| Chain sequence(s) |
A: NKLTTSWGAPVGDNQNSMTAGSRGPTLIQDVHLLEKLAHFNRERVPERVVHAKGAGAHGYFEVTNDVTKYTKAAFLSEVGKRTPLFIRFSTVAGELGSADTVRDPRGFAVKFYTEEGNYDIVGNNTPVFFIRDAIKFPDFIHTQKRDPKTHLKNPTAVWDFWSLSPESLHQVTILMSDRGIPATLRHMHGFGSHTFKWTNAEGEGVWIKYHFKTEQGVKNLDVNTAAKIAGENPDYHTEDLFNAIENGDYPAWKLYVQIMPLEDANTYRFDPFDVTKVWSQKDYPLIEVGRMVLDRNPENYFAEVEQATFSPGTLVPGIDVSPDKMLQGRLFAYHDAHRYRVGANHQALPINRARNKVNNYQRDGQMRFDDNGGGSVYYEPNSFGGPKESPEDKQAAYPVQGIADSVSYDHYDHYTQAGDLYRLMSEDERTRLVENIVNAMKPVEKEEIKLRQIEHFYKADPEYGKRVAEGL
C: NKLTTSWGAPVGDNQNSMTAGSRGPTLIQDVHLLEKLAHFNRERVPERVVHAKGAGAHGYFEVTNDVTKYTKAAFLSEVGKRTPLFIRFSTVAGELGSADTVRDPRGFAVKFYTEEGNYDIVGNNTPVFFIRDAIKFPDFIHTQKRDPKTHLKNPTAVWDFWSLSPESLHQVTILMSDRGIPATLRHMHGFGSHTFKWTNAEGEGVWIKYHFKTEQGVKNLDVNTAAKIAGENPDYHTEDLFNAIENGDYPAWKLYVQIMPLEDANTYRFDPFDVTKVWSQKDYPLIEVGRMVLDRNPENYFAEVEQATFSPGTLVPGIDVSPDKMLQGRLFAYHDAHRYRVGANHQALPINRARNKVNNYQRDGQMRFDDNGGGSVYYEPNSFGGPKESPEDKQAAYPVQGIADSVSYDHYDHYTQAGDLYRLMSEDERTRLVENIVNAMKPVEKEEIKLRQIEHFYKADPEYGKRVAEGL B: NKLTTSWGAPVGDNQNSMTAGSRGPTLIQDVHLLEKLAHFNRERVPERVVHAKGAGAHGYFEVTNDVTKYTKAAFLSEVGKRTPLFIRFSTVAGELGSADTVRDPRGFAVKFYTEEGNYDIVGNNTPVFFIRDAIKFPDFIHTQKRDPKTHLKNPTAVWDFWSLSPESLHQVTILMSDRGIPATLRHMHGFGSHTFKWTNAEGEGVWIKYHFKTEQGVKNLDVNTAAKIAGENPDYHTEDLFNAIENGDYPAWKLYVQIMPLEDANTYRFDPFDVTKVWSQKDYPLIEVGRMVLDRNPENYFAEVEQATFSPGTLVPGIDVSPDKMLQGRLFAYHDAHRYRVGANHQALPINRARNKVNNYQRDGQMRFDDNGGGSVYYEPNSFGGPKESPEDKQAAYPVQGIADSVSYDHYDHYTQAGDLYRLMSEDERTRLVENIVNAMKPVEKEEIKLRQIEHFYKADPEYGKRVAEGL D: NKLTTSWGAPVGDNQNSMTAGSRGPTLIQDVHLLEKLAHFNRERVPERVVHAKGAGAHGYFEVTNDVTKYTKAAFLSEVGKRTPLFIRFSTVAGELGSADTVRDPRGFAVKFYTEEGNYDIVGNNTPVFFIRDAIKFPDFIHTQKRDPKTHLKNPTAVWDFWSLSPESLHQVTILMSDRGIPATLRHMHGFGSHTFKWTNAEGEGVWIKYHFKTEQGVKNLDVNTAAKIAGENPDYHTEDLFNAIENGDYPAWKLYVQIMPLEDANTYRFDPFDVTKVWSQKDYPLIEVGRMVLDRNPENYFAEVEQATFSPGTLVPGIDVSPDKMLQGRLFAYHDAHRYRVGANHQALPINRARNKVNNYQRDGQMRFDDNGGGSVYYEPNSFGGPKESPEDKQAAYPVQGIADSVSYDHYDHYTQAGDLYRLMSEDERTRLVENIVNAMKPVEKEEIKLRQIEHFYKADPEYGKRVAEGL input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| 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 (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:04)
[INFO] CABS: Running CABS flex simulation (00:48:38)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (22:11:13)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (22:12:49)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (22:14:18)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (22:15:51)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (22:17:21)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (22:18:47)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (22:20:15)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (22:21:40)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (22:23:05)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (22:24:32)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (22:26:02)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (22:27:29)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (22:29:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (22:33:22)
[INFO] Movie: Creting movie with webm format (23:24:07)
[INFO] Main: Simulation completed successfully. (23:25:38)
|
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 | |
| 4 | N | A | -1.6559 | |
| 5 | K | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | T | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | S | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | P | A | -0.4860 | |
| 14 | V | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | D | A | 0.0000 | |
| 17 | N | A | 0.0000 | |
| 18 | Q | A | 0.0000 | |
| 19 | N | A | -0.2840 | |
| 20 | S | A | 0.0000 | |
| 21 | M | A | 0.0000 | |
| 22 | T | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | S | A | 0.2930 | |
| 26 | R | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | D | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | L | A | 0.0634 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | 0.0000 | |
| 39 | K | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | H | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | N | A | 0.0000 | |
| 45 | R | A | 0.0000 | |
| 46 | E | A | 0.0000 | |
| 47 | R | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | E | A | 0.1728 | |
| 51 | R | A | 0.0000 | |
| 52 | V | A | 1.8776 | |
| 53 | V | A | 0.0000 | |
| 54 | H | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | H | A | -0.5489 | |
| 62 | G | A | 0.0100 | |
| 63 | Y | A | -0.1080 | |
| 64 | F | A | 0.0000 | |
| 65 | E | A | -3.1505 | |
| 66 | V | A | -2.5328 | |
| 67 | T | A | -2.0436 | |
| 68 | N | A | -2.2547 | |
| 69 | D | A | -2.3351 | |
| 70 | V | A | -1.3452 | |
| 71 | T | A | -1.0257 | |
| 72 | K | A | -1.8858 | |
| 73 | Y | A | -1.7447 | |
| 74 | T | A | 0.0000 | |
| 75 | K | A | -2.1011 | |
| 76 | A | A | 0.0000 | |
| 77 | A | A | -0.7919 | |
| 78 | F | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | -1.7740 | |
| 81 | E | A | 0.0000 | |
| 82 | V | A | -1.7511 | |
| 83 | G | A | -2.0431 | |
| 84 | K | A | -3.2096 | |
| 85 | R | A | -3.1607 | |
| 86 | T | A | 0.0000 | |
| 87 | P | A | -0.8269 | |
| 88 | L | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | R | A | -0.2725 | |
| 92 | F | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | V | A | 2.0068 | |
| 96 | A | A | 0.9483 | |
| 97 | G | A | 0.0000 | |
| 98 | E | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | G | A | -0.2097 | |
| 101 | S | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | V | A | 0.0066 | |
| 106 | R | A | 0.2215 | |
| 107 | D | A | 0.0000 | |
| 108 | P | A | 0.1863 | |
| 109 | R | A | 0.0000 | |
| 110 | G | A | 0.0787 | |
| 111 | F | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | K | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | E | A | -3.7665 | |
| 119 | E | A | -3.2683 | |
| 120 | G | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | Y | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | N | A | -0.2364 | |
| 128 | N | A | 0.0000 | |
| 129 | T | A | -0.2011 | |
| 130 | P | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | F | A | 0.3633 | |
| 133 | F | A | 0.4178 | |
| 134 | I | A | 0.0000 | |
| 135 | R | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | F | A | 0.4421 | |
| 141 | P | A | 0.3229 | |
| 142 | D | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | I | A | 0.3688 | |
| 145 | H | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | Q | A | -0.6057 | |
| 148 | K | A | -0.5573 | |
| 149 | R | A | -1.0483 | |
| 150 | D | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | K | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | H | A | -0.8982 | |
| 155 | L | A | -0.7238 | |
| 156 | K | A | -1.3094 | |
| 157 | N | A | -1.0533 | |
| 158 | P | A | 0.0000 | |
| 159 | T | A | -1.1663 | |
| 160 | A | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | W | A | 0.0000 | |
| 163 | D | A | -0.6954 | |
| 164 | F | A | 0.0000 | |
| 165 | W | A | 0.0000 | |
| 166 | S | A | -0.4931 | |
| 167 | L | A | -0.0102 | |
| 168 | S | A | 0.0000 | |
| 169 | P | A | 0.0000 | |
| 170 | E | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | H | A | 0.0000 | |
| 174 | Q | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | L | A | 0.1092 | |
| 179 | M | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | R | A | -0.5785 | |
| 183 | G | A | 0.0000 | |
| 184 | I | A | -0.0265 | |
| 185 | P | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -1.7785 | |
| 190 | H | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | H | A | -0.5952 | |
| 193 | G | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | H | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | K | A | 0.0000 | |
| 201 | W | A | 0.0000 | |
| 202 | T | A | -0.5580 | |
| 203 | N | A | -1.2882 | |
| 204 | A | A | -1.1985 | |
| 205 | E | A | -2.4257 | |
| 206 | G | A | -2.1143 | |
| 207 | E | A | -1.6533 | |
| 208 | G | A | -1.0105 | |
| 209 | V | A | 0.0000 | |
| 210 | W | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | K | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | H | A | -0.2445 | |
| 215 | F | A | 0.0000 | |
| 216 | K | A | -1.6187 | |
| 217 | T | A | 0.0000 | |
| 218 | E | A | -2.7276 | |
| 219 | Q | A | -2.1596 | |
| 220 | G | A | -1.0948 | |
| 221 | V | A | -0.1634 | |
| 222 | K | A | -1.6083 | |
| 223 | N | A | -0.7165 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -0.7819 | |
| 226 | V | A | -0.3751 | |
| 227 | N | A | -0.9854 | |
| 228 | T | A | -0.6926 | |
| 229 | A | A | 0.0000 | |
| 230 | A | A | -1.3936 | |
| 231 | K | A | -2.3995 | |
| 232 | I | A | -1.0180 | |
| 233 | A | A | 0.0000 | |
| 234 | G | A | -2.1730 | |
| 235 | E | A | -2.5177 | |
| 236 | N | A | -1.1599 | |
| 237 | P | A | -0.7113 | |
| 238 | D | A | 0.0000 | |
| 239 | Y | A | 0.0320 | |
| 240 | H | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -1.5219 | |
| 243 | D | A | -1.3284 | |
| 244 | L | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | N | A | -3.2983 | |
| 247 | A | A | -2.6426 | |
| 248 | I | A | 0.0000 | |
| 249 | E | A | -3.9170 | |
| 250 | N | A | -3.2896 | |
| 251 | G | A | -2.5045 | |
| 252 | D | A | -2.1546 | |
| 253 | Y | A | 0.0180 | |
| 254 | P | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | W | A | -1.1231 | |
| 257 | K | A | -2.0064 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | -0.3403 | |
| 260 | V | A | 0.0000 | |
| 261 | Q | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | P | A | -1.1651 | |
| 265 | L | A | -0.9241 | |
| 266 | E | A | -2.2818 | |
| 267 | D | A | -1.6912 | |
| 268 | A | A | 0.0000 | |
| 269 | N | A | -1.5790 | |
| 270 | T | A | -0.9906 | |
| 271 | Y | A | -0.1739 | |
| 272 | R | A | 0.1306 | |
| 273 | F | A | 1.3580 | |
| 274 | D | A | 0.3532 | |
| 275 | P | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | D | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | T | A | -1.0052 | |
| 280 | K | A | -0.7841 | |
| 281 | V | A | 0.0000 | |
| 282 | W | A | 0.0000 | |
| 283 | S | A | -1.0667 | |
| 284 | Q | A | -1.3850 | |
| 285 | K | A | -1.8255 | |
| 286 | D | A | -1.8624 | |
| 287 | Y | A | -0.4838 | |
| 288 | P | A | 0.0701 | |
| 289 | L | A | 0.9497 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.4026 | |
| 292 | V | A | 0.0000 | |
| 293 | G | A | -2.1877 | |
| 294 | R | A | -2.6264 | |
| 295 | M | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | D | A | -1.4432 | |
| 299 | R | A | -2.7176 | |
| 300 | N | A | -2.0854 | |
| 301 | P | A | -2.0504 | |
| 302 | E | A | -1.7136 | |
| 303 | N | A | -0.8538 | |
| 304 | Y | A | 0.0000 | |
| 305 | F | A | 0.0000 | |
| 306 | A | A | 0.0000 | |
| 307 | E | A | -0.8555 | |
| 308 | V | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | Q | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | P | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | T | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | P | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | D | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | K | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Q | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | R | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | A | A | 0.3568 | |
| 337 | Y | A | 0.5295 | |
| 338 | H | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | H | A | 0.0000 | |
| 342 | R | A | 0.0000 | |
| 343 | Y | A | 0.5805 | |
| 344 | R | A | 0.2935 | |
| 345 | V | A | 0.2367 | |
| 346 | G | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | H | A | 0.0000 | |
| 350 | Q | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | L | A | 0.1894 | |
| 353 | P | A | -0.3986 | |
| 354 | I | A | -0.6422 | |
| 355 | N | A | 0.0000 | |
| 356 | R | A | -2.6887 | |
| 357 | A | A | -2.8293 | |
| 358 | R | A | -4.0450 | |
| 359 | N | A | -2.9787 | |
| 360 | K | A | -1.1854 | |
| 361 | V | A | 0.2638 | |
| 362 | N | A | 0.2062 | |
| 363 | N | A | 0.0450 | |
| 364 | Y | A | 0.0000 | |
| 365 | Q | A | 0.0000 | |
| 366 | R | A | 0.0000 | |
| 367 | D | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | Q | A | -0.2316 | |
| 370 | M | A | -0.1655 | |
| 371 | R | A | -0.3911 | |
| 372 | F | A | 0.0000 | |
| 373 | D | A | -0.2373 | |
| 374 | D | A | 0.0000 | |
| 375 | N | A | -0.4545 | |
| 376 | G | A | -0.5671 | |
| 377 | G | A | -0.5267 | |
| 378 | G | A | -0.4783 | |
| 379 | S | A | -0.6362 | |
| 380 | V | A | -0.6440 | |
| 381 | Y | A | 0.0000 | |
| 382 | Y | A | 0.7519 | |
| 383 | E | A | 0.0000 | |
| 384 | P | A | 0.4015 | |
| 385 | N | A | 0.2364 | |
| 386 | S | A | 0.1527 | |
| 387 | F | A | 0.7570 | |
| 388 | G | A | 0.0000 | |
| 389 | G | A | -0.5593 | |
| 390 | P | A | 0.0000 | |
| 391 | K | A | 0.0000 | |
| 392 | E | A | -2.7121 | |
| 393 | S | A | 0.0000 | |
| 394 | P | A | -1.3290 | |
| 395 | E | A | -1.3086 | |
| 396 | D | A | -1.3990 | |
| 397 | K | A | 0.0000 | |
| 398 | Q | A | -0.3319 | |
| 399 | A | A | 0.2689 | |
| 400 | A | A | 0.0000 | |
| 401 | Y | A | 1.4243 | |
| 402 | P | A | 0.0000 | |
| 403 | V | A | 1.8224 | |
| 404 | Q | A | 0.4667 | |
| 405 | G | A | 0.1644 | |
| 406 | I | A | 1.0527 | |
| 407 | A | A | 0.0000 | |
| 408 | D | A | -0.0709 | |
| 409 | S | A | 0.4250 | |
| 410 | V | A | 0.9508 | |
| 411 | S | A | 1.0373 | |
| 412 | Y | A | 1.0402 | |
| 413 | D | A | 0.1585 | |
| 414 | H | A | -0.9321 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -2.5614 | |
| 417 | H | A | -1.9847 | |
| 418 | Y | A | -1.3802 | |
| 419 | T | A | -1.3091 | |
| 420 | Q | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | D | A | -1.0982 | |
| 424 | L | A | 0.0000 | |
| 425 | Y | A | 0.0000 | |
| 426 | R | A | -2.1009 | |
| 427 | L | A | -0.0262 | |
| 428 | M | A | 0.0000 | |
| 429 | S | A | -2.0219 | |
| 430 | E | A | -3.3179 | |
| 431 | D | A | -3.2485 | |
| 432 | E | A | -2.5647 | |
| 433 | R | A | -2.8148 | |
| 434 | T | A | -2.3323 | |
| 435 | R | A | -2.2122 | |
| 436 | L | A | 0.0000 | |
| 437 | V | A | -1.4811 | |
| 438 | E | A | -1.6845 | |
| 439 | N | A | -1.0665 | |
| 440 | I | A | 0.0000 | |
| 441 | V | A | -1.1499 | |
| 442 | N | A | -1.2097 | |
| 443 | A | A | -1.1162 | |
| 444 | M | A | 0.0000 | |
| 445 | K | A | -2.5753 | |
| 446 | P | A | -1.9555 | |
| 447 | V | A | 0.0000 | |
| 448 | E | A | -3.7656 | |
| 449 | K | A | -4.1563 | |
| 450 | E | A | -3.7613 | |
| 451 | E | A | -3.0325 | |
| 452 | I | A | 0.0000 | |
| 453 | K | A | -2.3685 | |
| 454 | L | A | -0.8264 | |
| 455 | R | A | -1.5669 | |
| 456 | Q | A | 0.0000 | |
| 457 | I | A | -0.4956 | |
| 458 | E | A | -1.1284 | |
| 459 | H | A | -1.0528 | |
| 460 | F | A | 0.0000 | |
| 461 | Y | A | -0.9228 | |
| 462 | K | A | -2.1369 | |
| 463 | A | A | 0.0000 | |
| 464 | D | A | -1.8734 | |
| 465 | P | A | -2.0217 | |
| 466 | E | A | -3.1758 | |
| 467 | Y | A | 0.0000 | |
| 468 | G | A | 0.0000 | |
| 469 | K | A | -3.2432 | |
| 470 | R | A | -3.0027 | |
| 471 | V | A | 0.0000 | |
| 472 | A | A | -1.4462 | |
| 473 | E | A | -2.5069 | |
| 474 | G | A | -1.7847 | |
| 475 | L | A | -1.0067 | |
| 4 | N | B | -2.2994 | |
| 5 | K | B | -2.6206 | |
| 6 | L | B | -1.0695 | |
| 7 | T | B | 0.0000 | |
| 8 | T | B | 0.0000 | |
| 9 | S | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | G | B | -1.1452 | |
| 12 | A | B | 0.0000 | |
| 13 | P | B | -0.8608 | |
| 14 | V | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | D | B | 0.0000 | |
| 17 | N | B | 0.0000 | |
| 18 | Q | B | 0.0000 | |
| 19 | N | B | -0.3058 | |
| 20 | S | B | 0.0885 | |
| 21 | M | B | 0.0000 | |
| 22 | T | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | G | B | 0.0000 | |
| 25 | S | B | -0.2720 | |
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| 27 | G | B | 0.0000 | |
| 28 | P | B | 0.0000 | |
| 29 | T | B | 0.0000 | |
| 30 | L | B | 0.0000 | |
| 31 | I | B | 0.0000 | |
| 32 | Q | B | 0.0000 | |
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| 35 | H | B | 0.0000 | |
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| 40 | L | B | 0.0000 | |
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| 42 | H | B | 0.0000 | |
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| 45 | R | B | 0.0000 | |
| 46 | E | B | 0.0000 | |
| 47 | R | B | 0.0000 | |
| 48 | V | B | 0.0691 | |
| 49 | P | B | 0.0000 | |
| 50 | E | B | -0.1227 | |
| 51 | R | B | 0.0000 | |
| 52 | V | B | 0.1611 | |
| 53 | V | B | 0.0000 | |
| 54 | H | B | 0.0000 | |
| 55 | A | B | 0.0000 | |
| 56 | K | B | 0.0000 | |
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| 58 | A | B | 0.0000 | |
| 59 | G | B | 0.0000 | |
| 60 | A | B | 0.0000 | |
| 61 | H | B | -1.2228 | |
| 62 | G | B | -0.8628 | |
| 63 | Y | B | -0.6185 | |
| 64 | F | B | 0.0000 | |
| 65 | E | B | -1.6161 | |
| 66 | V | B | 0.0000 | |
| 67 | T | B | -1.6039 | |
| 68 | N | B | -1.3670 | |
| 69 | D | B | -1.4711 | |
| 70 | V | B | 0.4710 | |
| 71 | T | B | 0.3179 | |
| 72 | K | B | 0.1561 | |
| 73 | Y | B | -0.1701 | |
| 74 | T | B | -1.1629 | |
| 75 | K | B | -1.8376 | |
| 76 | A | B | -0.9474 | |
| 77 | A | B | -0.2147 | |
| 78 | F | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | E | B | -0.0443 | |
| 82 | V | B | 0.4381 | |
| 83 | G | B | -0.9243 | |
| 84 | K | B | -1.7797 | |
| 85 | R | B | -2.4867 | |
| 86 | T | B | 0.0000 | |
| 87 | P | B | -0.7055 | |
| 88 | L | B | 0.0000 | |
| 89 | F | B | 0.0000 | |
| 90 | I | B | 0.0000 | |
| 91 | R | B | 0.0000 | |
| 92 | F | B | 0.0000 | |
| 93 | S | B | 0.0000 | |
| 94 | T | B | 0.0000 | |
| 95 | V | B | 0.0000 | |
| 96 | A | B | -0.3056 | |
| 97 | G | B | -0.3012 | |
| 98 | E | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | S | B | 0.0000 | |
| 102 | A | B | 0.0000 | |
| 103 | D | B | 0.0000 | |
| 104 | T | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | R | B | -0.6315 | |
| 107 | D | B | 0.0000 | |
| 108 | P | B | 0.0446 | |
| 109 | R | B | 0.0000 | |
| 110 | G | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | A | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | K | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | Y | B | -1.1879 | |
| 117 | T | B | -2.0676 | |
| 118 | E | B | -3.1722 | |
| 119 | E | B | -3.1645 | |
| 120 | G | B | -1.8713 | |
| 121 | N | B | 0.0000 | |
| 122 | Y | B | -0.2597 | |
| 123 | D | B | 0.0092 | |
| 124 | I | B | 0.1675 | |
| 125 | V | B | 0.0000 | |
| 126 | G | B | 0.0000 | |
| 127 | N | B | 0.0000 | |
| 128 | N | B | 0.0000 | |
| 129 | T | B | 0.0000 | |
| 130 | P | B | 0.0000 | |
| 131 | V | B | 0.2776 | |
| 132 | F | B | 0.0000 | |
| 133 | F | B | 0.0000 | |
| 134 | I | B | 0.0000 | |
| 135 | R | B | 0.0000 | |
| 136 | D | B | 0.0000 | |
| 137 | A | B | 0.0985 | |
| 138 | I | B | 0.0000 | |
| 139 | K | B | 0.0000 | |
| 140 | F | B | 0.2257 | |
| 141 | P | B | 0.0000 | |
| 142 | D | B | 0.0000 | |
| 143 | F | B | 0.0000 | |
| 144 | I | B | 0.0000 | |
| 145 | H | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | Q | B | -0.3941 | |
| 148 | K | B | 0.0000 | |
| 149 | R | B | 0.0000 | |
| 150 | D | B | -0.5876 | |
| 151 | P | B | 0.0000 | |
| 152 | K | B | -2.0995 | |
| 153 | T | B | -1.4815 | |
| 154 | H | B | 0.0000 | |
| 155 | L | B | -0.4780 | |
| 156 | K | B | -0.8159 | |
| 157 | N | B | -0.6067 | |
| 158 | P | B | -0.6020 | |
| 159 | T | B | -0.5989 | |
| 160 | A | B | -0.1768 | |
| 161 | V | B | 0.0000 | |
| 162 | W | B | 0.0000 | |
| 163 | D | B | -0.9506 | |
| 164 | F | B | 0.0000 | |
| 165 | W | B | -0.0348 | |
| 166 | S | B | 0.0000 | |
| 167 | L | B | 0.0228 | |
| 168 | S | B | -0.1430 | |
| 169 | P | B | -0.4243 | |
| 170 | E | B | 0.0000 | |
| 171 | S | B | 0.0000 | |
| 172 | L | B | 0.0000 | |
| 173 | H | B | 0.0000 | |
| 174 | Q | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | T | B | 0.0000 | |
| 177 | I | B | 0.4361 | |
| 178 | L | B | 0.2893 | |
| 179 | M | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | D | B | -0.5359 | |
| 182 | R | B | -0.5245 | |
| 183 | G | B | 0.0000 | |
| 184 | I | B | -0.1376 | |
| 185 | P | B | 0.0000 | |
| 186 | A | B | -0.2624 | |
| 187 | T | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | R | B | -1.5796 | |
| 190 | H | B | 0.0000 | |
| 191 | M | B | 0.0000 | |
| 192 | H | B | -1.2411 | |
| 193 | G | B | 0.0000 | |
| 194 | F | B | 0.1383 | |
| 195 | G | B | 0.0000 | |
| 196 | S | B | 0.0000 | |
| 197 | H | B | 0.0000 | |
| 198 | T | B | 0.0000 | |
| 199 | F | B | 0.2446 | |
| 200 | K | B | 0.0000 | |
| 201 | W | B | 0.0000 | |
| 202 | T | B | -1.4109 | |
| 203 | N | B | -2.0168 | |
| 204 | A | B | -1.6074 | |
| 205 | E | B | -2.3973 | |
| 206 | G | B | -1.9342 | |
| 207 | E | B | -1.7758 | |
| 208 | G | B | 0.0000 | |
| 209 | V | B | 0.0000 | |
| 210 | W | B | 0.0000 | |
| 211 | I | B | 0.0000 | |
| 212 | K | B | 0.0000 | |
| 213 | Y | B | 0.0000 | |
| 214 | H | B | -0.6541 | |
| 215 | F | B | 0.0000 | |
| 216 | K | B | -2.3015 | |
| 217 | T | B | -2.2618 | |
| 218 | E | B | -2.8413 | |
| 219 | Q | B | -2.0467 | |
| 220 | G | B | -1.0154 | |
| 221 | V | B | 0.2771 | |
| 222 | K | B | -1.0662 | |
| 223 | N | B | -0.5519 | |
| 224 | L | B | 0.0000 | |
| 225 | D | B | -1.2426 | |
| 226 | V | B | -0.5624 | |
| 227 | N | B | -1.3608 | |
| 228 | T | B | -1.2874 | |
| 229 | A | B | 0.0000 | |
| 230 | A | B | -2.0779 | |
| 231 | K | B | -3.0540 | |
| 232 | I | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | G | B | -2.5572 | |
| 235 | E | B | -2.4669 | |
| 236 | N | B | -1.2762 | |
| 237 | P | B | 0.0000 | |
| 238 | D | B | 0.0000 | |
| 239 | Y | B | 0.6677 | |
| 240 | H | B | 0.0000 | |
| 241 | T | B | 0.1530 | |
| 242 | E | B | -0.0620 | |
| 243 | D | B | -0.1857 | |
| 244 | L | B | 0.0000 | |
| 245 | F | B | 0.1982 | |
| 246 | N | B | -0.9901 | |
| 247 | A | B | 0.0000 | |
| 248 | I | B | -1.6134 | |
| 249 | E | B | -2.6416 | |
| 250 | N | B | -2.3921 | |
| 251 | G | B | -1.9104 | |
| 252 | D | B | -1.8241 | |
| 253 | Y | B | -0.4001 | |
| 254 | P | B | 0.0000 | |
| 255 | A | B | 0.0000 | |
| 256 | W | B | 0.0000 | |
| 257 | K | B | -2.7493 | |
| 258 | L | B | 0.0000 | |
| 259 | Y | B | -0.8075 | |
| 260 | V | B | 0.0000 | |
| 261 | Q | B | 0.1436 | |
| 262 | I | B | 0.0000 | |
| 263 | M | B | 0.0000 | |
| 264 | P | B | -0.9343 | |
| 265 | L | B | -1.1254 | |
| 266 | E | B | -2.2226 | |
| 267 | D | B | -1.9426 | |
| 268 | A | B | 0.0000 | |
| 269 | N | B | -1.5945 | |
| 270 | T | B | -1.1006 | |
| 271 | Y | B | -0.7127 | |
| 272 | R | B | -0.0096 | |
| 273 | F | B | 1.2557 | |
| 274 | D | B | 0.0240 | |
| 275 | P | B | 0.0000 | |
| 276 | F | B | 0.0000 | |
| 277 | D | B | 0.0000 | |
| 278 | V | B | 0.0000 | |
| 279 | T | B | 0.0000 | |
| 280 | K | B | 0.0000 | |
| 281 | V | B | 0.6208 | |
| 282 | W | B | 0.0000 | |
| 283 | S | B | -0.6253 | |
| 284 | Q | B | 0.0000 | |
| 285 | K | B | -2.1938 | |
| 286 | D | B | -2.0970 | |
| 287 | Y | B | -0.5394 | |
| 288 | P | B | 0.3973 | |
| 289 | L | B | 1.0567 | |
| 290 | I | B | 0.0000 | |
| 291 | E | B | -2.1374 | |
| 292 | V | B | 0.0000 | |
| 293 | G | B | -2.0440 | |
| 294 | R | B | -2.6244 | |
| 295 | M | B | 0.0000 | |
| 296 | V | B | -0.5322 | |
| 297 | L | B | 0.0000 | |
| 298 | D | B | -1.9374 | |
| 299 | R | B | -2.4277 | |
| 300 | N | B | -1.7136 | |
| 301 | P | B | -1.5132 | |
| 302 | E | B | -2.1389 | |
| 303 | N | B | -1.1164 | |
| 304 | Y | B | -0.2716 | |
| 305 | F | B | 0.0000 | |
| 306 | A | B | 0.0000 | |
| 307 | E | B | 0.0000 | |
| 308 | V | B | 0.0000 | |
| 309 | E | B | -0.1269 | |
| 310 | Q | B | 0.0000 | |
| 311 | A | B | 0.0000 | |
| 312 | T | B | 0.0000 | |
| 313 | F | B | 0.0000 | |
| 314 | S | B | 0.0000 | |
| 315 | P | B | 0.0000 | |
| 316 | G | B | 0.0254 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.0849 | |
| 319 | V | B | 0.0000 | |
| 320 | P | B | -0.7832 | |
| 321 | G | B | -1.1450 | |
| 322 | I | B | 0.0000 | |
| 323 | D | B | 0.0000 | |
| 324 | V | B | 0.0000 | |
| 325 | S | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | D | B | 0.0000 | |
| 328 | K | B | 0.0000 | |
| 329 | M | B | 0.0000 | |
| 330 | L | B | 0.0000 | |
| 331 | Q | B | 0.0000 | |
| 332 | G | B | 0.0000 | |
| 333 | R | B | 0.0000 | |
| 334 | L | B | 0.0000 | |
| 335 | F | B | 0.0000 | |
| 336 | A | B | 0.0000 | |
| 337 | Y | B | 0.1621 | |
| 338 | H | B | 0.0000 | |
| 339 | D | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | H | B | 0.0000 | |
| 342 | R | B | 0.0000 | |
| 343 | Y | B | 0.1469 | |
| 344 | R | B | -0.1428 | |
| 345 | V | B | 0.0000 | |
| 346 | G | B | 0.0938 | |
| 347 | A | B | 0.0000 | |
| 348 | N | B | 0.0000 | |
| 349 | H | B | 0.0000 | |
| 350 | Q | B | 0.0000 | |
| 351 | A | B | 0.0000 | |
| 352 | L | B | 0.0000 | |
| 353 | P | B | 0.0507 | |
| 354 | I | B | -0.0441 | |
| 355 | N | B | 0.0000 | |
| 356 | R | B | 0.0000 | |
| 357 | A | B | -1.0404 | |
| 358 | R | B | -2.7407 | |
| 359 | N | B | 0.0000 | |
| 360 | K | B | -2.5213 | |
| 361 | V | B | -1.2553 | |
| 362 | N | B | 0.0000 | |
| 363 | N | B | -0.7005 | |
| 364 | Y | B | 0.0000 | |
| 365 | Q | B | 0.0000 | |
| 366 | R | B | 0.0000 | |
| 367 | D | B | 0.0000 | |
| 368 | G | B | 0.0000 | |
| 369 | Q | B | 0.0000 | |
| 370 | M | B | 0.0000 | |
| 371 | R | B | -1.0873 | |
| 372 | F | B | 0.2467 | |
| 373 | D | B | -1.2732 | |
| 374 | D | B | -2.2771 | |
| 375 | N | B | 0.0000 | |
| 376 | G | B | -1.5142 | |
| 377 | G | B | -1.0228 | |
| 378 | G | B | -0.8342 | |
| 379 | S | B | -0.4667 | |
| 380 | V | B | 0.3563 | |
| 381 | Y | B | 0.8793 | |
| 382 | Y | B | 0.0000 | |
| 383 | E | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | N | B | 0.0000 | |
| 386 | S | B | 0.1419 | |
| 387 | F | B | 0.8401 | |
| 388 | G | B | -0.4748 | |
| 389 | G | B | -0.7843 | |
| 390 | P | B | -0.7085 | |
| 391 | K | B | 0.0000 | |
| 392 | E | B | -2.2130 | |
| 393 | S | B | 0.0000 | |
| 394 | P | B | -1.7046 | |
| 395 | E | B | -2.5940 | |
| 396 | D | B | 0.0000 | |
| 397 | K | B | -1.1114 | |
| 398 | Q | B | 0.0000 | |
| 399 | A | B | 0.0000 | |
| 400 | A | B | 0.0000 | |
| 401 | Y | B | 0.2033 | |
| 402 | P | B | 0.1878 | |
| 403 | V | B | 0.0000 | |
| 404 | Q | B | 0.0000 | |
| 405 | G | B | 0.6856 | |
| 406 | I | B | 1.3250 | |
| 407 | A | B | 0.0000 | |
| 408 | D | B | 0.2557 | |
| 409 | S | B | 0.3592 | |
| 410 | V | B | 0.4915 | |
| 411 | S | B | -0.2555 | |
| 412 | Y | B | -0.6362 | |
| 413 | D | B | -1.6316 | |
| 414 | H | B | 0.0000 | |
| 415 | Y | B | -0.2570 | |
| 416 | D | B | -0.6133 | |
| 417 | H | B | 0.0487 | |
| 418 | Y | B | -0.0349 | |
| 419 | T | B | -0.5573 | |
| 420 | Q | B | 0.0000 | |
| 421 | A | B | 0.0000 | |
| 422 | G | B | 0.0000 | |
| 423 | D | B | -1.7758 | |
| 424 | L | B | -0.6169 | |
| 425 | Y | B | 0.0000 | |
| 426 | R | B | -2.3215 | |
| 427 | L | B | -0.0774 | |
| 428 | M | B | -1.1187 | |
| 429 | S | B | -1.8969 | |
| 430 | E | B | -3.2204 | |
| 431 | D | B | -3.2085 | |
| 432 | E | B | -2.6896 | |
| 433 | R | B | -2.7737 | |
| 434 | T | B | -2.3413 | |
| 435 | R | B | -2.3399 | |
| 436 | L | B | 0.0000 | |
| 437 | V | B | 0.0000 | |
| 438 | E | B | -2.4422 | |
| 439 | N | B | -1.4779 | |
| 440 | I | B | 0.0000 | |
| 441 | V | B | 0.0000 | |
| 442 | N | B | -1.6479 | |
| 443 | A | B | -1.1686 | |
| 444 | M | B | 0.0000 | |
| 445 | K | B | -1.4387 | |
| 446 | P | B | -0.8729 | |
| 447 | V | B | -0.9261 | |
| 448 | E | B | -1.8553 | |
| 449 | K | B | -3.3756 | |
| 450 | E | B | -3.3611 | |
| 451 | E | B | -3.3785 | |
| 452 | I | B | 0.0000 | |
| 453 | K | B | -1.6950 | |
| 454 | L | B | -1.0141 | |
| 455 | R | B | -1.5282 | |
| 456 | Q | B | 0.0000 | |
| 457 | I | B | -0.5110 | |
| 458 | E | B | -0.8569 | |
| 459 | H | B | 0.0000 | |
| 460 | F | B | 0.0000 | |
| 461 | Y | B | -0.6262 | |
| 462 | K | B | -1.3185 | |
| 463 | A | B | 0.0000 | |
| 464 | D | B | -2.0096 | |
| 465 | P | B | -1.8336 | |
| 466 | E | B | -2.7801 | |
| 467 | Y | B | 0.0000 | |
| 468 | G | B | -1.5980 | |
| 469 | K | B | -2.9297 | |
| 470 | R | B | -2.8586 | |
| 471 | V | B | 0.0000 | |
| 472 | A | B | -1.2162 | |
| 473 | E | B | -2.2654 | |
| 474 | G | B | -1.5566 | |
| 475 | L | B | -0.1599 | |
| 4 | N | C | -1.6275 | |
| 5 | K | C | -1.5871 | |
| 6 | L | C | 0.0000 | |
| 7 | T | C | 0.0000 | |
| 8 | T | C | 0.0000 | |
| 9 | S | C | 0.0000 | |
| 10 | W | C | 0.0000 | |
| 11 | G | C | 0.0000 | |
| 12 | A | C | 0.0000 | |
| 13 | P | C | -0.9652 | |
| 14 | V | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | D | C | 0.0000 | |
| 17 | N | C | 0.0000 | |
| 18 | Q | C | -1.0336 | |
| 19 | N | C | 0.0000 | |
| 20 | S | C | 0.0000 | |
| 21 | M | C | 0.0000 | |
| 22 | T | C | 0.0000 | |
| 23 | A | C | 0.3418 | |
| 24 | G | C | -0.1293 | |
| 25 | S | C | -0.3689 | |
| 26 | R | C | -0.3160 | |
| 27 | G | C | 0.0000 | |
| 28 | P | C | 0.0000 | |
| 29 | T | C | 0.0000 | |
| 30 | L | C | 0.0000 | |
| 31 | I | C | 0.0000 | |
| 32 | Q | C | 0.0000 | |
| 33 | D | C | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | L | C | 0.0000 | |
| 37 | L | C | 0.0000 | |
| 38 | E | C | 0.0000 | |
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| 116 | Y | D | 0.0000 | |
| 117 | T | D | -2.1738 | |
| 118 | E | D | -3.1024 | |
| 119 | E | D | -2.8615 | |
| 120 | G | D | -1.5536 | |
| 121 | N | D | 0.0000 | |
| 122 | Y | D | 0.0000 | |
| 123 | D | D | 0.0000 | |
| 124 | I | D | 0.0000 | |
| 125 | V | D | 0.2755 | |
| 126 | G | D | 0.0736 | |
| 127 | N | D | -0.0866 | |
| 128 | N | D | 0.0000 | |
| 129 | T | D | 0.0000 | |
| 130 | P | D | 0.0000 | |
| 131 | V | D | 0.0695 | |
| 132 | F | D | 0.2675 | |
| 133 | F | D | 0.0000 | |
| 134 | I | D | 0.0000 | |
| 135 | R | D | 0.0000 | |
| 136 | D | D | 0.0000 | |
| 137 | A | D | 0.0000 | |
| 138 | I | D | 0.0000 | |
| 139 | K | D | -0.2647 | |
| 140 | F | D | 0.0000 | |
| 141 | P | D | 0.0000 | |
| 142 | D | D | 0.0000 | |
| 143 | F | D | 0.0000 | |
| 144 | I | D | 0.0000 | |
| 145 | H | D | 0.0000 | |
| 146 | T | D | 0.0000 | |
| 147 | Q | D | -0.6583 | |
| 148 | K | D | 0.0000 | |
| 149 | R | D | -0.9993 | |
| 150 | D | D | 0.0000 | |
| 151 | P | D | 0.0000 | |
| 152 | K | D | -1.1063 | |
| 153 | T | D | -1.3362 | |
| 154 | H | D | -1.6850 | |
| 155 | L | D | -0.3490 | |
| 156 | K | D | -1.1810 | |
| 157 | N | D | 0.0000 | |
| 158 | P | D | -0.5129 | |
| 159 | T | D | -0.4875 | |
| 160 | A | D | 0.0000 | |
| 161 | V | D | 0.0000 | |
| 162 | W | D | -0.2566 | |
| 163 | D | D | 0.0000 | |
| 164 | F | D | 0.0000 | |
| 165 | W | D | 0.0000 | |
| 166 | S | D | 0.0000 | |
| 167 | L | D | 0.4067 | |
| 168 | S | D | -0.2909 | |
| 169 | P | D | -0.4486 | |
| 170 | E | D | 0.0000 | |
| 171 | S | D | 0.0000 | |
| 172 | L | D | 0.0000 | |
| 173 | H | D | 0.0000 | |
| 174 | Q | D | 0.0000 | |
| 175 | V | D | 0.0000 | |
| 176 | T | D | 0.0000 | |
| 177 | I | D | 0.3576 | |
| 178 | L | D | 0.1334 | |
| 179 | M | D | 0.0000 | |
| 180 | S | D | 0.0000 | |
| 181 | D | D | -0.5895 | |
| 182 | R | D | -0.8041 | |
| 183 | G | D | 0.0000 | |
| 184 | I | D | 0.0000 | |
| 185 | P | D | 0.0000 | |
| 186 | A | D | 0.0000 | |
| 187 | T | D | 0.0000 | |
| 188 | L | D | 0.0000 | |
| 189 | R | D | -1.0311 | |
| 190 | H | D | -1.2779 | |
| 191 | M | D | 0.0000 | |
| 192 | H | D | -0.8140 | |
| 193 | G | D | 0.0000 | |
| 194 | F | D | 0.2123 | |
| 195 | G | D | 0.0000 | |
| 196 | S | D | 0.0000 | |
| 197 | H | D | 0.0000 | |
| 198 | T | D | 0.0000 | |
| 199 | F | D | 0.0000 | |
| 200 | K | D | 0.0000 | |
| 201 | W | D | 0.0000 | |
| 202 | T | D | -0.7268 | |
| 203 | N | D | 0.0000 | |
| 204 | A | D | -1.3071 | |
| 205 | E | D | -1.6468 | |
| 206 | G | D | -1.7335 | |
| 207 | E | D | -1.4253 | |
| 208 | G | D | -0.7998 | |
| 209 | V | D | 0.0000 | |
| 210 | W | D | 0.0000 | |
| 211 | I | D | 0.0000 | |
| 212 | K | D | -0.1539 | |
| 213 | Y | D | 0.0000 | |
| 214 | H | D | -0.5461 | |
| 215 | F | D | 0.0000 | |
| 216 | K | D | -1.5646 | |
| 217 | T | D | -1.5891 | |
| 218 | E | D | -1.7610 | |
| 219 | Q | D | -1.5560 | |
| 220 | G | D | -1.3631 | |
| 221 | V | D | -0.9703 | |
| 222 | K | D | -1.9994 | |
| 223 | N | D | -1.3841 | |
| 224 | L | D | 0.0000 | |
| 225 | D | D | -0.9416 | |
| 226 | V | D | 0.2155 | |
| 227 | N | D | -1.3056 | |
| 228 | T | D | -0.9818 | |
| 229 | A | D | -0.8209 | |
| 230 | A | D | -1.6795 | |
| 231 | K | D | -2.4925 | |
| 232 | I | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | G | D | -1.7743 | |
| 235 | E | D | -1.2954 | |
| 236 | N | D | 0.0000 | |
| 237 | P | D | -0.6788 | |
| 238 | D | D | 0.0000 | |
| 239 | Y | D | 0.1472 | |
| 240 | H | D | 0.0000 | |
| 241 | T | D | 0.0479 | |
| 242 | E | D | -0.5049 | |
| 243 | D | D | 0.0000 | |
| 244 | L | D | 0.0000 | |
| 245 | F | D | -0.4514 | |
| 246 | N | D | -1.2524 | |
| 247 | A | D | 0.0000 | |
| 248 | I | D | 0.0000 | |
| 249 | E | D | -2.9532 | |
| 250 | N | D | -2.3956 | |
| 251 | G | D | -2.0401 | |
| 252 | D | D | -1.6307 | |
| 253 | Y | D | -0.4786 | |
| 254 | P | D | 0.0000 | |
| 255 | A | D | -1.0570 | |
| 256 | W | D | 0.0000 | |
| 257 | K | D | -2.1591 | |
| 258 | L | D | 0.0000 | |
| 259 | Y | D | -0.4145 | |
| 260 | V | D | 0.0000 | |
| 261 | Q | D | -0.3204 | |
| 262 | I | D | 0.5849 | |
| 263 | M | D | 0.0000 | |
| 264 | P | D | -0.7353 | |
| 265 | L | D | -0.9089 | |
| 266 | E | D | -2.2450 | |
| 267 | D | D | -1.9324 | |
| 268 | A | D | 0.0000 | |
| 269 | N | D | -1.4289 | |
| 270 | T | D | -0.8896 | |
| 271 | Y | D | -0.1467 | |
| 272 | R | D | 0.0398 | |
| 273 | F | D | 0.8309 | |
| 274 | D | D | -0.1238 | |
| 275 | P | D | 0.0000 | |
| 276 | F | D | 0.0000 | |
| 277 | D | D | -0.2901 | |
| 278 | V | D | 0.0000 | |
| 279 | T | D | 0.0000 | |
| 280 | K | D | 0.0000 | |
| 281 | V | D | 0.2299 | |
| 282 | W | D | 0.0000 | |
| 283 | S | D | -1.2517 | |
| 284 | Q | D | -1.9748 | |
| 285 | K | D | -2.9198 | |
| 286 | D | D | -2.4880 | |
| 287 | Y | D | -1.1028 | |
| 288 | P | D | 0.0966 | |
| 289 | L | D | 0.9824 | |
| 290 | I | D | 0.5627 | |
| 291 | E | D | -1.4387 | |
| 292 | V | D | 0.0000 | |
| 293 | G | D | -1.7987 | |
| 294 | R | D | -2.4174 | |
| 295 | M | D | 0.0000 | |
| 296 | V | D | 0.0000 | |
| 297 | L | D | 0.0000 | |
| 298 | D | D | -2.1077 | |
| 299 | R | D | -2.7376 | |
| 300 | N | D | -2.8122 | |
| 301 | P | D | -1.8994 | |
| 302 | E | D | -1.9905 | |
| 303 | N | D | 0.0000 | |
| 304 | Y | D | 0.0000 | |
| 305 | F | D | 0.0000 | |
| 306 | A | D | 0.0000 | |
| 307 | E | D | -1.0481 | |
| 308 | V | D | 0.0000 | |
| 309 | E | D | 0.0000 | |
| 310 | Q | D | 0.0000 | |
| 311 | A | D | -0.2066 | |
| 312 | T | D | 0.0000 | |
| 313 | F | D | 0.0000 | |
| 314 | S | D | 0.0000 | |
| 315 | P | D | 0.0000 | |
| 316 | G | D | -0.0349 | |
| 317 | T | D | 0.0000 | |
| 318 | L | D | 0.0000 | |
| 319 | V | D | -0.1720 | |
| 320 | P | D | -0.7807 | |
| 321 | G | D | 0.0000 | |
| 322 | I | D | 0.0000 | |
| 323 | D | D | 0.0000 | |
| 324 | V | D | 0.1892 | |
| 325 | S | D | 0.0000 | |
| 326 | P | D | 0.0000 | |
| 327 | D | D | 0.0000 | |
| 328 | K | D | 0.0000 | |
| 329 | M | D | 0.0000 | |
| 330 | L | D | 0.0000 | |
| 331 | Q | D | 0.0000 | |
| 332 | G | D | -0.1297 | |
| 333 | R | D | -0.2279 | |
| 334 | L | D | 0.0000 | |
| 335 | F | D | 0.0000 | |
| 336 | A | D | 0.0000 | |
| 337 | Y | D | 0.0000 | |
| 338 | H | D | 0.0000 | |
| 339 | D | D | 0.0000 | |
| 340 | A | D | 0.0000 | |
| 341 | H | D | 0.0000 | |
| 342 | R | D | 0.0000 | |
| 343 | Y | D | 0.2992 | |
| 344 | R | D | 0.0000 | |
| 345 | V | D | 0.3446 | |
| 346 | G | D | 0.1897 | |
| 347 | A | D | 0.0000 | |
| 348 | N | D | 0.0000 | |
| 349 | H | D | 0.0000 | |
| 350 | Q | D | 0.0000 | |
| 351 | A | D | -0.2188 | |
| 352 | L | D | 0.0791 | |
| 353 | P | D | -0.3420 | |
| 354 | I | D | 0.0000 | |
| 355 | N | D | 0.0000 | |
| 356 | R | D | -1.0341 | |
| 357 | A | D | 0.0000 | |
| 358 | R | D | -2.2957 | |
| 359 | N | D | 0.0000 | |
| 360 | K | D | -1.5043 | |
| 361 | V | D | 0.4179 | |
| 362 | N | D | 0.0000 | |
| 363 | N | D | 0.0131 | |
| 364 | Y | D | 0.0000 | |
| 365 | Q | D | 0.0000 | |
| 366 | R | D | 0.0000 | |
| 367 | D | D | 0.0000 | |
| 368 | G | D | 0.0000 | |
| 369 | Q | D | 0.2021 | |
| 370 | M | D | 0.4911 | |
| 371 | R | D | 0.0000 | |
| 372 | F | D | 0.3052 | |
| 373 | D | D | -0.9604 | |
| 374 | D | D | -1.0175 | |
| 375 | N | D | 0.0000 | |
| 376 | G | D | 0.0000 | |
| 377 | G | D | 0.0000 | |
| 378 | G | D | 0.0000 | |
| 379 | S | D | 0.0000 | |
| 380 | V | D | 0.0175 | |
| 381 | Y | D | 0.8578 | |
| 382 | Y | D | 0.0000 | |
| 383 | E | D | 0.0000 | |
| 384 | P | D | -0.0962 | |
| 385 | N | D | 0.0000 | |
| 386 | S | D | 0.2935 | |
| 387 | F | D | 0.5331 | |
| 388 | G | D | 0.0276 | |
| 389 | G | D | -0.6966 | |
| 390 | P | D | -1.2770 | |
| 391 | K | D | -2.4137 | |
| 392 | E | D | -2.9136 | |
| 393 | S | D | -1.9316 | |
| 394 | P | D | -1.5892 | |
| 395 | E | D | -1.6796 | |
| 396 | D | D | -2.0576 | |
| 397 | K | D | -1.2281 | |
| 398 | Q | D | 0.0000 | |
| 399 | A | D | -0.2181 | |
| 400 | A | D | -0.1236 | |
| 401 | Y | D | 0.0000 | |
| 402 | P | D | -0.2250 | |
| 403 | V | D | 0.0000 | |
| 404 | Q | D | -0.8538 | |
| 405 | G | D | 0.0011 | |
| 406 | I | D | 1.3338 | |
| 407 | A | D | 0.0000 | |
| 408 | D | D | 0.0724 | |
| 409 | S | D | -0.0357 | |
| 410 | V | D | 0.1343 | |
| 411 | S | D | 0.1645 | |
| 412 | Y | D | 0.3552 | |
| 413 | D | D | -0.4499 | |
| 414 | H | D | -1.3172 | |
| 415 | Y | D | 0.0000 | |
| 416 | D | D | -2.5761 | |
| 417 | H | D | -1.7945 | |
| 418 | Y | D | -1.3963 | |
| 419 | T | D | -1.1973 | |
| 420 | Q | D | -1.2999 | |
| 421 | A | D | 0.0000 | |
| 422 | G | D | 0.0000 | |
| 423 | D | D | -1.9797 | |
| 424 | L | D | -0.7710 | |
| 425 | Y | D | 0.0000 | |
| 426 | R | D | -2.3254 | |
| 427 | L | D | -0.1392 | |
| 428 | M | D | -1.1611 | |
| 429 | S | D | -1.8638 | |
| 430 | E | D | -3.2765 | |
| 431 | D | D | -3.2913 | |
| 432 | E | D | -2.8142 | |
| 433 | R | D | -2.8899 | |
| 434 | T | D | -2.5121 | |
| 435 | R | D | -2.2495 | |
| 436 | L | D | 0.0000 | |
| 437 | V | D | 0.0000 | |
| 438 | E | D | -2.5733 | |
| 439 | N | D | -1.4414 | |
| 440 | I | D | 0.0000 | |
| 441 | V | D | -1.2933 | |
| 442 | N | D | -1.9101 | |
| 443 | A | D | -1.1760 | |
| 444 | M | D | 0.0000 | |
| 445 | K | D | -1.2744 | |
| 446 | P | D | -0.6667 | |
| 447 | V | D | -0.1579 | |
| 448 | E | D | 0.0000 | |
| 449 | K | D | -2.9645 | |
| 450 | E | D | -3.2433 | |
| 451 | E | D | -2.9936 | |
| 452 | I | D | 0.0000 | |
| 453 | K | D | 0.0000 | |
| 454 | L | D | -0.5190 | |
| 455 | R | D | -1.3344 | |
| 456 | Q | D | 0.0000 | |
| 457 | I | D | 0.1147 | |
| 458 | E | D | -0.6947 | |
| 459 | H | D | -0.4032 | |
| 460 | F | D | 0.0000 | |
| 461 | Y | D | -0.5853 | |
| 462 | K | D | -1.2877 | |
| 463 | A | D | -0.9281 | |
| 464 | D | D | -1.6569 | |
| 465 | P | D | -1.5123 | |
| 466 | E | D | -2.6721 | |
| 467 | Y | D | 0.0000 | |
| 468 | G | D | 0.0000 | |
| 469 | K | D | -2.8028 | |
| 470 | R | D | -2.7016 | |
| 471 | V | D | 0.0000 | |
| 472 | A | D | -1.1337 | |
| 473 | E | D | -2.4177 | |
| 474 | G | D | -1.4269 | |
| 475 | L | D | -0.0180 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.4947 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
| model_10 | -0.4947 | View | CSV | PDB |
| model_5 | -0.5048 | View | CSV | PDB |
| model_1 | -0.5155 | View | CSV | PDB |
| model_6 | -0.5169 | View | CSV | PDB |
| model_3 | -0.5187 | View | CSV | PDB |
| model_2 | -0.534 | View | CSV | PDB |
| model_7 | -0.5391 | View | CSV | PDB |
| model_0 | -0.546 | View | CSV | PDB |
| model_9 | -0.5504 | View | CSV | PDB |
| model_8 | -0.5548 | View | CSV | PDB |
| model_4 | -0.5588 | View | CSV | PDB |
| model_11 | -0.5695 | View | CSV | PDB |
| input | -0.6087 | View | CSV | PDB |
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