Project name: C26_E11_EF_E30_EF_GSG
Status: done
Started: 2026-07-21 11:06:54
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGRVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:16:08)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:09:41)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:09:50)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:10:00)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:10:09)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:10:20)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:10:29)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:10:39)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:10:49)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:10:58)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:11:08)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:11:17)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:11:27)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:11:37)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:11:58)
[INFO] Main: Simulation completed successfully. (04:12:08)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -4.0136
- Maximal score value
- 1.6419
- Average score
- -0.4275
- Total score value
- -451.8198
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | S | A | -0.4572 | |
| 2 | L | A | -0.0819 | |
| 3 | D | A | -1.4472 | |
| 4 | I | A | -0.5431 | |
| 5 | Q | A | -0.9267 | |
| 6 | S | A | -1.0721 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.1218 | |
| 9 | I | A | -1.5946 | |
| 10 | Q | A | -2.7249 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.4876 | |
| 13 | E | A | -3.5093 | |
| 14 | L | A | -2.7058 | |
| 15 | S | A | -2.3874 | |
| 16 | D | A | -2.9091 | |
| 17 | A | A | -1.9590 | |
| 18 | R | A | -2.8294 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.9594 | |
| 21 | E | A | -2.0534 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.7404 | |
| 25 | L | A | 0.0186 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.8905 | |
| 28 | G | A | -0.7014 | |
| 29 | S | A | -0.5897 | |
| 30 | G | A | -0.4876 | |
| 31 | P | A | -0.2470 | |
| 32 | P | A | 0.0000 | |
| 33 | L | A | 1.0707 | |
| 34 | T | A | 0.5470 | |
| 35 | H | A | 0.4788 | |
| 36 | Q | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | M | A | 0.0000 | |
| 39 | Y | A | 0.3293 | |
| 40 | I | A | 0.0000 | |
| 41 | P | A | -0.4013 | |
| 42 | P | A | -0.3971 | |
| 43 | G | A | -0.2547 | |
| 44 | G | A | 0.0000 | |
| 45 | P | A | -0.0516 | |
| 46 | I | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | K | A | -1.1285 | |
| 49 | S | A | -0.3954 | |
| 50 | T | A | 0.2788 | |
| 51 | T | A | 0.1120 | |
| 52 | D | A | 0.0625 | |
| 53 | Y | A | 0.8453 | |
| 54 | A | A | 0.3706 | |
| 55 | W | A | 0.0820 | |
| 56 | Q | A | -0.5852 | |
| 57 | T | A | -0.4771 | |
| 58 | S | A | -0.5401 | |
| 59 | T | A | -0.1577 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 0.5965 | |
| 62 | S | A | 0.0000 | |
| 63 | I | A | 1.3261 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 1.0942 | |
| 66 | T | A | 0.3108 | |
| 67 | E | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | S | A | -0.8537 | |
| 70 | G | A | -0.9131 | |
| 71 | V | A | 0.0000 | |
| 72 | R | A | -1.1831 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -2.6395 | |
| 75 | D | A | -3.5028 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -2.4547 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -2.5163 | |
| 80 | E | A | -3.0793 | |
| 81 | A | A | -2.0649 | |
| 82 | R | A | -3.0552 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.7896 | |
| 85 | D | A | -2.5356 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | S | A | -1.3974 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -1.7811 | |
| 92 | V | A | -0.0183 | |
| 93 | G | A | -0.5017 | |
| 94 | S | A | -0.5323 | |
| 95 | G | A | -0.3521 | |
| 96 | P | A | 0.0000 | |
| 97 | P | A | -0.1989 | |
| 98 | L | A | 0.0878 | |
| 99 | T | A | 0.0000 | |
| 100 | H | A | 0.3764 | |
| 101 | Q | A | 0.0000 | |
| 102 | V | A | 1.1919 | |
| 103 | M | A | 1.0239 | |
| 104 | Y | A | 1.0997 | |
| 105 | I | A | 0.0000 | |
| 106 | P | A | 0.0000 | |
| 107 | P | A | -0.5996 | |
| 108 | G | A | -0.7685 | |
| 109 | G | A | -0.4041 | |
| 110 | P | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | P | A | -0.3347 | |
| 113 | K | A | -1.0993 | |
| 114 | S | A | -0.6059 | |
| 115 | T | A | -0.6762 | |
| 116 | T | A | 0.0000 | |
| 117 | D | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | W | A | -0.0905 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | -0.1223 | |
| 123 | S | A | -0.3268 | |
| 124 | T | A | -0.2190 | |
| 125 | N | A | -0.0205 | |
| 126 | P | A | 0.2102 | |
| 127 | S | A | 0.0000 | |
| 128 | I | A | 0.6587 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.3936 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -0.6388 | |
| 133 | G | A | -0.6633 | |
| 134 | S | A | -0.7253 | |
| 135 | G | A | 0.0000 | |
| 136 | E | A | -1.1031 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.5252 | |
| 141 | S | A | 0.0000 | |
| 142 | N | A | -2.8888 | |
| 143 | E | A | -3.0174 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -1.6052 | |
| 146 | D | A | -1.2993 | |
| 147 | V | A | -0.0883 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.7787 | |
| 151 | C | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.5565 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | Q | A | -1.9459 | |
| 158 | G | A | -1.4558 | |
| 159 | S | A | -1.2818 | |
| 160 | G | A | -0.6746 | |
| 161 | P | A | -0.3938 | |
| 162 | P | A | 0.0000 | |
| 163 | L | A | 0.1101 | |
| 164 | T | A | 0.1673 | |
| 165 | H | A | 0.0000 | |
| 166 | Q | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | P | A | -0.0968 | |
| 172 | P | A | -0.3475 | |
| 173 | G | A | -0.7564 | |
| 174 | G | A | -0.7977 | |
| 175 | P | A | -0.5850 | |
| 176 | I | A | -0.2283 | |
| 177 | P | A | -0.7687 | |
| 178 | K | A | -1.5928 | |
| 179 | S | A | -0.9686 | |
| 180 | T | A | -0.8164 | |
| 181 | T | A | -1.0459 | |
| 182 | D | A | -1.1829 | |
| 183 | Y | A | -0.0443 | |
| 184 | A | A | 0.0000 | |
| 185 | W | A | 0.9601 | |
| 186 | Q | A | -0.2673 | |
| 187 | T | A | -0.3133 | |
| 188 | S | A | -0.4295 | |
| 189 | T | A | -0.1913 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | 0.2717 | |
| 192 | S | A | 0.0000 | |
| 193 | I | A | 0.7064 | |
| 194 | F | A | 0.7362 | |
| 195 | W | A | 0.5058 | |
| 196 | T | A | 0.0922 | |
| 197 | E | A | -0.4934 | |
| 198 | G | A | -0.5414 | |
| 199 | S | A | -0.8679 | |
| 200 | G | A | -1.3264 | |
| 201 | K | A | -1.2699 | |
| 202 | L | A | -0.7140 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.4952 | |
| 206 | N | A | -1.6475 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.4383 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.0752 | |
| 211 | G | A | -0.2298 | |
| 212 | A | A | -0.2053 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.2029 | |
| 216 | V | A | -0.2340 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | S | A | -1.1342 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | R | A | -2.2985 | |
| 223 | T | A | -1.6130 | |
| 224 | G | A | -1.6805 | |
| 225 | S | A | -1.3536 | |
| 226 | G | A | -0.9382 | |
| 227 | P | A | -0.5568 | |
| 228 | P | A | -0.4205 | |
| 229 | L | A | -0.0405 | |
| 230 | T | A | 0.0880 | |
| 231 | H | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.4501 | |
| 236 | I | A | 0.0000 | |
| 237 | P | A | -0.3272 | |
| 238 | P | A | -0.3884 | |
| 239 | G | A | -0.0731 | |
| 240 | G | A | 0.4005 | |
| 241 | P | A | 0.7701 | |
| 242 | I | A | 1.3759 | |
| 243 | P | A | 0.0425 | |
| 244 | K | A | -1.4725 | |
| 245 | S | A | -0.6906 | |
| 246 | T | A | -0.0593 | |
| 247 | T | A | 0.0048 | |
| 248 | D | A | -0.1253 | |
| 249 | Y | A | 0.0000 | |
| 250 | A | A | 0.5574 | |
| 251 | W | A | 0.6231 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | -0.1426 | |
| 254 | S | A | -0.3220 | |
| 255 | T | A | -0.1619 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.4019 | |
| 258 | S | A | 0.0000 | |
| 259 | I | A | 1.0532 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.8139 | |
| 262 | T | A | 0.0000 | |
| 263 | E | A | -0.3597 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.9910 | |
| 266 | G | A | -1.0491 | |
| 267 | E | A | -1.4120 | |
| 268 | L | A | -0.5804 | |
| 269 | H | A | -0.6748 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.6977 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.1250 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | -0.4821 | |
| 277 | D | A | -1.1697 | |
| 278 | A | A | -0.6979 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -1.4401 | |
| 282 | L | A | -0.6158 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | -0.8041 | |
| 285 | E | A | -1.8619 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.4636 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | -0.5770 | |
| 290 | S | A | -0.7497 | |
| 291 | G | A | -1.0060 | |
| 292 | P | A | -0.9163 | |
| 293 | P | A | -0.7725 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | -0.1429 | |
| 296 | H | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.9251 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | -0.2152 | |
| 303 | P | A | -0.3037 | |
| 304 | G | A | -0.1558 | |
| 305 | G | A | -0.2229 | |
| 306 | P | A | 0.4112 | |
| 307 | I | A | 1.0034 | |
| 308 | P | A | 0.2153 | |
| 309 | K | A | 0.0000 | |
| 310 | S | A | -0.2596 | |
| 311 | T | A | -0.1814 | |
| 312 | T | A | 0.0000 | |
| 313 | D | A | -0.0805 | |
| 314 | Y | A | 0.8928 | |
| 315 | A | A | 0.0000 | |
| 316 | W | A | 0.6624 | |
| 317 | Q | A | 0.0000 | |
| 318 | T | A | -0.3031 | |
| 319 | S | A | -0.3242 | |
| 320 | T | A | -0.3108 | |
| 321 | N | A | -0.2068 | |
| 322 | P | A | 0.0937 | |
| 323 | S | A | 0.0000 | |
| 324 | I | A | 0.9870 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.4079 | |
| 327 | T | A | -0.1955 | |
| 328 | E | A | -0.8161 | |
| 329 | G | A | -0.8902 | |
| 330 | S | A | -1.0913 | |
| 331 | G | A | -1.2879 | |
| 332 | K | A | -1.4973 | |
| 333 | L | A | -0.8161 | |
| 334 | Q | A | -0.7160 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.4665 | |
| 337 | Y | A | 0.0126 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -1.0166 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.6635 | |
| 342 | A | A | -1.3445 | |
| 343 | A | A | -1.1015 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -2.0812 | |
| 347 | P | A | -1.5883 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -1.5310 | |
| 350 | S | A | -1.3855 | |
| 351 | V | A | -0.9047 | |
| 352 | L | A | -1.3476 | |
| 353 | R | A | -2.5513 | |
| 354 | A | A | -1.2894 | |
| 355 | G | A | -1.1712 | |
| 356 | S | A | -1.3302 | |
| 357 | G | A | -1.1010 | |
| 358 | P | A | -0.3895 | |
| 359 | P | A | -0.2613 | |
| 360 | L | A | 0.0000 | |
| 361 | T | A | -0.2632 | |
| 362 | H | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | V | A | 0.8430 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.1975 | |
| 367 | I | A | 0.0000 | |
| 368 | P | A | -0.4478 | |
| 369 | P | A | -0.3940 | |
| 370 | G | A | -0.4625 | |
| 371 | G | A | 0.0215 | |
| 372 | P | A | 0.0000 | |
| 373 | I | A | 0.3761 | |
| 374 | P | A | -0.4661 | |
| 375 | K | A | -1.6339 | |
| 376 | S | A | -0.9723 | |
| 377 | T | A | 0.0000 | |
| 378 | T | A | 0.2203 | |
| 379 | D | A | 0.0000 | |
| 380 | Y | A | -0.1184 | |
| 381 | A | A | -0.2365 | |
| 382 | W | A | 0.0000 | |
| 383 | Q | A | -0.8838 | |
| 384 | T | A | -0.5742 | |
| 385 | S | A | -0.4694 | |
| 386 | T | A | -0.3850 | |
| 387 | N | A | -0.3667 | |
| 388 | P | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 1.0054 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.5521 | |
| 393 | T | A | -0.0747 | |
| 394 | E | A | -0.6482 | |
| 395 | G | A | -0.9083 | |
| 396 | S | A | -1.1215 | |
| 397 | G | A | -1.2171 | |
| 398 | E | A | -1.7315 | |
| 399 | L | A | -0.7267 | |
| 400 | T | A | -0.4415 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | N | A | -2.4075 | |
| 405 | D | A | -2.9374 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -2.5811 | |
| 408 | E | A | -1.9903 | |
| 409 | A | A | -1.2760 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.1682 | |
| 413 | V | A | -1.4350 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.4697 | |
| 417 | G | A | -2.1900 | |
| 418 | L | A | -1.6196 | |
| 419 | K | A | -2.2613 | |
| 420 | D | A | -2.7907 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -1.6280 | |
| 423 | G | A | -0.6866 | |
| 424 | P | A | -0.4912 | |
| 425 | P | A | 0.0000 | |
| 426 | L | A | 0.4455 | |
| 427 | T | A | 0.6717 | |
| 428 | H | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | V | A | 0.7399 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | P | A | -0.3104 | |
| 435 | P | A | -0.3252 | |
| 436 | G | A | -0.8497 | |
| 437 | G | A | -0.7373 | |
| 438 | P | A | 0.0000 | |
| 439 | I | A | -0.5911 | |
| 440 | P | A | -1.1675 | |
| 441 | K | A | -1.9441 | |
| 442 | S | A | -1.3151 | |
| 443 | T | A | -0.7673 | |
| 444 | T | A | -0.8089 | |
| 445 | D | A | -0.7936 | |
| 446 | Y | A | 0.8540 | |
| 447 | A | A | 0.0000 | |
| 448 | W | A | 1.4302 | |
| 449 | Q | A | 0.0000 | |
| 450 | T | A | 0.2049 | |
| 451 | S | A | -0.0902 | |
| 452 | T | A | -0.1201 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | 0.2946 | |
| 455 | S | A | 0.0000 | |
| 456 | I | A | 0.9293 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.7829 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | -0.5285 | |
| 461 | G | A | -0.7477 | |
| 462 | S | A | -1.1533 | |
| 463 | G | A | -1.1036 | |
| 464 | A | A | -1.0920 | |
| 465 | L | A | -0.5902 | |
| 466 | K | A | -0.4155 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -1.2068 | |
| 469 | S | A | 0.0000 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -2.0120 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -0.9098 | |
| 474 | S | A | -0.8869 | |
| 475 | D | A | -1.4137 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.0531 | |
| 479 | D | A | -1.6826 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.7713 | |
| 482 | G | A | -1.0779 | |
| 483 | I | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | A | A | -0.2627 | |
| 486 | S | A | -0.7491 | |
| 487 | G | A | -1.2084 | |
| 488 | S | A | -1.2136 | |
| 489 | G | A | -1.0200 | |
| 490 | P | A | -0.5428 | |
| 491 | P | A | -0.0194 | |
| 492 | L | A | 0.3945 | |
| 493 | T | A | -0.1093 | |
| 494 | H | A | 0.0000 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | 0.5668 | |
| 499 | I | A | 0.5977 | |
| 500 | P | A | 0.5313 | |
| 501 | P | A | 0.7564 | |
| 502 | G | A | 0.0000 | |
| 503 | G | A | 0.6876 | |
| 504 | P | A | 0.9801 | |
| 505 | I | A | 1.6419 | |
| 506 | P | A | 0.0728 | |
| 507 | K | A | -1.2770 | |
| 508 | S | A | -0.6244 | |
| 509 | T | A | -0.6046 | |
| 510 | T | A | 0.0000 | |
| 511 | D | A | 0.0000 | |
| 512 | Y | A | 0.2587 | |
| 513 | A | A | 0.4728 | |
| 514 | W | A | 1.2405 | |
| 515 | Q | A | 0.0000 | |
| 516 | T | A | 0.1351 | |
| 517 | S | A | -0.2157 | |
| 518 | T | A | -0.1171 | |
| 519 | N | A | 0.0000 | |
| 520 | P | A | 0.3270 | |
| 521 | S | A | 0.0000 | |
| 522 | I | A | 0.7245 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.5471 | |
| 525 | T | A | 0.0000 | |
| 526 | E | A | -1.0354 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | -1.2991 | |
| 529 | G | A | -1.4570 | |
| 530 | E | A | -1.9138 | |
| 531 | L | A | -0.6783 | |
| 532 | A | A | -0.1722 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | 0.0000 | |
| 536 | N | A | -2.5795 | |
| 537 | K | A | -2.5114 | |
| 538 | L | A | -1.1783 | |
| 539 | G | A | -0.4526 | |
| 540 | D | A | -0.4759 | |
| 541 | V | A | 0.9478 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.3877 | |
| 545 | E | A | -0.8456 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | 0.0700 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.6108 | |
| 551 | L | A | 1.1108 | |
| 552 | G | A | 0.1654 | |
| 553 | S | A | -0.6360 | |
| 554 | G | A | -0.7198 | |
| 555 | P | A | -1.0739 | |
| 556 | P | A | -0.7896 | |
| 557 | L | A | -0.3024 | |
| 558 | T | A | 0.0142 | |
| 559 | H | A | 0.0000 | |
| 560 | Q | A | 0.0000 | |
| 561 | V | A | 0.6869 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -0.2853 | |
| 566 | P | A | -0.5840 | |
| 567 | G | A | -0.5707 | |
| 568 | G | A | -0.1533 | |
| 569 | P | A | -0.9157 | |
| 570 | I | A | 0.0000 | |
| 571 | P | A | 0.0000 | |
| 572 | K | A | -2.4925 | |
| 573 | S | A | -1.2347 | |
| 574 | Y | A | -1.1350 | |
| 575 | E | A | -2.8792 | |
| 576 | D | A | -3.0246 | |
| 577 | F | A | 0.0000 | |
| 578 | A | A | -0.2950 | |
| 579 | W | A | -0.1356 | |
| 580 | Q | A | 0.0000 | |
| 581 | T | A | -0.2311 | |
| 582 | S | A | -0.3216 | |
| 583 | T | A | -0.1720 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | 0.4571 | |
| 586 | S | A | 0.0000 | |
| 587 | V | A | 0.8272 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | 0.2501 | |
| 590 | T | A | 0.0000 | |
| 591 | E | A | -0.9322 | |
| 592 | G | A | -1.1472 | |
| 593 | S | A | -1.2338 | |
| 594 | G | A | -1.1304 | |
| 595 | T | A | -0.7817 | |
| 596 | L | A | -0.0290 | |
| 597 | W | A | 0.1300 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | -0.4632 | |
| 600 | E | A | -2.1585 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | -1.6989 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.3619 | |
| 605 | A | A | -2.0946 | |
| 606 | K | A | -2.1371 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.8770 | |
| 610 | D | A | -1.9848 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | 0.0000 | |
| 613 | R | A | -2.6724 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.6013 | |
| 616 | R | A | -2.8205 | |
| 617 | A | A | -1.3249 | |
| 618 | G | A | -1.2318 | |
| 619 | S | A | -1.3758 | |
| 620 | G | A | -1.0509 | |
| 621 | P | A | -0.7716 | |
| 622 | P | A | -0.2987 | |
| 623 | L | A | -0.0578 | |
| 624 | T | A | 0.0000 | |
| 625 | H | A | 0.0644 | |
| 626 | Q | A | 0.0000 | |
| 627 | V | A | 0.8892 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 0.8423 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -0.2783 | |
| 632 | P | A | -0.3944 | |
| 633 | G | A | -0.5004 | |
| 634 | G | A | -0.2752 | |
| 635 | P | A | 0.0000 | |
| 636 | I | A | 0.0729 | |
| 637 | P | A | 0.0000 | |
| 638 | K | A | -1.9224 | |
| 639 | S | A | -1.8126 | |
| 640 | Y | A | 0.0000 | |
| 641 | E | A | -2.1786 | |
| 642 | D | A | -1.4603 | |
| 643 | F | A | 0.0000 | |
| 644 | A | A | -0.2262 | |
| 645 | W | A | 0.0000 | |
| 646 | Q | A | -0.9148 | |
| 647 | T | A | 0.0000 | |
| 648 | S | A | -0.4977 | |
| 649 | T | A | -0.1830 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | 0.1160 | |
| 652 | S | A | 0.0000 | |
| 653 | V | A | 1.0326 | |
| 654 | F | A | 0.0000 | |
| 655 | W | A | 0.7329 | |
| 656 | T | A | 0.0000 | |
| 657 | E | A | -0.6402 | |
| 658 | G | A | -0.8948 | |
| 659 | S | A | -0.9547 | |
| 660 | G | A | -0.8621 | |
| 661 | E | A | -0.7556 | |
| 662 | L | A | 0.1860 | |
| 663 | S | A | 0.0000 | |
| 664 | L | A | -0.1446 | |
| 665 | A | A | 0.0000 | |
| 666 | G | A | -1.4073 | |
| 667 | N | A | 0.0000 | |
| 668 | E | A | -2.2781 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.9144 | |
| 671 | D | A | -2.0700 | |
| 672 | E | A | -2.7378 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -2.2705 | |
| 676 | L | A | -1.8775 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.9613 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.0292 | |
| 682 | L | A | -0.1071 | |
| 683 | G | A | -0.8778 | |
| 684 | S | A | -0.8355 | |
| 685 | G | A | -0.3888 | |
| 686 | P | A | -0.5410 | |
| 687 | P | A | -0.4780 | |
| 688 | L | A | 0.0000 | |
| 689 | T | A | 0.0000 | |
| 690 | H | A | 0.0000 | |
| 691 | Q | A | 0.0000 | |
| 692 | V | A | 0.8136 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.1073 | |
| 695 | V | A | 0.0000 | |
| 696 | P | A | -0.9902 | |
| 697 | P | A | -0.8584 | |
| 698 | G | A | -0.9168 | |
| 699 | G | A | -0.6293 | |
| 700 | P | A | 0.0000 | |
| 701 | I | A | 0.4998 | |
| 702 | P | A | 0.0000 | |
| 703 | K | A | -0.4590 | |
| 704 | S | A | -0.2427 | |
| 705 | Y | A | 0.0674 | |
| 706 | E | A | -0.4949 | |
| 707 | D | A | 0.3998 | |
| 708 | F | A | 1.1919 | |
| 709 | A | A | 0.4922 | |
| 710 | W | A | 0.0000 | |
| 711 | Q | A | -1.2536 | |
| 712 | T | A | -0.7632 | |
| 713 | S | A | -0.6309 | |
| 714 | T | A | 0.0000 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | 0.0000 | |
| 717 | S | A | 0.0000 | |
| 718 | V | A | 1.1122 | |
| 719 | F | A | 0.0000 | |
| 720 | W | A | 1.4175 | |
| 721 | T | A | 0.0000 | |
| 722 | E | A | 0.0000 | |
| 723 | G | A | -0.6948 | |
| 724 | S | A | -0.9878 | |
| 725 | G | A | -0.8082 | |
| 726 | S | A | -0.4942 | |
| 727 | L | A | 0.0983 | |
| 728 | W | A | 0.2422 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -1.0080 | |
| 731 | S | A | -1.4139 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.4507 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -1.2756 | |
| 736 | A | A | -1.4670 | |
| 737 | A | A | -1.0055 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.9107 | |
| 741 | H | A | -0.9822 | |
| 742 | F | A | -0.3243 | |
| 743 | S | A | -0.8588 | |
| 744 | S | A | -0.6589 | |
| 745 | V | A | -0.2284 | |
| 746 | L | A | 0.0000 | |
| 747 | A | A | -0.9078 | |
| 748 | Q | A | -0.9686 | |
| 749 | G | A | -1.0130 | |
| 750 | S | A | -1.0389 | |
| 751 | G | A | -0.9443 | |
| 752 | P | A | -0.6975 | |
| 753 | P | A | -0.6152 | |
| 754 | L | A | 0.1114 | |
| 755 | T | A | 0.0000 | |
| 756 | H | A | 0.7425 | |
| 757 | Q | A | 0.0000 | |
| 758 | V | A | 1.0325 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.7821 | |
| 761 | V | A | 0.0000 | |
| 762 | P | A | -0.4135 | |
| 763 | P | A | -0.5595 | |
| 764 | G | A | -0.3878 | |
| 765 | G | A | -0.0302 | |
| 766 | P | A | 0.0000 | |
| 767 | I | A | 1.3957 | |
| 768 | P | A | 0.3937 | |
| 769 | K | A | -0.0947 | |
| 770 | S | A | 0.0000 | |
| 771 | Y | A | 0.1887 | |
| 772 | E | A | -1.2113 | |
| 773 | D | A | -0.4075 | |
| 774 | F | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | W | A | 0.3250 | |
| 777 | Q | A | 0.0000 | |
| 778 | T | A | -0.3048 | |
| 779 | S | A | -0.3018 | |
| 780 | T | A | -0.2393 | |
| 781 | N | A | -0.0962 | |
| 782 | P | A | 0.1300 | |
| 783 | S | A | 0.0000 | |
| 784 | V | A | 0.9575 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 1.0666 | |
| 787 | T | A | 0.0000 | |
| 788 | E | A | -0.4956 | |
| 789 | G | A | -0.9426 | |
| 790 | S | A | -0.9879 | |
| 791 | G | A | -0.7647 | |
| 792 | E | A | -0.4919 | |
| 793 | L | A | 0.3064 | |
| 794 | Q | A | 0.2360 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | 0.0000 | |
| 797 | N | A | -2.0417 | |
| 798 | N | A | -2.1817 | |
| 799 | R | A | -3.1776 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -3.4491 | |
| 802 | D | A | -2.9049 | |
| 803 | A | A | -1.8845 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.5605 | |
| 807 | E | A | -2.0228 | |
| 808 | L | A | -1.0762 | |
| 809 | C | A | 0.0000 | |
| 810 | Q | A | -1.8648 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -0.8870 | |
| 813 | G | A | -1.1789 | |
| 814 | G | A | -1.1720 | |
| 815 | S | A | -0.7714 | |
| 816 | G | A | -0.8025 | |
| 817 | P | A | -0.6065 | |
| 818 | P | A | -0.5414 | |
| 819 | L | A | 0.0995 | |
| 820 | T | A | 0.2132 | |
| 821 | H | A | 0.0000 | |
| 822 | Q | A | 0.0000 | |
| 823 | V | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.0000 | |
| 826 | V | A | 0.0000 | |
| 827 | P | A | -0.2933 | |
| 828 | P | A | -0.4759 | |
| 829 | G | A | -0.6309 | |
| 830 | G | A | -0.2670 | |
| 831 | P | A | 0.2715 | |
| 832 | I | A | 1.2202 | |
| 833 | P | A | 0.0358 | |
| 834 | K | A | -0.9071 | |
| 835 | S | A | -1.0420 | |
| 836 | Y | A | -0.9611 | |
| 837 | E | A | -2.4865 | |
| 838 | D | A | -2.5537 | |
| 839 | F | A | 0.0000 | |
| 840 | A | A | -0.2767 | |
| 841 | W | A | 0.7671 | |
| 842 | Q | A | 0.0000 | |
| 843 | T | A | 0.0803 | |
| 844 | S | A | -0.0884 | |
| 845 | T | A | -0.1617 | |
| 846 | N | A | 0.0000 | |
| 847 | P | A | 0.4471 | |
| 848 | S | A | 0.0000 | |
| 849 | V | A | 0.9733 | |
| 850 | F | A | 0.0000 | |
| 851 | W | A | 0.6831 | |
| 852 | T | A | 0.0000 | |
| 853 | E | A | -0.8174 | |
| 854 | G | A | -1.0199 | |
| 855 | S | A | -0.9115 | |
| 856 | G | A | -0.3952 | |
| 857 | V | A | 0.1351 | |
| 858 | L | A | 0.5641 | |
| 859 | W | A | 0.8135 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | -1.3115 | |
| 862 | D | A | -2.6879 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -3.3794 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -1.3547 | |
| 867 | D | A | -1.2674 | |
| 868 | S | A | -1.0995 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.7595 | |
| 872 | S | A | -0.7688 | |
| 873 | L | A | 0.0000 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.4545 | |
| 876 | T | A | 0.2018 | |
| 877 | L | A | 0.6957 | |
| 878 | L | A | 1.0986 | |
| 879 | A | A | 0.4280 | |
| 880 | G | A | -0.1875 | |
| 881 | S | A | -0.2715 | |
| 882 | G | A | -0.2984 | |
| 883 | P | A | 0.0000 | |
| 884 | P | A | 0.0441 | |
| 885 | L | A | 0.5992 | |
| 886 | T | A | 0.4900 | |
| 887 | H | A | 0.0000 | |
| 888 | Q | A | 0.0000 | |
| 889 | V | A | 1.1010 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 0.5286 | |
| 892 | V | A | 0.5734 | |
| 893 | P | A | 0.0000 | |
| 894 | P | A | -0.3921 | |
| 895 | G | A | -1.0559 | |
| 896 | G | A | -0.7863 | |
| 897 | P | A | 0.0000 | |
| 898 | I | A | 0.0000 | |
| 899 | P | A | -0.1754 | |
| 900 | K | A | 0.0000 | |
| 901 | S | A | -0.5115 | |
| 902 | Y | A | -0.9689 | |
| 903 | E | A | -2.1516 | |
| 904 | D | A | -1.6146 | |
| 905 | F | A | 0.0000 | |
| 906 | A | A | -0.1680 | |
| 907 | W | A | 0.2374 | |
| 908 | Q | A | 0.0000 | |
| 909 | T | A | -0.0537 | |
| 910 | S | A | -0.1435 | |
| 911 | T | A | -0.1398 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | 0.3046 | |
| 914 | S | A | 0.0000 | |
| 915 | V | A | 0.8219 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | 0.5756 | |
| 918 | T | A | 0.0000 | |
| 919 | E | A | -0.4977 | |
| 920 | G | A | -0.6196 | |
| 921 | S | A | -0.7578 | |
| 922 | G | A | -0.5799 | |
| 923 | E | A | 0.0178 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | 0.0000 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | -1.2030 | |
| 928 | N | A | -2.5146 | |
| 929 | N | A | -2.1224 | |
| 930 | C | A | 0.0000 | |
| 931 | L | A | 0.4245 | |
| 932 | G | A | -0.0096 | |
| 933 | D | A | -0.3493 | |
| 934 | A | A | -0.1004 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.4820 | |
| 938 | Q | A | -0.9844 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.0480 | |
| 942 | S | A | -0.9711 | |
| 943 | V | A | 0.0000 | |
| 944 | R | A | -2.3853 | |
| 945 | G | A | -1.3689 | |
| 946 | S | A | -0.7692 | |
| 947 | G | A | -0.8466 | |
| 948 | P | A | -0.5596 | |
| 949 | P | A | -0.4023 | |
| 950 | L | A | -0.2144 | |
| 951 | T | A | -0.5361 | |
| 952 | H | A | 0.0000 | |
| 953 | Q | A | 0.0000 | |
| 954 | V | A | 0.4582 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.2931 | |
| 957 | V | A | 0.0508 | |
| 958 | P | A | 0.0000 | |
| 959 | P | A | -0.5124 | |
| 960 | G | A | -0.6551 | |
| 961 | G | A | -0.4473 | |
| 962 | P | A | -0.4229 | |
| 963 | I | A | -0.1688 | |
| 964 | P | A | -0.6490 | |
| 965 | K | A | -1.0165 | |
| 966 | S | A | -1.0976 | |
| 967 | Y | A | 0.0000 | |
| 968 | E | A | -1.5214 | |
| 969 | D | A | -1.1290 | |
| 970 | F | A | 0.0000 | |
| 971 | A | A | -0.3075 | |
| 972 | W | A | 0.0262 | |
| 973 | Q | A | 0.0000 | |
| 974 | T | A | -0.2095 | |
| 975 | S | A | -0.2932 | |
| 976 | T | A | -0.1427 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | 0.2185 | |
| 979 | S | A | 0.0000 | |
| 980 | V | A | 0.5632 | |
| 981 | F | A | 0.0000 | |
| 982 | W | A | 0.2539 | |
| 983 | T | A | -0.2053 | |
| 984 | E | A | -0.5345 | |
| 985 | G | A | -0.7002 | |
| 986 | S | A | -0.6659 | |
| 987 | G | A | -0.5401 | |
| 988 | Q | A | -0.4741 | |
| 989 | L | A | 0.0000 | |
| 990 | V | A | 0.5174 | |
| 991 | L | A | 0.0000 | |
| 992 | Y | A | 0.2836 | |
| 993 | D | A | -1.5477 | |
| 994 | I | A | 0.0000 | |
| 995 | Y | A | 0.0000 | |
| 996 | W | A | -0.1395 | |
| 997 | S | A | -1.5545 | |
| 998 | E | A | -3.2247 | |
| 999 | E | A | -3.1495 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -3.5655 | |
| 1002 | D | A | -4.0136 | |
| 1003 | R | A | -3.1748 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.4447 | |
| 1006 | A | A | -2.9008 | |
| 1007 | L | A | 0.0000 | |
| 1008 | E | A | -2.8820 | |
| 1009 | K | A | -3.2557 | |
| 1010 | D | A | -3.2013 | |
| 1011 | G | A | 0.0000 | |
| 1012 | S | A | -1.3854 | |
| 1013 | G | A | -0.8849 | |
| 1014 | P | A | -1.0109 | |
| 1015 | P | A | -0.8598 | |
| 1016 | L | A | -0.2757 | |
| 1017 | T | A | -0.1186 | |
| 1018 | H | A | 0.0000 | |
| 1019 | Q | A | 0.0000 | |
| 1020 | V | A | 1.2125 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.3408 | |
| 1023 | V | A | 0.0000 | |
| 1024 | P | A | -0.2644 | |
| 1025 | P | A | -0.5018 | |
| 1026 | G | A | -0.5610 | |
| 1027 | G | A | -0.4748 | |
| 1028 | P | A | 0.0873 | |
| 1029 | I | A | 0.7783 | |
| 1030 | P | A | 0.0354 | |
| 1031 | K | A | 0.0000 | |
| 1032 | S | A | -0.2367 | |
| 1033 | Y | A | 0.0000 | |
| 1034 | E | A | -1.4897 | |
| 1035 | D | A | -2.0246 | |
| 1036 | F | A | -0.3306 | |
| 1037 | A | A | 0.1214 | |
| 1038 | W | A | 0.8931 | |
| 1039 | Q | A | 0.0000 | |
| 1040 | T | A | -0.1060 | |
| 1041 | S | A | -0.4450 | |
| 1042 | T | A | -0.2512 | |
| 1043 | N | A | -0.0036 | |
| 1044 | P | A | 0.3224 | |
| 1045 | S | A | 0.0000 | |
| 1046 | V | A | 1.3675 | |
| 1047 | F | A | 1.2601 | |
| 1048 | W | A | 1.4184 | |
| 1049 | T | A | 0.0052 | |
| 1050 | E | A | -0.9269 | |
| 1051 | G | A | -1.2346 | |
| 1052 | S | A | -1.0230 | |
| 1053 | G | A | -0.8165 | |
| 1054 | R | A | -1.0397 | |
| 1055 | V | A | -0.2433 | |
| 1056 | I | A | 0.0000 | |
| 1057 | S | A | -0.5407 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D 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 A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.4275 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 A4D Score |
|||
| model_3 | -0.4275 | View | CSV | PDB |
| model_1 | -0.4748 | View | CSV | PDB |
| model_0 | -0.4775 | View | CSV | PDB |
| model_11 | -0.4816 | View | CSV | PDB |
| model_4 | -0.484 | View | CSV | PDB |
| model_6 | -0.4874 | View | CSV | PDB |
| CABS_average | -0.4972 | View | CSV | PDB |
| model_9 | -0.4996 | View | CSV | PDB |
| model_2 | -0.5014 | View | CSV | PDB |
| model_5 | -0.5034 | View | CSV | PDB |
| input | -0.5054 | View | CSV | PDB |
| model_8 | -0.5342 | View | CSV | PDB |
| model_7 | -0.5396 | View | CSV | PDB |
| model_10 | -0.5555 | 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