| Chain sequence(s) |
A: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQT
C: PSQVQLVESGGGSVQAGGSLRLSCAASGKIHEIGYLGWFRQAPGKEREGVAALMTFQGQTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAYWGKQSPLISWDYSYWGQGTQVTVSA B: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTP D: QVQLVESGGGSVQAGGSLRLSCAASGKIHEIGYLGWFRQAPGKEREGVAALMTFQGQTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAYWGKQSPLISWDYSYWGQGTQVTVSA 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. (00:18:37)
|
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 | -2.6571 | |
| 2 | I | A | 0.0000 | |
| 3 | E | A | -3.0549 | |
| 4 | E | A | -3.0246 | |
| 5 | G | A | -1.9582 | |
| 6 | K | A | -2.0084 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.2950 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | -0.0923 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -1.1402 | |
| 13 | G | A | -1.3436 | |
| 14 | D | A | -1.6763 | |
| 15 | K | A | -1.4048 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -0.5902 | |
| 18 | N | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -0.3879 | |
| 22 | E | A | -0.7183 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -2.2772 | |
| 26 | K | A | -3.0060 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -3.2608 | |
| 29 | K | A | -3.7756 | |
| 30 | D | A | -3.3166 | |
| 31 | T | A | -2.1338 | |
| 32 | G | A | -2.1361 | |
| 33 | I | A | -1.9258 | |
| 34 | K | A | -2.0476 | |
| 35 | V | A | -0.9335 | |
| 36 | T | A | -0.4098 | |
| 37 | V | A | -0.0571 | |
| 38 | E | A | -0.7529 | |
| 39 | H | A | -1.2014 | |
| 40 | P | A | -1.3184 | |
| 41 | D | A | -2.0939 | |
| 42 | K | A | -1.6023 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -1.1591 | |
| 45 | E | A | -1.4391 | |
| 46 | K | A | -1.5839 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -1.1358 | |
| 49 | Q | A | -1.5526 | |
| 50 | V | A | -0.9801 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.5758 | |
| 53 | T | A | -0.7844 | |
| 54 | G | A | -1.1196 | |
| 55 | D | A | -1.9053 | |
| 56 | G | A | -1.1212 | |
| 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 | -0.1628 | |
| 63 | A | A | -0.3327 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | -0.6902 | |
| 66 | R | A | -1.0190 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -1.2008 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -1.5865 | |
| 72 | Q | A | -1.7421 | |
| 73 | S | A | -1.1170 | |
| 74 | G | A | -1.1898 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | -1.1736 | |
| 78 | E | A | -2.2186 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.5201 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.9047 | |
| 83 | K | A | -3.3284 | |
| 84 | A | A | -2.2241 | |
| 85 | F | A | -2.3044 | |
| 86 | Q | A | -2.6877 | |
| 87 | D | A | -3.3482 | |
| 88 | K | A | -2.6889 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.8815 | |
| 91 | P | A | -0.9721 | |
| 92 | F | A | -0.3595 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -1.6982 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -2.2041 | |
| 99 | Y | A | -2.2798 | |
| 100 | N | A | -2.6155 | |
| 101 | G | A | -2.5694 | |
| 102 | K | A | -2.4919 | |
| 103 | L | A | 0.0000 | |
| 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 | -0.6143 | |
| 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 | 0.0000 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -2.2928 | |
| 120 | D | A | -2.4508 | |
| 121 | L | A | -1.3163 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.6525 | |
| 124 | N | A | -1.9642 | |
| 125 | P | A | -1.3798 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -2.1555 | |
| 128 | T | A | -1.8312 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -1.5665 | |
| 131 | E | A | -1.6226 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.6335 | |
| 134 | A | A | -1.1853 | |
| 135 | L | A | -1.4508 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.5215 | |
| 138 | E | A | -3.5113 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.5933 | |
| 141 | A | A | -2.7379 | |
| 142 | K | A | -3.1199 | |
| 143 | G | A | -2.7885 | |
| 144 | K | A | -2.7170 | |
| 145 | S | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.0269 | |
| 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 | -1.5792 | |
| 165 | G | A | -0.8101 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.0618 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | K | A | -1.2613 | |
| 171 | Y | A | -1.7391 | |
| 172 | E | A | -3.2214 | |
| 173 | N | A | -3.0990 | |
| 174 | G | A | 0.0000 | |
| 175 | K | A | -3.3066 | |
| 176 | Y | A | 0.0000 | |
| 177 | D | A | -1.1843 | |
| 178 | I | A | 0.2180 | |
| 179 | K | A | -1.2486 | |
| 180 | D | A | -0.8519 | |
| 181 | V | A | -0.3816 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -1.9222 | |
| 185 | N | A | -1.2994 | |
| 186 | A | A | -0.6436 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.1553 | |
| 190 | A | A | -0.5406 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.5887 | |
| 194 | F | A | -0.5530 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -2.4209 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | -2.4500 | |
| 200 | K | A | -3.4759 | |
| 201 | N | A | -3.3864 | |
| 202 | K | A | -3.5037 | |
| 203 | H | A | -2.4795 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.5183 | |
| 206 | A | A | -1.8817 | |
| 207 | D | A | -1.9792 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | 0.0000 | |
| 210 | Y | A | 0.0000 | |
| 211 | S | A | 0.6057 | |
| 212 | I | A | 1.2174 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | A | A | -0.4181 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | 0.0000 | |
| 219 | K | A | -2.2956 | |
| 220 | G | A | -2.0492 | |
| 221 | E | A | -2.5376 | |
| 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 | -0.1624 | |
| 230 | W | A | -0.2294 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -1.0467 | |
| 234 | N | A | -1.6309 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -1.8175 | |
| 237 | T | A | -1.4472 | |
| 238 | S | A | -1.4187 | |
| 239 | K | A | -1.6608 | |
| 240 | V | A | -1.5074 | |
| 241 | N | A | -1.7253 | |
| 242 | Y | A | -1.0504 | |
| 243 | G | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.3712 | |
| 246 | V | A | -0.4683 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.4794 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -2.4189 | |
| 252 | G | A | -1.9610 | |
| 253 | Q | A | -1.8966 | |
| 254 | P | A | -1.3738 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -0.9764 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.3570 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 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 | -0.5793 | |
| 269 | A | A | -0.6917 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -1.5925 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -1.8728 | |
| 274 | E | A | -2.3787 | |
| 275 | L | A | -1.5042 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -1.8790 | |
| 278 | E | A | -1.8937 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -1.2866 | |
| 282 | N | A | -1.5719 | |
| 283 | Y | A | -1.3578 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.7466 | |
| 287 | D | A | -2.4120 | |
| 288 | E | A | -2.6106 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.5673 | |
| 292 | A | A | -1.9008 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -1.9932 | |
| 295 | K | A | -2.4673 | |
| 296 | D | A | -2.0974 | |
| 297 | K | A | -1.8819 | |
| 298 | P | A | -1.2947 | |
| 299 | L | A | -0.7178 | |
| 300 | G | A | -0.2875 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.1328 | |
| 306 | S | A | -1.8702 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | E | A | -3.2492 | |
| 310 | E | A | -3.3868 | |
| 311 | L | A | -2.2005 | |
| 312 | A | A | -2.3170 | |
| 313 | K | A | -2.8363 | |
| 314 | D | A | -1.8807 | |
| 315 | P | A | -1.0769 | |
| 316 | R | A | -0.9395 | |
| 317 | I | A | -1.1325 | |
| 318 | A | A | -1.3297 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | E | A | -1.9529 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -2.0917 | |
| 326 | K | A | -2.0820 | |
| 327 | G | A | -1.3243 | |
| 328 | E | A | -0.5147 | |
| 329 | I | A | -0.3106 | |
| 330 | M | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | 0.0000 | |
| 333 | I | A | -0.4256 | |
| 334 | P | A | -0.7231 | |
| 335 | Q | A | -0.2001 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | 0.1024 | |
| 338 | A | A | 0.0909 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.0000 | |
| 341 | Y | A | 1.0467 | |
| 342 | A | A | 0.2611 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | 0.0000 | |
| 345 | T | A | 0.2252 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.5461 | |
| 349 | N | A | -1.1319 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -1.2709 | |
| 352 | S | A | -1.4865 | |
| 353 | G | A | -1.6844 | |
| 354 | R | A | -2.3604 | |
| 355 | Q | A | -1.9889 | |
| 356 | T | A | -1.7585 | |
| 357 | V | A | -1.7465 | |
| 358 | D | A | -3.0814 | |
| 359 | E | A | -3.0932 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -3.3284 | |
| 363 | D | A | -2.4321 | |
| 364 | A | A | -1.4208 | |
| 365 | Q | A | -1.6268 | |
| 366 | T | A | -1.0342 | |
| 1 | K | B | -2.7325 | |
| 2 | I | B | 0.0000 | |
| 3 | E | B | -3.4087 | |
| 4 | E | B | -3.2492 | |
| 5 | G | B | -2.0224 | |
| 6 | K | B | -2.0240 | |
| 7 | L | B | 0.0000 | |
| 8 | V | B | -0.3411 | |
| 9 | I | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | N | B | -2.0862 | |
| 13 | G | B | -2.3005 | |
| 14 | D | B | -2.4946 | |
| 15 | K | B | -1.8718 | |
| 16 | G | B | 0.0000 | |
| 17 | Y | B | -0.9441 | |
| 18 | N | B | -0.7051 | |
| 19 | G | B | 0.0000 | |
| 20 | L | B | 0.0000 | |
| 21 | A | B | 0.0000 | |
| 22 | E | B | -0.9747 | |
| 23 | V | B | 0.0000 | |
| 24 | G | B | 0.0000 | |
| 25 | K | B | -2.3520 | |
| 26 | K | B | -2.5887 | |
| 27 | F | B | 0.0000 | |
| 28 | E | B | -3.3471 | |
| 29 | K | B | -3.6873 | |
| 30 | D | B | -3.2677 | |
| 31 | T | B | -2.2247 | |
| 32 | G | B | -2.2351 | |
| 33 | I | B | -2.0758 | |
| 34 | K | B | -2.0914 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | -0.5148 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.1345 | |
| 39 | H | B | -1.9528 | |
| 40 | P | B | -2.0842 | |
| 41 | D | B | -3.3307 | |
| 42 | K | B | -3.5256 | |
| 43 | L | B | 0.0000 | |
| 44 | E | B | -2.5186 | |
| 45 | E | B | -2.9940 | |
| 46 | K | B | -2.7609 | |
| 47 | F | B | 0.0000 | |
| 48 | P | B | -1.4818 | |
| 49 | Q | B | -1.8593 | |
| 50 | V | B | -1.0650 | |
| 51 | A | B | 0.0000 | |
| 52 | A | B | -0.5996 | |
| 53 | T | B | -0.8112 | |
| 54 | G | B | -1.0629 | |
| 55 | D | B | -1.8021 | |
| 56 | G | B | -0.9291 | |
| 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 | -0.2204 | |
| 63 | A | B | -0.4254 | |
| 64 | H | B | 0.0000 | |
| 65 | D | B | -0.8359 | |
| 66 | R | B | -0.9677 | |
| 67 | F | B | 0.0000 | |
| 68 | G | B | 0.0000 | |
| 69 | G | B | -0.9676 | |
| 70 | Y | B | 0.0000 | |
| 71 | A | B | -1.4953 | |
| 72 | Q | B | -1.6516 | |
| 73 | S | B | -1.0638 | |
| 74 | G | B | -1.1624 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | A | B | -1.1988 | |
| 78 | E | B | -2.2629 | |
| 79 | I | B | 0.0000 | |
| 80 | T | B | -1.5559 | |
| 81 | P | B | 0.0000 | |
| 82 | D | B | -2.9790 | |
| 83 | K | B | -3.3096 | |
| 84 | A | B | -2.2573 | |
| 85 | F | B | 0.0000 | |
| 86 | Q | B | -2.6781 | |
| 87 | D | B | -3.2453 | |
| 88 | K | B | -2.3843 | |
| 89 | L | B | 0.0000 | |
| 90 | Y | B | -0.8747 | |
| 91 | P | B | -0.8596 | |
| 92 | F | B | -0.2327 | |
| 93 | T | B | 0.0000 | |
| 94 | W | B | 0.0000 | |
| 95 | D | B | -1.1677 | |
| 96 | A | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | -2.1304 | |
| 99 | Y | B | -2.2171 | |
| 100 | N | B | -2.6031 | |
| 101 | G | B | -2.5059 | |
| 102 | K | B | -2.6742 | |
| 103 | L | B | -1.4779 | |
| 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 | -1.0761 | |
| 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 | -0.3887 | |
| 118 | N | B | 0.0000 | |
| 119 | K | B | -1.9112 | |
| 120 | D | B | -2.3752 | |
| 121 | L | B | -1.4513 | |
| 122 | L | B | 0.0000 | |
| 123 | P | B | -1.2254 | |
| 124 | N | B | -1.0106 | |
| 125 | P | B | -0.6799 | |
| 126 | P | B | 0.0000 | |
| 127 | K | B | -2.1062 | |
| 128 | T | B | -2.0058 | |
| 129 | W | B | 0.0000 | |
| 130 | E | B | -2.0975 | |
| 131 | E | B | -1.8600 | |
| 132 | I | B | 0.0000 | |
| 133 | P | B | -1.6184 | |
| 134 | A | B | -1.3422 | |
| 135 | L | B | -1.2957 | |
| 136 | D | B | 0.0000 | |
| 137 | K | B | -3.1731 | |
| 138 | E | B | -2.8980 | |
| 139 | L | B | 0.0000 | |
| 140 | K | B | -3.4382 | |
| 141 | A | B | -2.6063 | |
| 142 | K | B | -3.2380 | |
| 143 | G | B | -2.5747 | |
| 144 | K | B | -2.8328 | |
| 145 | S | B | -1.9895 | |
| 146 | A | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | M | B | -0.1167 | |
| 149 | F | B | 0.0000 | |
| 150 | N | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | Q | B | -0.9989 | |
| 153 | E | B | -0.4436 | |
| 154 | P | B | 0.0000 | |
| 155 | Y | B | -0.0047 | |
| 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 | -1.6578 | |
| 165 | G | B | -0.8498 | |
| 166 | G | B | 0.0000 | |
| 167 | Y | B | -0.1468 | |
| 168 | A | B | 0.0000 | |
| 169 | F | B | 0.0000 | |
| 170 | K | B | -1.7848 | |
| 171 | Y | B | -1.9005 | |
| 172 | E | B | -3.2436 | |
| 173 | N | B | -3.0164 | |
| 174 | G | B | 0.0000 | |
| 175 | K | B | -3.5270 | |
| 176 | Y | B | -2.4093 | |
| 177 | D | B | -2.6373 | |
| 178 | I | B | -1.3415 | |
| 179 | K | B | -2.1645 | |
| 180 | D | B | -1.5938 | |
| 181 | V | B | -0.8193 | |
| 182 | G | B | 0.0000 | |
| 183 | V | B | 0.0000 | |
| 184 | D | B | -1.8655 | |
| 185 | N | B | -1.1861 | |
| 186 | A | B | -0.7923 | |
| 187 | G | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | K | B | -1.4000 | |
| 190 | A | B | -0.8672 | |
| 191 | G | B | 0.0000 | |
| 192 | L | B | 0.0000 | |
| 193 | T | B | -0.6271 | |
| 194 | F | B | -0.5994 | |
| 195 | L | B | 0.0000 | |
| 196 | V | B | 0.0000 | |
| 197 | D | B | -2.3437 | |
| 198 | L | B | 0.0000 | |
| 199 | I | B | 0.0000 | |
| 200 | K | B | -3.5429 | |
| 201 | N | B | -3.3981 | |
| 202 | K | B | -3.5288 | |
| 203 | H | B | 0.0000 | |
| 204 | M | B | 0.0000 | |
| 205 | N | B | -2.6287 | |
| 206 | A | B | -2.0249 | |
| 207 | D | B | -2.1269 | |
| 208 | T | B | 0.0000 | |
| 209 | D | B | -0.7689 | |
| 210 | Y | B | 0.0944 | |
| 211 | S | B | 0.3637 | |
| 212 | I | B | 0.8775 | |
| 213 | A | B | 0.0000 | |
| 214 | E | B | -0.4309 | |
| 215 | A | B | -0.7003 | |
| 216 | A | B | 0.0000 | |
| 217 | F | B | 0.0000 | |
| 218 | N | B | -2.0277 | |
| 219 | K | B | -2.5654 | |
| 220 | G | B | -2.2460 | |
| 221 | E | B | -2.7931 | |
| 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 | -0.0756 | |
| 230 | W | B | 0.2343 | |
| 231 | A | B | 0.0000 | |
| 232 | W | B | 0.0000 | |
| 233 | S | B | -1.0977 | |
| 234 | N | B | -1.8443 | |
| 235 | I | B | 0.0000 | |
| 236 | D | B | -2.0882 | |
| 237 | T | B | -1.5566 | |
| 238 | S | B | -1.7994 | |
| 239 | K | B | -2.1492 | |
| 240 | V | B | 0.0000 | |
| 241 | N | B | -1.5947 | |
| 242 | Y | B | -1.0003 | |
| 243 | G | B | -0.4259 | |
| 244 | V | B | 0.0000 | |
| 245 | T | B | -0.2652 | |
| 246 | V | B | -0.2192 | |
| 247 | L | B | 0.0000 | |
| 248 | P | B | 0.0000 | |
| 249 | T | B | -1.6496 | |
| 250 | F | B | 0.0000 | |
| 251 | K | B | -2.5152 | |
| 252 | G | B | -2.0856 | |
| 253 | Q | B | -1.8811 | |
| 254 | P | B | -1.3262 | |
| 255 | S | B | 0.0000 | |
| 256 | K | B | -1.0037 | |
| 257 | P | B | 0.0000 | |
| 258 | F | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | -0.5457 | |
| 261 | V | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 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 | -0.5840 | |
| 269 | A | B | -0.6433 | |
| 270 | S | B | 0.0000 | |
| 271 | P | B | -1.7302 | |
| 272 | N | B | 0.0000 | |
| 273 | K | B | -2.1787 | |
| 274 | E | B | -2.4617 | |
| 275 | L | B | -1.5994 | |
| 276 | A | B | 0.0000 | |
| 277 | K | B | -1.9487 | |
| 278 | E | B | -2.0687 | |
| 279 | F | B | 0.0000 | |
| 280 | L | B | 0.0000 | |
| 281 | E | B | -1.2008 | |
| 282 | N | B | -1.6457 | |
| 283 | Y | B | -1.2344 | |
| 284 | L | B | 0.0000 | |
| 285 | L | B | 0.0000 | |
| 286 | T | B | -1.4198 | |
| 287 | D | B | -1.9181 | |
| 288 | E | B | -2.4191 | |
| 289 | G | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | E | B | -2.1490 | |
| 292 | A | B | -1.5846 | |
| 293 | V | B | 0.0000 | |
| 294 | N | B | -1.7472 | |
| 295 | K | B | -2.3182 | |
| 296 | D | B | -1.8102 | |
| 297 | K | B | -2.1334 | |
| 298 | P | B | -1.3024 | |
| 299 | L | B | -0.7620 | |
| 300 | G | B | -0.4395 | |
| 301 | A | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | K | B | -1.8416 | |
| 306 | S | B | -1.4205 | |
| 307 | Y | B | 0.0000 | |
| 308 | E | B | 0.0000 | |
| 309 | E | B | -2.3511 | |
| 310 | E | B | -2.0257 | |
| 311 | L | B | -1.5298 | |
| 312 | A | B | -1.8123 | |
| 313 | K | B | -2.4166 | |
| 314 | D | B | -1.7075 | |
| 315 | P | B | -1.1650 | |
| 316 | R | B | -1.0118 | |
| 317 | I | B | 0.0000 | |
| 318 | A | B | -1.1401 | |
| 319 | A | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | M | B | 0.0000 | |
| 322 | E | B | -1.4098 | |
| 323 | N | B | 0.0000 | |
| 324 | A | B | 0.0000 | |
| 325 | Q | B | -1.6373 | |
| 326 | K | B | -1.6651 | |
| 327 | G | B | -1.1107 | |
| 328 | E | B | -0.4308 | |
| 329 | I | B | -0.1243 | |
| 330 | M | B | 0.0318 | |
| 331 | P | B | 0.0000 | |
| 332 | N | B | 0.0000 | |
| 333 | I | B | -0.6506 | |
| 334 | P | B | -0.6496 | |
| 335 | Q | B | -0.3949 | |
| 336 | M | B | 0.0000 | |
| 337 | S | B | 0.0269 | |
| 338 | A | B | 0.1328 | |
| 339 | F | B | 0.0000 | |
| 340 | W | B | 0.5054 | |
| 341 | Y | B | 1.0824 | |
| 342 | A | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | R | B | -0.2870 | |
| 345 | T | B | -0.2499 | |
| 346 | A | B | 0.0000 | |
| 347 | V | B | 0.0000 | |
| 348 | I | B | -0.6601 | |
| 349 | N | B | -1.1372 | |
| 350 | A | B | 0.0000 | |
| 351 | A | B | 0.0000 | |
| 352 | S | B | -1.5326 | |
| 353 | G | B | -1.7059 | |
| 354 | R | B | -2.3556 | |
| 355 | Q | B | -1.9058 | |
| 356 | T | B | -1.5937 | |
| 357 | V | B | -1.8351 | |
| 358 | D | B | -3.2227 | |
| 359 | E | B | -3.2589 | |
| 360 | A | B | 0.0000 | |
| 361 | L | B | 0.0000 | |
| 362 | K | B | -3.7538 | |
| 363 | D | B | -3.3583 | |
| 364 | A | B | 0.0000 | |
| 365 | Q | B | -1.8697 | |
| 366 | T | B | -1.3292 | |
| 367 | P | B | -0.8818 | |
| -1 | P | C | -1.0277 | |
| 0 | S | C | -1.5449 | |
| 1 | Q | C | -1.7836 | |
| 2 | V | C | 0.0000 | |
| 3 | Q | C | -1.4315 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.5306 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.6940 | |
| 8 | G | C | -1.1342 | |
| 9 | G | C | -1.2398 | |
| 10 | G | C | -0.9180 | |
| 11 | S | C | -0.7206 | |
| 12 | V | C | -0.7245 | |
| 13 | Q | C | -1.5280 | |
| 14 | A | C | -1.4711 | |
| 15 | G | C | -1.2546 | |
| 16 | G | C | -1.0178 | |
| 17 | S | C | -1.1263 | |
| 18 | L | C | -1.0033 | |
| 19 | R | C | -1.9986 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.3537 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.3248 | |
| 24 | A | C | -0.8130 | |
| 25 | S | C | -1.2553 | |
| 26 | G | C | -1.8143 | |
| 27 | K | C | -2.1841 | |
| 28 | I | C | -1.5131 | |
| 29 | H | C | -1.5169 | |
| 30 | E | C | -0.4008 | |
| 31 | I | C | 0.0000 | |
| 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 | -1.3516 | |
| 40 | A | C | -1.4436 | |
| 41 | P | C | -1.4289 | |
| 42 | G | C | -2.2097 | |
| 43 | K | C | -2.8681 | |
| 44 | E | C | -2.9179 | |
| 45 | R | C | -1.8908 | |
| 46 | E | C | -1.3632 | |
| 47 | G | C | -0.1330 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | L | C | 0.0000 | |
| 52 | M | C | 0.0000 | |
| 53 | T | C | -0.2903 | |
| 54 | F | C | 0.3788 | |
| 55 | Q | C | -1.0034 | |
| 56 | G | C | -0.7700 | |
| 57 | Q | C | -0.9475 | |
| 58 | T | C | -0.4618 | |
| 59 | Y | C | -0.3713 | |
| 60 | Y | C | -0.8391 | |
| 61 | A | C | -1.3728 | |
| 62 | D | C | -2.3977 | |
| 63 | S | C | -1.7669 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.5526 | |
| 66 | G | C | -1.7719 | |
| 67 | R | C | -1.4569 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.8303 | |
| 70 | V | C | 0.0000 | |
| 71 | S | C | -0.3729 | |
| 72 | L | C | -0.7896 | |
| 73 | D | C | -1.8826 | |
| 74 | N | C | -2.4189 | |
| 75 | A | C | -1.8255 | |
| 76 | K | C | -2.6427 | |
| 77 | N | C | -2.3583 | |
| 78 | T | C | -1.2599 | |
| 79 | V | C | 0.0000 | |
| 80 | Y | C | -0.4618 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2235 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.3662 | |
| 85 | S | C | -1.1622 | |
| 86 | L | C | 0.0000 | |
| 87 | K | C | -2.0904 | |
| 88 | P | C | -1.7660 | |
| 89 | E | C | -2.2644 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -1.0400 | |
| 92 | A | C | 0.0000 | |
| 93 | L | C | -0.5163 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | -0.2033 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | A | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | Y | C | 0.2036 | |
| 101 | W | C | 0.1722 | |
| 102 | G | C | -0.1219 | |
| 103 | K | C | -0.3044 | |
| 104 | Q | C | -0.1606 | |
| 105 | S | C | 0.0662 | |
| 106 | P | C | 0.2327 | |
| 107 | L | C | 0.4770 | |
| 108 | I | C | 0.6138 | |
| 109 | S | C | 0.2889 | |
| 110 | W | C | 0.1000 | |
| 111 | D | C | -0.0571 | |
| 112 | Y | C | 0.0000 | |
| 113 | S | C | -0.2126 | |
| 114 | Y | C | 0.0000 | |
| 115 | W | C | 0.0000 | |
| 116 | G | C | 0.0000 | |
| 117 | Q | C | -0.9884 | |
| 118 | G | C | -0.7056 | |
| 119 | T | C | 0.0000 | |
| 120 | Q | C | -1.3477 | |
| 121 | V | C | 0.0000 | |
| 122 | T | C | -0.9719 | |
| 123 | V | C | 0.0000 | |
| 124 | S | C | -1.1218 | |
| 125 | A | C | -0.5850 | |
| 1 | Q | D | -1.9743 | |
| 2 | V | D | 0.0000 | |
| 3 | Q | D | -1.5253 | |
| 4 | L | D | -0.2528 | |
| 5 | V | D | 0.3831 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.7201 | |
| 8 | G | D | -1.2510 | |
| 9 | G | D | -0.9987 | |
| 10 | G | D | -0.8723 | |
| 11 | S | D | -0.6451 | |
| 12 | V | D | -0.4377 | |
| 13 | Q | D | -1.3688 | |
| 14 | A | D | -1.3934 | |
| 15 | G | D | -1.1349 | |
| 16 | G | D | -0.9090 | |
| 17 | S | D | -1.2444 | |
| 18 | L | D | -1.1935 | |
| 19 | R | D | -2.3187 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | 0.0000 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.3344 | |
| 24 | A | D | -1.0012 | |
| 25 | S | D | -1.4146 | |
| 26 | G | D | -2.0438 | |
| 27 | K | D | -2.9642 | |
| 28 | I | D | -2.2396 | |
| 29 | H | D | -2.5843 | |
| 30 | E | D | -2.1207 | |
| 31 | I | D | 0.0000 | |
| 32 | G | D | 0.0000 | |
| 33 | Y | D | 0.4326 | |
| 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 | -1.8344 | |
| 40 | A | D | -1.8109 | |
| 41 | P | D | -1.3331 | |
| 42 | G | D | -1.9620 | |
| 43 | K | D | -3.2604 | |
| 44 | E | D | -3.4658 | |
| 45 | R | D | -2.5355 | |
| 46 | E | D | -1.6204 | |
| 47 | G | D | -0.5869 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | A | D | 0.0000 | |
| 51 | L | D | 0.0000 | |
| 52 | M | D | 0.1522 | |
| 53 | T | D | -0.0136 | |
| 54 | F | D | 0.8984 | |
| 55 | Q | D | -0.7710 | |
| 56 | G | D | -0.8171 | |
| 57 | Q | D | -1.2891 | |
| 58 | T | D | -0.5462 | |
| 59 | Y | D | -0.1729 | |
| 60 | Y | D | -0.6951 | |
| 61 | A | D | -1.2895 | |
| 62 | D | D | -2.4510 | |
| 63 | S | D | -1.7880 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.5518 | |
| 66 | G | D | -1.7561 | |
| 67 | R | D | -1.6640 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.9894 | |
| 70 | V | D | 0.0000 | |
| 71 | S | D | -0.6191 | |
| 72 | L | D | -0.8984 | |
| 73 | D | D | -2.0761 | |
| 74 | N | D | -2.5395 | |
| 75 | A | D | -1.8454 | |
| 76 | K | D | -2.7262 | |
| 77 | N | D | -2.4018 | |
| 78 | T | D | -1.3092 | |
| 79 | V | D | 0.0000 | |
| 80 | Y | D | 0.0000 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.8245 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.3780 | |
| 85 | S | D | -1.1347 | |
| 86 | L | D | 0.0000 | |
| 87 | K | D | -1.9308 | |
| 88 | P | D | -1.8891 | |
| 89 | E | D | -2.1980 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.9647 | |
| 92 | A | D | 0.0000 | |
| 93 | L | D | -0.1423 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | -0.1925 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | A | D | 0.0000 | |
| 99 | A | D | 0.0000 | |
| 100 | Y | D | 0.2595 | |
| 101 | W | D | 0.4624 | |
| 102 | G | D | -0.6884 | |
| 103 | K | D | -2.1802 | |
| 104 | Q | D | -1.7696 | |
| 105 | S | D | -0.8656 | |
| 106 | P | D | -0.0530 | |
| 107 | L | D | 0.4615 | |
| 108 | I | D | 0.2369 | |
| 109 | S | D | 0.3838 | |
| 110 | W | D | 1.0060 | |
| 111 | D | D | -0.0276 | |
| 112 | Y | D | 0.0000 | |
| 113 | S | D | 0.2573 | |
| 114 | Y | D | -0.1547 | |
| 115 | W | D | 0.1418 | |
| 116 | G | D | -0.2459 | |
| 117 | Q | D | -0.8254 | |
| 118 | G | D | 0.0000 | |
| 119 | T | D | -0.7070 | |
| 120 | Q | D | -0.7502 | |
| 121 | V | D | 0.0000 | |
| 122 | T | D | -0.7150 | |
| 123 | V | D | 0.0000 | |
| 124 | S | D | -1.3415 | |
| 125 | A | D | -1.2507 |
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