| Chain sequence(s) |
A: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQT
C: PSQVQLVESGGGSVQAGGSLRLSCAASGQIEHIGYLGWFRQAPGKEREGVAALITYTGHTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAEWGSQSPLTQWFYRYWGQGTQVTVSA B: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQT D: PSQVQLVESGGGSVQAGGSLRLSCAASGQIEHIGYLGWFRQAPGKEREGVAALITYTGHTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAEWGSQSPLTQWFYRYWGQGTQVTVSA input PDB |
| Selected Chain(s) | A,C,B,D |
| 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:18:26)
[INFO] Main: Simulation completed successfully. (00:18:36)
|
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 | K | A | -2.7203 | |
| 2 | I | A | 0.0000 | |
| 3 | E | A | -3.4497 | |
| 4 | E | A | -3.3537 | |
| 5 | G | A | -2.0626 | |
| 6 | K | A | -2.0250 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.4648 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -0.8652 | |
| 13 | G | A | -0.9148 | |
| 14 | D | A | -0.6928 | |
| 15 | K | A | -1.0701 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -0.7033 | |
| 18 | N | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -0.5714 | |
| 22 | E | A | -0.8604 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -2.2736 | |
| 26 | K | A | -2.6089 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -3.2141 | |
| 29 | K | A | -3.6406 | |
| 30 | D | A | -3.2439 | |
| 31 | T | A | -2.1076 | |
| 32 | G | A | -2.1477 | |
| 33 | I | A | -1.7624 | |
| 34 | K | A | -1.9649 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | -0.6417 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.3795 | |
| 39 | H | A | -1.4091 | |
| 40 | P | A | -1.4706 | |
| 41 | D | A | -2.0407 | |
| 42 | K | A | -1.5482 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | 0.0000 | |
| 45 | E | A | -1.2120 | |
| 46 | K | A | -1.3401 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -0.8679 | |
| 49 | Q | A | -1.2014 | |
| 50 | V | A | -0.5601 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.4846 | |
| 53 | T | A | -0.6028 | |
| 54 | G | A | -0.8821 | |
| 55 | D | A | -1.4821 | |
| 56 | G | A | -0.9140 | |
| 57 | P | A | 0.0000 | |
| 58 | D | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | 0.0433 | |
| 63 | A | A | -0.1241 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | -0.5606 | |
| 66 | R | A | -0.6682 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -1.1696 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -1.6466 | |
| 72 | Q | A | -1.7382 | |
| 73 | S | A | -1.1286 | |
| 74 | G | A | -1.1533 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | E | A | -2.1601 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.5380 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.9675 | |
| 83 | K | A | -3.3159 | |
| 84 | A | A | -2.2670 | |
| 85 | F | A | 0.0000 | |
| 86 | Q | A | -2.6976 | |
| 87 | D | A | -3.2539 | |
| 88 | K | A | -2.4354 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.8448 | |
| 91 | P | A | -0.7665 | |
| 92 | F | A | -0.3539 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -1.4916 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -2.5539 | |
| 99 | Y | A | -2.3846 | |
| 100 | N | A | -2.5450 | |
| 101 | G | A | -2.5460 | |
| 102 | K | A | -2.7969 | |
| 103 | L | A | -1.8264 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | E | A | -0.4797 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | Y | A | -0.5064 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -1.9464 | |
| 120 | D | A | -2.2614 | |
| 121 | L | A | -1.2540 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.5503 | |
| 124 | N | A | -1.8963 | |
| 125 | P | A | -1.2405 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -2.2848 | |
| 128 | T | A | -2.0552 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -2.3370 | |
| 131 | E | A | -2.0444 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.6737 | |
| 134 | A | A | -1.5080 | |
| 135 | L | A | -1.5806 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.1828 | |
| 138 | E | A | -3.2901 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.4248 | |
| 141 | A | A | -2.4394 | |
| 142 | K | A | -2.5488 | |
| 143 | G | A | -2.3857 | |
| 144 | K | A | -2.7309 | |
| 145 | S | A | -1.9711 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.1489 | |
| 149 | F | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | D | A | -1.1437 | |
| 165 | G | A | -0.5112 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.0393 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | -0.5548 | |
| 170 | K | A | -1.3943 | |
| 171 | Y | A | -1.9370 | |
| 172 | E | A | -3.1348 | |
| 173 | N | A | -2.7395 | |
| 174 | G | A | -2.6471 | |
| 175 | K | A | -3.1436 | |
| 176 | Y | A | -1.7743 | |
| 177 | D | A | -1.6741 | |
| 178 | I | A | -0.4141 | |
| 179 | K | A | -1.5796 | |
| 180 | D | A | -1.0714 | |
| 181 | V | A | -0.2913 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -1.8558 | |
| 185 | N | A | -1.0461 | |
| 186 | A | A | -0.6282 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.1142 | |
| 190 | A | A | -0.6678 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.3013 | |
| 194 | F | A | -0.3295 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | -0.9930 | |
| 197 | D | A | -1.7104 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | -2.3863 | |
| 200 | K | A | -3.1430 | |
| 201 | N | A | -3.0783 | |
| 202 | K | A | -3.2765 | |
| 203 | H | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.5056 | |
| 206 | A | A | -1.8538 | |
| 207 | D | A | -2.0731 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | 0.0000 | |
| 210 | Y | A | 0.0000 | |
| 211 | S | A | 0.3636 | |
| 212 | I | A | 0.4645 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | -0.4159 | |
| 215 | A | A | -0.7442 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -1.7264 | |
| 219 | K | A | -2.4192 | |
| 220 | G | A | -2.1263 | |
| 221 | E | A | -2.6041 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | P | A | -0.1981 | |
| 230 | W | A | -0.1717 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -0.8401 | |
| 234 | N | A | -1.2987 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -1.4806 | |
| 237 | T | A | -1.1652 | |
| 238 | S | A | -1.2778 | |
| 239 | K | A | -1.4419 | |
| 240 | V | A | -1.3971 | |
| 241 | N | A | -1.4112 | |
| 242 | Y | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.3884 | |
| 246 | V | A | -0.4760 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.5682 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -2.3569 | |
| 252 | G | A | -1.9029 | |
| 253 | Q | A | -1.4686 | |
| 254 | P | A | -1.1803 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -1.2189 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.3450 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0866 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | A | A | -0.5241 | |
| 269 | A | A | -0.6327 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -1.7568 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -2.1365 | |
| 274 | E | A | -2.5586 | |
| 275 | L | A | -1.7747 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -2.1356 | |
| 278 | E | A | -2.4082 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -1.2553 | |
| 282 | N | A | -1.5899 | |
| 283 | Y | A | -1.3112 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.7389 | |
| 287 | D | A | -2.5844 | |
| 288 | E | A | -2.6819 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.8718 | |
| 292 | A | A | -2.0560 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -2.2229 | |
| 295 | K | A | -2.7010 | |
| 296 | D | A | -2.3688 | |
| 297 | K | A | -2.2810 | |
| 298 | P | A | -1.5800 | |
| 299 | L | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.1015 | |
| 306 | S | A | -1.8953 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | E | A | -3.2816 | |
| 310 | E | A | -3.5426 | |
| 311 | L | A | -2.2621 | |
| 312 | A | A | -2.3713 | |
| 313 | K | A | -2.8826 | |
| 314 | D | A | -1.9451 | |
| 315 | P | A | -1.1336 | |
| 316 | R | A | -1.0439 | |
| 317 | I | A | 0.0000 | |
| 318 | A | A | -1.4304 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | E | A | -1.8801 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -2.1308 | |
| 326 | K | A | -2.0669 | |
| 327 | G | A | -1.6890 | |
| 328 | E | A | -1.3109 | |
| 329 | I | A | 0.0000 | |
| 330 | M | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | -0.6032 | |
| 333 | I | A | -0.6060 | |
| 334 | P | A | -0.6914 | |
| 335 | Q | A | -0.5065 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | -0.4093 | |
| 338 | A | A | -0.1999 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.0000 | |
| 341 | Y | A | 0.1680 | |
| 342 | A | A | -0.2228 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | 0.0000 | |
| 345 | T | A | -0.0493 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.4211 | |
| 349 | N | A | -1.1958 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -1.1978 | |
| 352 | S | A | -1.5397 | |
| 353 | G | A | -1.6911 | |
| 354 | R | A | -2.4097 | |
| 355 | Q | A | -2.1115 | |
| 356 | T | A | -1.6884 | |
| 357 | V | A | -1.6366 | |
| 358 | D | A | -2.9117 | |
| 359 | E | A | -3.2227 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -3.6865 | |
| 363 | D | A | -3.3502 | |
| 364 | A | A | -1.9858 | |
| 365 | Q | A | -1.7167 | |
| 366 | T | A | -1.5205 | |
| 1 | K | B | -2.8419 | |
| 2 | I | B | 0.0000 | |
| 3 | E | B | -3.4271 | |
| 4 | E | B | -3.2145 | |
| 5 | G | B | -2.0333 | |
| 6 | K | B | -2.0062 | |
| 7 | L | B | 0.0000 | |
| 8 | V | B | -0.5306 | |
| 9 | I | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | N | B | -2.1431 | |
| 13 | G | B | -2.2579 | |
| 14 | D | B | -2.4008 | |
| 15 | K | B | -1.8130 | |
| 16 | G | B | 0.0000 | |
| 17 | Y | B | -1.0056 | |
| 18 | N | B | -0.6829 | |
| 19 | G | B | 0.0000 | |
| 20 | L | B | 0.0000 | |
| 21 | A | B | -0.5236 | |
| 22 | E | B | -0.9263 | |
| 23 | V | B | 0.0000 | |
| 24 | G | B | 0.0000 | |
| 25 | K | B | -2.2696 | |
| 26 | K | B | -2.6540 | |
| 27 | F | B | 0.0000 | |
| 28 | E | B | -3.5007 | |
| 29 | K | B | -3.7955 | |
| 30 | D | B | -3.2980 | |
| 31 | T | B | -2.1927 | |
| 32 | G | B | -2.3340 | |
| 33 | I | B | -1.9797 | |
| 34 | K | B | -2.4563 | |
| 35 | V | B | -1.2378 | |
| 36 | T | B | -0.5822 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.4753 | |
| 39 | H | B | -2.1214 | |
| 40 | P | B | -2.2127 | |
| 41 | D | B | -3.3818 | |
| 42 | K | B | -3.5901 | |
| 43 | L | B | 0.0000 | |
| 44 | E | B | -2.7917 | |
| 45 | E | B | -3.0468 | |
| 46 | K | B | -2.8012 | |
| 47 | F | B | 0.0000 | |
| 48 | P | B | -1.5274 | |
| 49 | Q | B | -1.9213 | |
| 50 | V | B | -1.1317 | |
| 51 | A | B | 0.0000 | |
| 52 | A | B | -0.6468 | |
| 53 | T | B | -0.8820 | |
| 54 | G | B | -1.2086 | |
| 55 | D | B | -2.0777 | |
| 56 | G | B | -1.2750 | |
| 57 | P | B | 0.0000 | |
| 58 | D | B | 0.0000 | |
| 59 | I | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | F | B | 0.0000 | |
| 62 | W | B | -0.2163 | |
| 63 | A | B | -0.3712 | |
| 64 | H | B | 0.0000 | |
| 65 | D | B | -0.9363 | |
| 66 | R | B | -0.9587 | |
| 67 | F | B | 0.0000 | |
| 68 | G | B | 0.0000 | |
| 69 | G | B | -0.8565 | |
| 70 | Y | B | 0.0000 | |
| 71 | A | B | -1.4270 | |
| 72 | Q | B | -1.4334 | |
| 73 | S | B | -0.9516 | |
| 74 | G | B | -1.0937 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | E | B | -2.3393 | |
| 79 | I | B | 0.0000 | |
| 80 | T | B | -1.5825 | |
| 81 | P | B | 0.0000 | |
| 82 | D | B | -2.9144 | |
| 83 | K | B | -3.2620 | |
| 84 | A | B | -2.1905 | |
| 85 | F | B | 0.0000 | |
| 86 | Q | B | -2.5054 | |
| 87 | D | B | -3.1717 | |
| 88 | K | B | -2.3968 | |
| 89 | L | B | 0.0000 | |
| 90 | Y | B | -0.7243 | |
| 91 | P | B | -0.7830 | |
| 92 | F | B | -0.0882 | |
| 93 | T | B | 0.0000 | |
| 94 | W | B | 0.0000 | |
| 95 | D | B | -1.1625 | |
| 96 | A | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | -2.0757 | |
| 99 | Y | B | -2.0813 | |
| 100 | N | B | -2.4952 | |
| 101 | G | B | -2.5236 | |
| 102 | K | B | -2.7447 | |
| 103 | L | B | -1.7370 | |
| 104 | I | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | Y | B | 0.0000 | |
| 107 | P | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | E | B | -0.8301 | |
| 112 | A | B | 0.0000 | |
| 113 | L | B | 0.0000 | |
| 114 | S | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | I | B | 0.0000 | |
| 117 | Y | B | 0.0000 | |
| 118 | N | B | 0.0000 | |
| 119 | K | B | -1.7101 | |
| 120 | D | B | -2.1599 | |
| 121 | L | B | -1.3783 | |
| 122 | L | B | 0.0000 | |
| 123 | P | B | -1.4201 | |
| 124 | N | B | -1.3391 | |
| 125 | P | B | -0.9104 | |
| 126 | P | B | 0.0000 | |
| 127 | K | B | -2.1767 | |
| 128 | T | B | -2.0504 | |
| 129 | W | B | 0.0000 | |
| 130 | E | B | -2.3210 | |
| 131 | E | B | -1.9663 | |
| 132 | I | B | 0.0000 | |
| 133 | P | B | -1.7607 | |
| 134 | A | B | -1.5134 | |
| 135 | L | B | -1.5105 | |
| 136 | D | B | 0.0000 | |
| 137 | K | B | -3.3703 | |
| 138 | E | B | -3.4520 | |
| 139 | L | B | 0.0000 | |
| 140 | K | B | -3.2452 | |
| 141 | A | B | -2.6360 | |
| 142 | K | B | -3.2143 | |
| 143 | G | B | -2.4725 | |
| 144 | K | B | -2.6956 | |
| 145 | S | B | 0.0000 | |
| 146 | A | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | M | B | -0.1630 | |
| 149 | F | B | 0.0000 | |
| 150 | N | B | -0.4322 | |
| 151 | L | B | 0.0000 | |
| 152 | Q | B | -0.9643 | |
| 153 | E | B | -0.6514 | |
| 154 | P | B | 0.0000 | |
| 155 | Y | B | -0.1344 | |
| 156 | F | B | 0.0000 | |
| 157 | T | B | 0.0000 | |
| 158 | W | B | 0.0000 | |
| 159 | P | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | A | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | D | B | -1.2991 | |
| 165 | G | B | -0.7534 | |
| 166 | G | B | 0.0000 | |
| 167 | Y | B | -0.1249 | |
| 168 | A | B | 0.0000 | |
| 169 | F | B | 0.0000 | |
| 170 | K | B | -1.6129 | |
| 171 | Y | B | -1.6990 | |
| 172 | E | B | -3.0842 | |
| 173 | N | B | -2.7311 | |
| 174 | G | B | -2.8387 | |
| 175 | K | B | -3.1760 | |
| 176 | Y | B | -1.9421 | |
| 177 | D | B | -2.0211 | |
| 178 | I | B | -0.8798 | |
| 179 | K | B | -1.8911 | |
| 180 | D | B | -1.3944 | |
| 181 | V | B | -0.6546 | |
| 182 | G | B | 0.0000 | |
| 183 | V | B | 0.0000 | |
| 184 | D | B | -2.1616 | |
| 185 | N | B | -1.1515 | |
| 186 | A | B | -0.7598 | |
| 187 | G | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | K | B | -1.7022 | |
| 190 | A | B | -0.7803 | |
| 191 | G | B | 0.0000 | |
| 192 | L | B | 0.0000 | |
| 193 | T | B | -0.5672 | |
| 194 | F | B | -0.5982 | |
| 195 | L | B | 0.0000 | |
| 196 | V | B | 0.0000 | |
| 197 | D | B | -2.1328 | |
| 198 | L | B | 0.0000 | |
| 199 | I | B | 0.0000 | |
| 200 | K | B | -3.4787 | |
| 201 | N | B | -3.3547 | |
| 202 | K | B | -3.5550 | |
| 203 | H | B | -2.4338 | |
| 204 | M | B | 0.0000 | |
| 205 | N | B | -2.7036 | |
| 206 | A | B | -2.0047 | |
| 207 | D | B | -2.1319 | |
| 208 | T | B | 0.0000 | |
| 209 | D | B | -0.7996 | |
| 210 | Y | B | 0.2532 | |
| 211 | S | B | 0.3450 | |
| 212 | I | B | 0.8042 | |
| 213 | A | B | 0.0000 | |
| 214 | E | B | -0.3654 | |
| 215 | A | B | -0.5572 | |
| 216 | A | B | -1.0302 | |
| 217 | F | B | 0.0000 | |
| 218 | N | B | 0.0000 | |
| 219 | K | B | -2.3677 | |
| 220 | G | B | -2.0837 | |
| 221 | E | B | -2.7128 | |
| 222 | T | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | M | B | 0.0000 | |
| 225 | T | B | 0.0000 | |
| 226 | I | B | 0.0000 | |
| 227 | N | B | 0.0000 | |
| 228 | G | B | 0.0000 | |
| 229 | P | B | -0.0515 | |
| 230 | W | B | 0.2541 | |
| 231 | A | B | 0.0000 | |
| 232 | W | B | 0.0000 | |
| 233 | S | B | -1.0511 | |
| 234 | N | B | -1.6539 | |
| 235 | I | B | 0.0000 | |
| 236 | D | B | -1.9261 | |
| 237 | T | B | -1.3077 | |
| 238 | S | B | -1.5183 | |
| 239 | K | B | -1.6438 | |
| 240 | V | B | -1.5147 | |
| 241 | N | B | -1.4306 | |
| 242 | Y | B | -0.9237 | |
| 243 | G | B | -0.4217 | |
| 244 | V | B | 0.0000 | |
| 245 | T | B | -0.4009 | |
| 246 | V | B | -0.4417 | |
| 247 | L | B | 0.0000 | |
| 248 | P | B | 0.0000 | |
| 249 | T | B | -1.6114 | |
| 250 | F | B | 0.0000 | |
| 251 | K | B | -2.4038 | |
| 252 | G | B | -1.9650 | |
| 253 | Q | B | -1.6019 | |
| 254 | P | B | -1.2395 | |
| 255 | S | B | 0.0000 | |
| 256 | K | B | -1.1076 | |
| 257 | P | B | 0.0000 | |
| 258 | F | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | -0.4267 | |
| 261 | V | B | 0.0000 | |
| 262 | L | B | -0.0001 | |
| 263 | S | B | 0.0000 | |
| 264 | A | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | I | B | 0.0000 | |
| 267 | N | B | 0.0000 | |
| 268 | A | B | -0.6081 | |
| 269 | A | B | -0.6874 | |
| 270 | S | B | 0.0000 | |
| 271 | P | B | -1.6660 | |
| 272 | N | B | 0.0000 | |
| 273 | K | B | -1.9656 | |
| 274 | E | B | -2.4939 | |
| 275 | L | B | -1.4246 | |
| 276 | A | B | 0.0000 | |
| 277 | K | B | -2.0436 | |
| 278 | E | B | -2.3138 | |
| 279 | F | B | 0.0000 | |
| 280 | L | B | 0.0000 | |
| 281 | E | B | -1.2929 | |
| 282 | N | B | -1.7224 | |
| 283 | Y | B | -1.2713 | |
| 284 | L | B | 0.0000 | |
| 285 | L | B | 0.0000 | |
| 286 | T | B | -1.3967 | |
| 287 | D | B | -1.8567 | |
| 288 | E | B | -2.4029 | |
| 289 | G | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | E | B | -1.9481 | |
| 292 | A | B | -1.2526 | |
| 293 | V | B | 0.0000 | |
| 294 | N | B | -1.2090 | |
| 295 | K | B | -1.1787 | |
| 296 | D | B | -1.2646 | |
| 297 | K | B | -1.5289 | |
| 298 | P | B | -0.8059 | |
| 299 | L | B | -0.4365 | |
| 300 | G | B | -0.3437 | |
| 301 | A | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | K | B | -1.9044 | |
| 306 | S | B | -1.5187 | |
| 307 | Y | B | 0.0000 | |
| 308 | E | B | 0.0000 | |
| 309 | E | B | -2.6979 | |
| 310 | E | B | -2.2673 | |
| 311 | L | B | -1.7136 | |
| 312 | A | B | -1.9880 | |
| 313 | K | B | -2.5437 | |
| 314 | D | B | -1.7765 | |
| 315 | P | B | -1.1587 | |
| 316 | R | B | -1.0473 | |
| 317 | I | B | 0.0000 | |
| 318 | A | B | -1.2955 | |
| 319 | A | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | M | B | 0.0000 | |
| 322 | E | B | -1.7323 | |
| 323 | N | B | 0.0000 | |
| 324 | A | B | 0.0000 | |
| 325 | Q | B | -1.7466 | |
| 326 | K | B | -1.8650 | |
| 327 | G | B | -1.2883 | |
| 328 | E | B | -0.5513 | |
| 329 | I | B | -0.2734 | |
| 330 | M | B | -0.0787 | |
| 331 | P | B | 0.0000 | |
| 332 | N | B | 0.0000 | |
| 333 | I | B | -0.4268 | |
| 334 | P | B | -0.6952 | |
| 335 | Q | B | -0.3943 | |
| 336 | M | B | 0.0000 | |
| 337 | S | B | 0.0687 | |
| 338 | A | B | 0.1805 | |
| 339 | F | B | 0.0000 | |
| 340 | W | B | 0.3593 | |
| 341 | Y | B | 0.9427 | |
| 342 | A | B | -0.0315 | |
| 343 | V | B | 0.0000 | |
| 344 | R | B | -0.6234 | |
| 345 | T | B | -0.3284 | |
| 346 | A | B | 0.0000 | |
| 347 | V | B | 0.0000 | |
| 348 | I | B | -0.4589 | |
| 349 | N | B | -1.1691 | |
| 350 | A | B | 0.0000 | |
| 351 | A | B | -1.2524 | |
| 352 | S | B | -1.5592 | |
| 353 | G | B | -1.7691 | |
| 354 | R | B | -2.5222 | |
| 355 | Q | B | -2.2071 | |
| 356 | T | B | -1.8578 | |
| 357 | V | B | -1.7043 | |
| 358 | D | B | -2.9292 | |
| 359 | E | B | -3.6097 | |
| 360 | A | B | 0.0000 | |
| 361 | L | B | 0.0000 | |
| 362 | K | B | -3.8514 | |
| 363 | D | B | -3.3906 | |
| 364 | A | B | 0.0000 | |
| 365 | Q | B | -1.8072 | |
| 366 | T | B | -1.1162 | |
| -1 | P | C | -1.0253 | |
| 0 | S | C | -1.5583 | |
| 1 | Q | C | -2.0365 | |
| 2 | V | C | 0.0000 | |
| 3 | Q | C | -1.6814 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.2069 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.7635 | |
| 8 | G | C | -1.1252 | |
| 9 | G | C | -1.2045 | |
| 10 | G | C | -0.9041 | |
| 11 | S | C | -0.7300 | |
| 12 | V | C | -0.8577 | |
| 13 | Q | C | -1.5752 | |
| 14 | A | C | -1.5588 | |
| 15 | G | C | -1.2819 | |
| 16 | G | C | -0.9861 | |
| 17 | S | C | -1.1595 | |
| 18 | L | C | -1.0188 | |
| 19 | R | C | -2.0098 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.4240 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.4243 | |
| 24 | A | C | -0.8864 | |
| 25 | S | C | -1.4539 | |
| 26 | G | C | -1.9381 | |
| 27 | Q | C | -2.3604 | |
| 28 | I | C | -1.7938 | |
| 29 | E | C | -2.1930 | |
| 30 | H | C | -1.2096 | |
| 31 | I | C | -0.5684 | |
| 32 | G | C | 0.0000 | |
| 33 | Y | C | 0.0000 | |
| 34 | L | C | 0.0000 | |
| 35 | G | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | F | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -1.3968 | |
| 40 | A | C | -1.2869 | |
| 41 | P | C | -1.2453 | |
| 42 | G | C | -2.0256 | |
| 43 | K | C | -2.5712 | |
| 44 | E | C | -2.7144 | |
| 45 | R | C | 0.0000 | |
| 46 | E | C | -1.7701 | |
| 47 | G | C | -0.7145 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | L | C | 0.0000 | |
| 52 | I | C | 0.0000 | |
| 53 | T | C | -0.1365 | |
| 54 | Y | C | 0.1838 | |
| 55 | T | C | -0.4088 | |
| 56 | G | C | -0.4483 | |
| 57 | H | C | -0.6030 | |
| 58 | T | C | -0.1361 | |
| 59 | Y | C | -0.1987 | |
| 60 | Y | C | -0.7857 | |
| 61 | A | C | -1.3995 | |
| 62 | D | C | -2.4105 | |
| 63 | S | C | -1.8018 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.5456 | |
| 66 | G | C | -1.7594 | |
| 67 | R | C | -1.4409 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.7933 | |
| 70 | V | C | 0.0000 | |
| 71 | S | C | -0.2351 | |
| 72 | L | C | -0.5931 | |
| 73 | D | C | -1.6481 | |
| 74 | N | C | -2.1412 | |
| 75 | A | C | -1.6742 | |
| 76 | K | C | -2.4531 | |
| 77 | N | C | -1.8545 | |
| 78 | T | C | -1.0713 | |
| 79 | V | C | 0.0000 | |
| 80 | Y | C | -0.4000 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.1694 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.3629 | |
| 85 | S | C | -1.1577 | |
| 86 | L | C | 0.0000 | |
| 87 | K | C | -2.2079 | |
| 88 | P | C | -1.7832 | |
| 89 | E | C | -2.2753 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -1.1044 | |
| 92 | A | C | 0.0000 | |
| 93 | L | C | -0.5052 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | A | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | E | C | -0.5767 | |
| 101 | W | C | -0.0968 | |
| 102 | G | C | -0.1548 | |
| 103 | S | C | -0.1849 | |
| 104 | Q | C | -0.2282 | |
| 105 | S | C | 0.0000 | |
| 106 | P | C | 0.0000 | |
| 107 | L | C | 0.3371 | |
| 108 | T | C | 0.0237 | |
| 109 | Q | C | -0.1629 | |
| 110 | W | C | 0.3018 | |
| 111 | F | C | 0.0000 | |
| 112 | Y | C | 0.0000 | |
| 113 | R | C | -0.3822 | |
| 114 | Y | C | 0.0000 | |
| 115 | W | C | -0.6338 | |
| 116 | G | C | 0.0000 | |
| 117 | Q | C | -1.1075 | |
| 118 | G | C | -0.7693 | |
| 119 | T | C | -0.8946 | |
| 120 | Q | C | -1.3507 | |
| 121 | V | C | 0.0000 | |
| 122 | T | C | -1.0066 | |
| 123 | V | C | 0.0000 | |
| 124 | S | C | -1.1414 | |
| 125 | A | C | -0.8215 | |
| -1 | P | D | -0.6684 | |
| 0 | S | D | -1.1277 | |
| 1 | Q | D | -1.4836 | |
| 2 | V | D | 0.0000 | |
| 3 | Q | D | -1.6700 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | -0.2499 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.9626 | |
| 8 | G | D | -1.2158 | |
| 9 | G | D | -1.0763 | |
| 10 | G | D | -0.8848 | |
| 11 | S | D | -0.5349 | |
| 12 | V | D | -0.5065 | |
| 13 | Q | D | -1.4421 | |
| 14 | A | D | -1.6197 | |
| 15 | G | D | -1.3163 | |
| 16 | G | D | -1.0179 | |
| 17 | S | D | -1.0774 | |
| 18 | L | D | -0.7673 | |
| 19 | R | D | -1.4262 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.3190 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.5817 | |
| 24 | A | D | -0.9242 | |
| 25 | S | D | -1.4899 | |
| 26 | G | D | -1.7979 | |
| 27 | Q | D | -2.3698 | |
| 28 | I | D | -1.9574 | |
| 29 | E | D | -2.5524 | |
| 30 | H | D | -1.5799 | |
| 31 | I | D | -0.4279 | |
| 32 | G | D | 0.0000 | |
| 33 | Y | D | 0.4770 | |
| 34 | L | D | 0.0000 | |
| 35 | G | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | F | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -1.8387 | |
| 40 | A | D | -1.7866 | |
| 41 | P | D | -1.3761 | |
| 42 | G | D | -1.9093 | |
| 43 | K | D | -3.2334 | |
| 44 | E | D | -3.3843 | |
| 45 | R | D | -2.4949 | |
| 46 | E | D | -2.1481 | |
| 47 | G | D | -0.5904 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | A | D | 0.0000 | |
| 51 | L | D | 0.0000 | |
| 52 | I | D | 0.0000 | |
| 53 | T | D | 0.2513 | |
| 54 | Y | D | 0.9509 | |
| 55 | T | D | 0.0427 | |
| 56 | G | D | -0.5675 | |
| 57 | H | D | -0.9492 | |
| 58 | T | D | -0.3836 | |
| 59 | Y | D | -0.0006 | |
| 60 | Y | D | -0.6361 | |
| 61 | A | D | -1.3426 | |
| 62 | D | D | -2.3923 | |
| 63 | S | D | -1.8240 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.5124 | |
| 66 | G | D | -1.7846 | |
| 67 | R | D | -1.5141 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.6777 | |
| 70 | V | D | 0.0000 | |
| 71 | S | D | -0.1733 | |
| 72 | L | D | -0.5458 | |
| 73 | D | D | -1.4947 | |
| 74 | N | D | -2.1137 | |
| 75 | A | D | -1.6604 | |
| 76 | K | D | -2.4833 | |
| 77 | N | D | -1.9895 | |
| 78 | T | D | 0.0000 | |
| 79 | V | D | 0.0000 | |
| 80 | Y | D | -0.2030 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -0.9055 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.3676 | |
| 85 | S | D | -1.3134 | |
| 86 | L | D | 0.0000 | |
| 87 | K | D | -2.5513 | |
| 88 | P | D | -2.1111 | |
| 89 | E | D | -2.3842 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -1.1852 | |
| 92 | A | D | 0.0000 | |
| 93 | L | D | -0.4823 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | -0.3774 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | A | D | 0.0000 | |
| 99 | A | D | 0.0000 | |
| 100 | E | D | -0.3569 | |
| 101 | W | D | 0.3951 | |
| 102 | G | D | -0.4685 | |
| 103 | S | D | -0.8047 | |
| 104 | Q | D | -1.0524 | |
| 105 | S | D | -0.3681 | |
| 106 | P | D | 0.2972 | |
| 107 | L | D | 0.7430 | |
| 108 | T | D | 0.1891 | |
| 109 | Q | D | 0.0598 | |
| 110 | W | D | 0.6724 | |
| 111 | F | D | 0.0000 | |
| 112 | Y | D | 0.0000 | |
| 113 | R | D | -1.5220 | |
| 114 | Y | D | 0.0000 | |
| 115 | W | D | -0.5066 | |
| 116 | G | D | -0.5473 | |
| 117 | Q | D | -1.2513 | |
| 118 | G | D | -0.7681 | |
| 119 | T | D | 0.0000 | |
| 120 | Q | D | -1.2776 | |
| 121 | V | D | 0.0000 | |
| 122 | T | D | -0.9494 | |
| 123 | V | D | 0.0000 | |
| 124 | S | D | -1.4275 | |
| 125 | A | D | -1.1554 |
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