | R | B | -2.8230 | |
| 306 | V | B | -1.3454 | |
| 307 | V | B | -0.9912 | |
| 308 | R | B | -2.2793 | |
| 309 | H | B | -1.7679 | |
| 310 | W | B | -0.1760 | |
| 311 | I | B | 0.7966 | |
| 312 | K | B | -1.1295 | |
| 328 | Y | B | 0.2569 | |
| 329 | T | B | 0.3264 | |
| 330 | I | B | 0.8536 | |
| 331 | I | B | 0.2743 | |
| 332 | T | B | -0.1131 | |
| 333 | D | B | -0.5998 | |
| 334 | S | B | -0.0997 | |
| 335 | L | B | -0.0790 | |
| 336 | A | B | -0.3925 | |
| 337 | S | B | -0.7448 | |
| 338 | V | B | 0.0000 | |
| 339 | I | B | -1.1145 | |
| 340 | K | B | -2.5193 | |
| 341 | S | B | -2.0118 | |
| 342 | I | B | 0.0000 | |
| 343 | E | B | -2.6867 | |
| 344 | E | B | -3.5065 | |
| 345 | K | B | -3.3149 | |
| 346 | E | B | -2.3543 | |
| 347 | S | B | -1.8920 | |
| 348 | G | B | -1.6708 | |
| 349 | S | B | -1.4701 | |
| 350 | P | B | 0.0000 | |
| 351 | I | B | -0.7962 | |
| 352 | I | B | 0.0000 | |
| 353 | I | B | 0.0000 | |
| 354 | A | B | 0.0000 | |
| 355 | T | B | 0.0000 | |
| 356 | T | B | -0.1575 | |
| 357 | A | B | -0.2808 | |
| 358 | R | B | -0.8659 | |
| 359 | Y | B | -1.3796 | |
| 360 | Q | B | -2.1521 | |
| 361 | Q | B | -2.7065 | |
| 362 | K | B | -2.3642 | |
| 363 | A | B | 0.0000 | |
| 364 | I | B | 0.0000 | |
| 365 | S | B | -1.2541 | |
| 366 | I | B | 0.0000 | |
| 367 | E | B | -2.0795 | |
| 368 | K | B | -2.2666 | |
| 369 | L | B | 0.0000 | |
| 370 | K | B | -2.0908 | |
| 371 | E | B | -2.8648 | |
| 372 | I | B | -1.7864 | |
| 373 | A | B | 0.0000 | |
| 374 | D | B | -2.7138 | |
| 375 | R | B | -2.4537 | |
| 376 | P | B | -1.2328 | |
| 377 | I | B | 0.0000 | |
| 378 | L | B | 0.0000 | |
| 379 | L | B | 0.0000 | |
| 380 | L | B | 0.0000 | |
| 381 | F | B | 0.0000 | |
| 382 | G | B | 0.0592 | |
| 383 | T | B | -0.0478 | |
| 384 | G | B | -0.3236 | |
| 385 | W | B | -0.3599 | |
| 386 | G | B | -0.2093 | |
| 387 | F | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | D | B | -2.9827 | |
| 390 | D | B | -2.7867 | |
| 391 | I | B | 0.0000 | |
| 392 | L | B | 0.0000 | |
| 393 | E | B | -2.2439 | |
| 394 | F | B | -0.0728 | |
| 395 | A | B | 0.0000 | |
| 396 | D | B | -1.3624 | |
| 397 | Y | B | -0.8080 | |
| 398 | V | B | 0.0000 | |
| 399 | L | B | 0.0000 | |
| 400 | K | B | -1.3680 | |
| 401 | P | B | 0.0000 | |
| 402 | I | B | 0.0000 | |
| 403 | H | B | -0.3968 | |
| 404 | G | B | -0.4895 | |
| 405 | V | B | -0.1766 | |
| 406 | G | B | -0.3973 | |
| 407 | D | B | -0.3255 | |
| 408 | F | B | 0.0000 | |
| 409 | N | B | -0.4072 | |
| 410 | H | B | -0.3304 | |
| 411 | L | B | -0.0052 | |
| 412 | S | B | 0.0000 | |
| 413 | V | B | 0.1893 | |
| 414 | R | B | 0.0000 | |
| 415 | S | B | 0.0000 | |
| 416 | A | B | 0.1004 | |
| 417 | V | B | 0.0000 | |
| 418 | A | B | 0.0000 | |
| 419 | I | B | 0.0000 | |
| 420 | Y | B | 0.0000 | |
| 421 | L | B | 0.0000 | |
| 422 | D | B | 0.0000 | |
| 423 | R | B | -0.6383 | |
| 424 | I | B | 0.0000 | |
| 425 | N | B | 0.0000 | |
| 426 | R | B | -0.9351 | |
| 427 | S | B | -0.6531 | |
| 428 | F | B | 0.0325 | |
| 429 | Q | B | -0.9490 |
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