Project name: C19_A6_GH_A2_EF_GSG
Status: done
Started: 2026-07-21 11:05:26
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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 (00:14:12)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:42:52)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:42:57)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:43:03)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:43:08)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:43:13)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:43:19)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:43:24)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:43:29)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:43:35)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:43:40)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:43:45)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:43:51)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:43:56)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:44:09)
[INFO] Main: Simulation completed successfully. (02:44:14)
|
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
- -4.4451
- Maximal score value
- 1.9247
- Average score
- -0.8057
- Total score value
- -619.6081
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 | 0.5274 | |
| 2 | L | A | 1.5761 | |
| 3 | D | A | 0.9307 | |
| 4 | I | A | 1.9247 | |
| 5 | Q | A | 0.7507 | |
| 6 | S | A | -0.2570 | |
| 7 | L | A | -0.6004 | |
| 8 | D | A | -1.8542 | |
| 9 | I | A | -1.1571 | |
| 10 | Q | A | -1.5415 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -2.1381 | |
| 13 | E | A | -2.4424 | |
| 14 | L | A | -0.4481 | |
| 15 | S | A | -1.2375 | |
| 16 | D | A | -2.5610 | |
| 17 | A | A | -2.2964 | |
| 18 | R | A | -3.0618 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -2.0029 | |
| 21 | E | A | -2.6174 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.9044 | |
| 24 | P | A | -0.7505 | |
| 25 | L | A | -0.1985 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5866 | |
| 28 | G | A | -0.1965 | |
| 29 | S | A | -0.0991 | |
| 30 | G | A | 0.1182 | |
| 31 | Y | A | 0.2774 | |
| 32 | P | A | 0.3894 | |
| 33 | T | A | 0.4386 | |
| 34 | F | A | 0.8219 | |
| 35 | G | A | -0.5679 | |
| 36 | E | A | -2.2619 | |
| 37 | H | A | -3.2649 | |
| 38 | K | A | -3.8166 | |
| 39 | Q | A | -3.2580 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -1.6573 | |
| 42 | N | A | -1.8273 | |
| 43 | L | A | -0.8270 | |
| 44 | Q | A | -1.3576 | |
| 45 | Y | A | 0.0000 | |
| 46 | G | A | -0.2542 | |
| 47 | Q | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | 0.0350 | |
| 50 | S | A | -0.0934 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | -0.5550 | |
| 53 | R | A | -1.1116 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -0.9548 | |
| 56 | D | A | -1.4723 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -0.8084 | |
| 61 | E | A | -1.7790 | |
| 62 | A | A | -1.1907 | |
| 63 | R | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -1.2874 | |
| 66 | D | A | -1.0579 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -0.7234 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | -0.5620 | |
| 72 | R | A | -1.2675 | |
| 73 | V | A | 0.5494 | |
| 74 | G | A | -0.1415 | |
| 75 | S | A | -0.3612 | |
| 76 | G | A | -0.4963 | |
| 77 | Y | A | -0.2331 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | 0.2567 | |
| 80 | F | A | 0.2040 | |
| 81 | G | A | -0.4640 | |
| 82 | E | A | -1.5680 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | -3.8699 | |
| 85 | Q | A | -3.2087 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.8410 | |
| 88 | N | A | -2.0758 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -1.5513 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -1.1446 | |
| 93 | Q | A | -1.2748 | |
| 94 | C | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | -0.6521 | |
| 97 | G | A | -0.5541 | |
| 98 | E | A | -0.7879 | |
| 99 | L | A | -0.1141 | |
| 100 | N | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | 0.0000 | |
| 103 | S | A | 0.0000 | |
| 104 | N | A | -1.4709 | |
| 105 | E | A | -2.2145 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | -1.2581 | |
| 108 | D | A | -0.9755 | |
| 109 | V | A | 0.5537 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.5202 | |
| 113 | C | A | -0.6154 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.2389 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | -0.5009 | |
| 119 | Q | A | -1.3963 | |
| 120 | G | A | -1.4228 | |
| 121 | S | A | -1.0960 | |
| 122 | G | A | -0.8142 | |
| 123 | Y | A | -0.1612 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | -0.0288 | |
| 126 | F | A | 0.0000 | |
| 127 | G | A | -0.6619 | |
| 128 | E | A | 0.0000 | |
| 129 | H | A | 0.0000 | |
| 130 | K | A | -3.5040 | |
| 131 | Q | A | -2.6975 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -1.3324 | |
| 134 | N | A | -1.9112 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.6930 | |
| 137 | Y | A | 0.0000 | |
| 138 | G | A | -1.0731 | |
| 139 | Q | A | -1.0973 | |
| 140 | C | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.4992 | |
| 143 | G | A | -0.5065 | |
| 144 | K | A | -0.6472 | |
| 145 | L | A | -0.0774 | |
| 146 | S | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | 0.0000 | |
| 149 | N | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -0.1247 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.1426 | |
| 154 | G | A | -0.4373 | |
| 155 | A | A | -0.1614 | |
| 156 | G | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.3856 | |
| 159 | V | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -1.3375 | |
| 163 | T | A | 0.0000 | |
| 164 | L | A | -1.2143 | |
| 165 | R | A | -2.3204 | |
| 166 | T | A | -1.3868 | |
| 167 | G | A | -1.0898 | |
| 168 | S | A | -0.8892 | |
| 169 | G | A | -0.7250 | |
| 170 | Y | A | -0.1041 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | -0.3128 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -1.7044 | |
| 175 | E | A | -3.4423 | |
| 176 | H | A | 0.0000 | |
| 177 | K | A | -3.9923 | |
| 178 | Q | A | -3.2800 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -1.2299 | |
| 181 | N | A | -1.5978 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.5220 | |
| 184 | Y | A | -0.9419 | |
| 185 | G | A | -1.0468 | |
| 186 | Q | A | -1.1249 | |
| 187 | C | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | S | A | -0.4957 | |
| 190 | G | A | -0.5278 | |
| 191 | E | A | -0.6146 | |
| 192 | L | A | 0.0000 | |
| 193 | H | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | 0.2077 | |
| 197 | N | A | 0.3217 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | 1.1579 | |
| 200 | G | A | 0.0156 | |
| 201 | D | A | -0.4071 | |
| 202 | A | A | -0.1540 | |
| 203 | G | A | -0.1571 | |
| 204 | L | A | -0.0980 | |
| 205 | Q | A | -0.9452 | |
| 206 | L | A | -0.2730 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -1.7092 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | -0.5033 | |
| 212 | L | A | -0.6172 | |
| 213 | G | A | -1.0925 | |
| 214 | S | A | -0.6776 | |
| 215 | G | A | -0.4345 | |
| 216 | Y | A | -0.2210 | |
| 217 | P | A | -0.1179 | |
| 218 | T | A | -0.2769 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | -1.9860 | |
| 221 | E | A | -3.6620 | |
| 222 | H | A | 0.0000 | |
| 223 | K | A | -4.3281 | |
| 224 | Q | A | -3.3715 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -0.8681 | |
| 227 | N | A | -1.2395 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.2863 | |
| 230 | Y | A | 0.0000 | |
| 231 | G | A | -1.1500 | |
| 232 | Q | A | -1.1306 | |
| 233 | C | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | S | A | -0.5818 | |
| 236 | G | A | -0.5990 | |
| 237 | K | A | -0.6801 | |
| 238 | L | A | -0.2328 | |
| 239 | Q | A | 0.0000 | |
| 240 | L | A | 0.1321 | |
| 241 | E | A | 0.0000 | |
| 242 | Y | A | 0.0634 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.0729 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.1072 | |
| 247 | A | A | -1.0299 | |
| 248 | A | A | -0.7538 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -1.9684 | |
| 252 | P | A | -1.3640 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -1.2859 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | -1.1884 | |
| 258 | R | A | -2.2801 | |
| 259 | A | A | -1.0578 | |
| 260 | G | A | -0.9992 | |
| 261 | S | A | -1.2655 | |
| 262 | G | A | -1.2602 | |
| 263 | Y | A | 0.0000 | |
| 264 | P | A | -0.2562 | |
| 265 | T | A | -0.4098 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | E | A | -2.5524 | |
| 269 | H | A | 0.0000 | |
| 270 | K | A | -3.9904 | |
| 271 | Q | A | -2.7260 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -0.9373 | |
| 274 | N | A | -1.1399 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -1.2068 | |
| 277 | Y | A | 0.0000 | |
| 278 | G | A | -1.1272 | |
| 279 | Q | A | -1.3702 | |
| 280 | C | A | 0.0000 | |
| 281 | G | A | -0.6132 | |
| 282 | S | A | -0.4777 | |
| 283 | G | A | -0.5825 | |
| 284 | E | A | -0.6139 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | N | A | -1.9513 | |
| 291 | D | A | -2.3108 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -1.9004 | |
| 294 | E | A | -2.3228 | |
| 295 | A | A | -1.4569 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -2.2217 | |
| 299 | V | A | -1.5384 | |
| 300 | L | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.4070 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | -1.9168 | |
| 305 | K | A | -3.0861 | |
| 306 | D | A | -3.3069 | |
| 307 | G | A | 0.0000 | |
| 308 | S | A | -1.5270 | |
| 309 | G | A | -0.8577 | |
| 310 | Y | A | 0.0000 | |
| 311 | P | A | 0.0000 | |
| 312 | T | A | 0.0178 | |
| 313 | F | A | 0.0000 | |
| 314 | G | A | -1.0187 | |
| 315 | E | A | -2.9189 | |
| 316 | H | A | 0.0000 | |
| 317 | K | A | -4.4451 | |
| 318 | Q | A | -3.4456 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -1.6740 | |
| 321 | N | A | -1.8032 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | -1.0131 | |
| 324 | Y | A | 0.0000 | |
| 325 | G | A | -0.6797 | |
| 326 | Q | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | -0.5754 | |
| 329 | S | A | -0.4639 | |
| 330 | G | A | -0.5185 | |
| 331 | A | A | -0.3737 | |
| 332 | L | A | -0.0511 | |
| 333 | K | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | 0.0000 | |
| 336 | S | A | -1.1245 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -1.8144 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.2023 | |
| 341 | S | A | -0.6874 | |
| 342 | D | A | -1.3748 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.2880 | |
| 346 | D | A | -1.8667 | |
| 347 | L | A | 0.0000 | |
| 348 | C | A | -1.1259 | |
| 349 | G | A | -1.1286 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | -0.3299 | |
| 352 | A | A | -0.2101 | |
| 353 | S | A | -0.8820 | |
| 354 | G | A | -0.7609 | |
| 355 | S | A | -0.5517 | |
| 356 | G | A | -0.7061 | |
| 357 | Y | A | 0.2151 | |
| 358 | P | A | 0.3911 | |
| 359 | T | A | 0.8098 | |
| 360 | F | A | 0.9364 | |
| 361 | G | A | -0.6072 | |
| 362 | E | A | -2.4156 | |
| 363 | H | A | -3.0713 | |
| 364 | K | A | -3.9915 | |
| 365 | Q | A | -3.0088 | |
| 366 | A | A | -2.2214 | |
| 367 | T | A | -1.7081 | |
| 368 | N | A | -1.5710 | |
| 369 | L | A | -0.6568 | |
| 370 | Q | A | -0.9561 | |
| 371 | Y | A | 0.2897 | |
| 372 | G | A | -0.3274 | |
| 373 | Q | A | -0.6543 | |
| 374 | C | A | -0.4301 | |
| 375 | G | A | -0.7053 | |
| 376 | S | A | -0.6454 | |
| 377 | G | A | -0.6298 | |
| 378 | E | A | -0.4740 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -2.3630 | |
| 385 | K | A | -2.3103 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.5591 | |
| 388 | D | A | -0.3539 | |
| 389 | V | A | 0.8538 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.4206 | |
| 393 | E | A | -1.0165 | |
| 394 | L | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.4460 | |
| 397 | G | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | L | A | 0.3947 | |
| 400 | G | A | -0.1638 | |
| 401 | S | A | -0.7411 | |
| 402 | G | A | -1.3872 | |
| 403 | D | A | -2.3136 | |
| 404 | A | A | -1.7327 | |
| 405 | T | A | -1.6782 | |
| 406 | Q | A | -2.4622 | |
| 407 | K | A | -2.9078 | |
| 408 | P | A | -2.1994 | |
| 409 | N | A | -2.4331 | |
| 410 | T | A | -2.0231 | |
| 411 | A | A | -1.8596 | |
| 412 | K | A | -2.8637 | |
| 413 | H | A | -2.3755 | |
| 414 | P | A | -1.4539 | |
| 415 | A | A | -1.0466 | |
| 416 | L | A | -0.8324 | |
| 417 | E | A | -2.0719 | |
| 418 | A | A | -1.3785 | |
| 419 | T | A | -1.3048 | |
| 420 | Q | A | -1.6252 | |
| 421 | P | A | -1.2357 | |
| 422 | G | A | -1.1202 | |
| 423 | G | A | -1.3641 | |
| 424 | S | A | -1.0771 | |
| 425 | G | A | -0.5627 | |
| 426 | T | A | 0.0000 | |
| 427 | L | A | 0.0661 | |
| 428 | W | A | 0.3011 | |
| 429 | I | A | 0.0000 | |
| 430 | W | A | -0.1507 | |
| 431 | E | A | -1.3045 | |
| 432 | C | A | 0.0000 | |
| 433 | G | A | -1.5427 | |
| 434 | I | A | 0.0000 | |
| 435 | T | A | -1.1828 | |
| 436 | A | A | -1.6337 | |
| 437 | K | A | -1.6908 | |
| 438 | G | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | G | A | -1.6281 | |
| 441 | D | A | -1.3271 | |
| 442 | L | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | R | A | -2.2005 | |
| 445 | V | A | 0.0000 | |
| 446 | L | A | -0.7259 | |
| 447 | R | A | -2.2448 | |
| 448 | A | A | -1.3950 | |
| 449 | G | A | -1.3835 | |
| 450 | S | A | -1.2638 | |
| 451 | G | A | -1.6865 | |
| 452 | D | A | -1.6424 | |
| 453 | A | A | 0.0000 | |
| 454 | T | A | 0.0000 | |
| 455 | Q | A | -2.0243 | |
| 456 | K | A | -1.8652 | |
| 457 | P | A | -1.5420 | |
| 458 | N | A | -1.7585 | |
| 459 | T | A | -1.6319 | |
| 460 | A | A | -2.3473 | |
| 461 | K | A | -3.3266 | |
| 462 | H | A | 0.0000 | |
| 463 | P | A | -1.3700 | |
| 464 | A | A | -0.9766 | |
| 465 | L | A | 0.0000 | |
| 466 | E | A | -1.2344 | |
| 467 | A | A | 0.0000 | |
| 468 | T | A | 0.0000 | |
| 469 | Q | A | -0.9099 | |
| 470 | P | A | 0.0000 | |
| 471 | G | A | -1.1469 | |
| 472 | G | A | -1.3584 | |
| 473 | S | A | -1.0325 | |
| 474 | G | A | -0.7898 | |
| 475 | E | A | -0.7633 | |
| 476 | L | A | 0.1234 | |
| 477 | S | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | A | A | -0.9866 | |
| 480 | G | A | 0.0000 | |
| 481 | N | A | -2.2343 | |
| 482 | E | A | -2.3062 | |
| 483 | L | A | 0.0000 | |
| 484 | G | A | -1.7391 | |
| 485 | D | A | -1.8384 | |
| 486 | E | A | -2.5258 | |
| 487 | G | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | R | A | -1.3822 | |
| 490 | L | A | -1.1490 | |
| 491 | L | A | -0.6499 | |
| 492 | C | A | 0.0000 | |
| 493 | E | A | -1.1541 | |
| 494 | T | A | 0.0000 | |
| 495 | L | A | -0.1954 | |
| 496 | L | A | 0.2449 | |
| 497 | G | A | -0.6917 | |
| 498 | S | A | -1.0367 | |
| 499 | G | A | -1.1824 | |
| 500 | D | A | -1.9964 | |
| 501 | A | A | -1.3961 | |
| 502 | T | A | -1.1382 | |
| 503 | Q | A | -1.5393 | |
| 504 | K | A | -1.6957 | |
| 505 | P | A | -1.3470 | |
| 506 | N | A | 0.0000 | |
| 507 | T | A | -1.2598 | |
| 508 | A | A | 0.0000 | |
| 509 | K | A | -3.1308 | |
| 510 | H | A | -2.8302 | |
| 511 | P | A | 0.0000 | |
| 512 | A | A | -1.2584 | |
| 513 | L | A | 0.0000 | |
| 514 | E | A | -1.3128 | |
| 515 | A | A | 0.0000 | |
| 516 | T | A | -0.6561 | |
| 517 | Q | A | 0.0000 | |
| 518 | P | A | -0.7756 | |
| 519 | G | A | -0.8237 | |
| 520 | G | A | -0.9070 | |
| 521 | S | A | -1.0145 | |
| 522 | G | A | -0.8605 | |
| 523 | S | A | -0.4899 | |
| 524 | L | A | -0.1426 | |
| 525 | W | A | -0.1248 | |
| 526 | V | A | 0.0000 | |
| 527 | K | A | -1.7934 | |
| 528 | S | A | 0.0000 | |
| 529 | C | A | -1.4226 | |
| 530 | S | A | -1.6883 | |
| 531 | F | A | 0.0000 | |
| 532 | T | A | -1.3553 | |
| 533 | A | A | -1.1580 | |
| 534 | A | A | -0.6831 | |
| 535 | C | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | S | A | -0.9158 | |
| 538 | H | A | -0.6714 | |
| 539 | F | A | 0.0000 | |
| 540 | S | A | -0.9424 | |
| 541 | S | A | -0.4759 | |
| 542 | V | A | 0.0000 | |
| 543 | L | A | 0.0000 | |
| 544 | A | A | -0.5692 | |
| 545 | Q | A | -0.8295 | |
| 546 | G | A | -0.8786 | |
| 547 | S | A | -0.9820 | |
| 548 | G | A | -1.3584 | |
| 549 | D | A | -1.0069 | |
| 550 | A | A | -0.9993 | |
| 551 | T | A | -0.7889 | |
| 552 | Q | A | 0.0000 | |
| 553 | K | A | -1.1636 | |
| 554 | P | A | 0.0000 | |
| 555 | N | A | -1.5796 | |
| 556 | T | A | -1.5882 | |
| 557 | A | A | -1.9584 | |
| 558 | K | A | -2.3401 | |
| 559 | H | A | 0.0000 | |
| 560 | P | A | -0.9650 | |
| 561 | A | A | -0.6777 | |
| 562 | L | A | 0.0000 | |
| 563 | E | A | -1.2935 | |
| 564 | A | A | 0.0000 | |
| 565 | T | A | -0.6096 | |
| 566 | Q | A | 0.0000 | |
| 567 | P | A | -0.6198 | |
| 568 | G | A | -0.8393 | |
| 569 | G | A | -1.1375 | |
| 570 | S | A | -0.9254 | |
| 571 | G | A | -0.9231 | |
| 572 | E | A | -0.8420 | |
| 573 | L | A | 0.0031 | |
| 574 | Q | A | -0.2455 | |
| 575 | I | A | 0.0000 | |
| 576 | S | A | 0.0000 | |
| 577 | N | A | -2.0090 | |
| 578 | N | A | -2.4907 | |
| 579 | R | A | -2.6285 | |
| 580 | L | A | 0.0000 | |
| 581 | E | A | -2.6417 | |
| 582 | D | A | -2.5290 | |
| 583 | A | A | -1.6319 | |
| 584 | G | A | 0.0000 | |
| 585 | V | A | 0.0000 | |
| 586 | R | A | -2.7873 | |
| 587 | E | A | -2.0971 | |
| 588 | L | A | 0.0000 | |
| 589 | C | A | 0.0000 | |
| 590 | Q | A | -1.8925 | |
| 591 | G | A | -1.1858 | |
| 592 | L | A | -0.6658 | |
| 593 | G | A | -0.3075 | |
| 594 | G | A | -0.4687 | |
| 595 | S | A | -0.8228 | |
| 596 | G | A | -0.8792 | |
| 597 | D | A | -0.6846 | |
| 598 | A | A | -0.3293 | |
| 599 | T | A | -0.5700 | |
| 600 | Q | A | 0.0000 | |
| 601 | K | A | -1.2685 | |
| 602 | P | A | -1.2227 | |
| 603 | N | A | -1.3716 | |
| 604 | T | A | -1.1991 | |
| 605 | A | A | -1.3625 | |
| 606 | K | A | -2.1421 | |
| 607 | H | A | 0.0000 | |
| 608 | P | A | -1.0089 | |
| 609 | A | A | -0.6471 | |
| 610 | L | A | 0.0000 | |
| 611 | E | A | -1.3121 | |
| 612 | A | A | 0.0000 | |
| 613 | T | A | -0.7059 | |
| 614 | Q | A | 0.0000 | |
| 615 | P | A | -0.5220 | |
| 616 | G | A | -0.7914 | |
| 617 | G | A | -0.8590 | |
| 618 | S | A | -0.8832 | |
| 619 | G | A | -0.6407 | |
| 620 | V | A | -0.3521 | |
| 621 | L | A | 0.0000 | |
| 622 | W | A | 0.0448 | |
| 623 | L | A | 0.0000 | |
| 624 | A | A | -1.1557 | |
| 625 | D | A | -1.9801 | |
| 626 | C | A | 0.0000 | |
| 627 | D | A | -1.7196 | |
| 628 | V | A | 0.0000 | |
| 629 | S | A | -1.2684 | |
| 630 | D | A | -2.1321 | |
| 631 | S | A | -1.5951 | |
| 632 | S | A | 0.0000 | |
| 633 | C | A | 0.0000 | |
| 634 | S | A | -0.9913 | |
| 635 | S | A | -0.8310 | |
| 636 | L | A | -0.1567 | |
| 637 | A | A | 0.0000 | |
| 638 | A | A | 0.4742 | |
| 639 | T | A | 0.0000 | |
| 640 | L | A | 0.7281 | |
| 641 | L | A | 1.2307 | |
| 642 | A | A | 0.5692 | |
| 643 | G | A | 0.2209 | |
| 644 | S | A | -0.1673 | |
| 645 | G | A | -0.4992 | |
| 646 | D | A | 0.0000 | |
| 647 | A | A | -0.5400 | |
| 648 | T | A | -1.1358 | |
| 649 | Q | A | -1.6139 | |
| 650 | K | A | -1.4598 | |
| 651 | P | A | -1.1417 | |
| 652 | N | A | -0.8815 | |
| 653 | T | A | -0.9193 | |
| 654 | A | A | 0.0000 | |
| 655 | K | A | -2.0921 | |
| 656 | H | A | -2.0788 | |
| 657 | P | A | 0.0000 | |
| 658 | A | A | -0.6081 | |
| 659 | L | A | 0.0000 | |
| 660 | E | A | -1.0322 | |
| 661 | A | A | 0.0000 | |
| 662 | T | A | -0.4697 | |
| 663 | Q | A | 0.0000 | |
| 664 | P | A | 0.0000 | |
| 665 | G | A | -0.7572 | |
| 666 | G | A | 0.0000 | |
| 667 | S | A | -0.7772 | |
| 668 | G | A | -0.6920 | |
| 669 | E | A | -0.6054 | |
| 670 | L | A | 0.0000 | |
| 671 | D | A | -0.1261 | |
| 672 | L | A | 0.0000 | |
| 673 | S | A | 0.0000 | |
| 674 | N | A | -1.3049 | |
| 675 | N | A | 0.0000 | |
| 676 | C | A | -0.0086 | |
| 677 | L | A | 0.0000 | |
| 678 | G | A | -0.2723 | |
| 679 | D | A | -0.5210 | |
| 680 | A | A | -0.2572 | |
| 681 | G | A | 0.0000 | |
| 682 | I | A | 0.0000 | |
| 683 | L | A | -0.3399 | |
| 684 | Q | A | -1.4748 | |
| 685 | L | A | 0.0000 | |
| 686 | V | A | 0.0000 | |
| 687 | E | A | -2.3387 | |
| 688 | S | A | -1.1742 | |
| 689 | V | A | 0.0000 | |
| 690 | R | A | -2.4611 | |
| 691 | G | A | -1.4881 | |
| 692 | S | A | -0.7144 | |
| 693 | G | A | -1.3429 | |
| 694 | D | A | -0.8587 | |
| 695 | A | A | -0.6426 | |
| 696 | T | A | 0.0000 | |
| 697 | Q | A | -1.5127 | |
| 698 | K | A | 0.0000 | |
| 699 | P | A | 0.0000 | |
| 700 | N | A | -1.5897 | |
| 701 | T | A | -1.1751 | |
| 702 | A | A | -1.2343 | |
| 703 | K | A | -2.3093 | |
| 704 | H | A | 0.0000 | |
| 705 | P | A | -1.0025 | |
| 706 | A | A | -0.4253 | |
| 707 | L | A | 0.4546 | |
| 708 | E | A | -0.5497 | |
| 709 | A | A | -0.2715 | |
| 710 | T | A | -0.3998 | |
| 711 | Q | A | 0.0000 | |
| 712 | P | A | -0.5848 | |
| 713 | G | A | -0.8621 | |
| 714 | G | A | -0.8983 | |
| 715 | S | A | -0.9477 | |
| 716 | G | A | -0.7865 | |
| 717 | Q | A | -0.7894 | |
| 718 | L | A | 0.0000 | |
| 719 | V | A | -0.3792 | |
| 720 | L | A | 0.0000 | |
| 721 | Y | A | -1.0629 | |
| 722 | D | A | -1.6606 | |
| 723 | I | A | 0.7898 | |
| 724 | Y | A | 0.5135 | |
| 725 | W | A | 0.3289 | |
| 726 | S | A | -1.5488 | |
| 727 | E | A | -3.4570 | |
| 728 | E | A | -3.8865 | |
| 729 | M | A | 0.0000 | |
| 730 | E | A | -3.2887 | |
| 731 | D | A | -4.2843 | |
| 732 | R | A | -3.6017 | |
| 733 | L | A | 0.0000 | |
| 734 | Q | A | -4.0223 | |
| 735 | A | A | -3.3853 | |
| 736 | L | A | 0.0000 | |
| 737 | E | A | -3.8579 | |
| 738 | K | A | -3.8577 | |
| 739 | D | A | -3.6051 | |
| 740 | G | A | -2.6625 | |
| 741 | S | A | -2.2821 | |
| 742 | G | A | 0.0000 | |
| 743 | D | A | -1.9536 | |
| 744 | A | A | 0.0000 | |
| 745 | T | A | -1.6044 | |
| 746 | Q | A | -1.7096 | |
| 747 | K | A | -2.3754 | |
| 748 | P | A | -1.8552 | |
| 749 | N | A | -2.2666 | |
| 750 | T | A | -1.8717 | |
| 751 | A | A | -1.7193 | |
| 752 | K | A | -2.3836 | |
| 753 | H | A | -1.8398 | |
| 754 | P | A | -1.3539 | |
| 755 | A | A | -0.5083 | |
| 756 | L | A | 0.2742 | |
| 757 | E | A | -0.5077 | |
| 758 | A | A | -0.3770 | |
| 759 | T | A | -0.6905 | |
| 760 | Q | A | -1.1868 | |
| 761 | P | A | 0.0000 | |
| 762 | G | A | -0.3030 | |
| 763 | G | A | -0.3818 | |
| 764 | S | A | -0.7309 | |
| 765 | G | A | -0.7843 | |
| 766 | R | A | -0.8929 | |
| 767 | V | A | 0.9315 | |
| 768 | I | A | 1.3386 | |
| 769 | S | A | 0.5320 |
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, -0.8057 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_10 | -0.8057 | View | CSV | PDB |
| model_2 | -0.8091 | View | CSV | PDB |
| model_8 | -0.8167 | View | CSV | PDB |
| model_9 | -0.8311 | View | CSV | PDB |
| model_1 | -0.8319 | View | CSV | PDB |
| CABS_average | -0.8386 | View | CSV | PDB |
| model_6 | -0.8429 | View | CSV | PDB |
| model_0 | -0.8442 | View | CSV | PDB |
| model_4 | -0.8458 | View | CSV | PDB |
| model_7 | -0.8505 | View | CSV | PDB |
| model_3 | -0.8579 | View | CSV | PDB |
| model_5 | -0.858 | View | CSV | PDB |
| model_11 | -0.8693 | View | CSV | PDB |
| input | -1.0753 | 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