Project name: C22_B3_EF_E18_EF_DIRECT
Status: done
Started: 2026-07-21 10:54:56
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:13:08)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:47:00)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:47:10)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:47:19)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:47:29)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:47:39)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:47:49)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:47:59)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:48:07)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:48:17)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:48:27)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:48:36)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:48:45)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:48:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:49:18)
[INFO] Main: Simulation completed successfully. (03:49:28)
|
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
- -3.9
- Maximal score value
- 2.8123
- Average score
- -0.4024
- Total score value
- -331.9989
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 | 0.0609 | |
| 2 | L | A | 0.5527 | |
| 3 | D | A | -1.2729 | |
| 4 | I | A | -0.6653 | |
| 5 | Q | A | -1.5913 | |
| 6 | S | A | -1.3573 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.3181 | |
| 9 | I | A | -1.9169 | |
| 10 | Q | A | -2.2805 | |
| 11 | C | A | -1.2218 | |
| 12 | E | A | -2.0355 | |
| 13 | E | A | -2.9182 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1380 | |
| 16 | D | A | -2.5557 | |
| 17 | A | A | -1.7116 | |
| 18 | R | A | -2.2310 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4183 | |
| 21 | E | A | -2.1808 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.6435 | |
| 24 | P | A | -0.9905 | |
| 25 | L | A | -0.6987 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.3508 | |
| 28 | E | A | -1.7931 | |
| 29 | A | A | -1.0582 | |
| 30 | E | A | -0.7288 | |
| 31 | M | A | 0.0993 | |
| 32 | G | A | 0.0711 | |
| 33 | C | A | 0.6779 | |
| 34 | A | A | 0.6633 | |
| 35 | T | A | 0.3580 | |
| 36 | L | A | 0.3169 | |
| 37 | D | A | -1.6213 | |
| 38 | N | A | -1.6561 | |
| 39 | T | A | -0.9099 | |
| 40 | P | A | -0.8809 | |
| 41 | S | A | -0.8689 | |
| 42 | S | A | -1.0030 | |
| 43 | A | A | -1.0580 | |
| 44 | E | A | -2.1386 | |
| 45 | L | A | -1.1067 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -1.1109 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.8915 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.2576 | |
| 52 | D | A | -2.6317 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -1.9588 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.1600 | |
| 57 | E | A | -1.3311 | |
| 58 | A | A | -0.7415 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.0645 | |
| 62 | D | A | -1.4191 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.1696 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.5190 | |
| 69 | V | A | -1.1089 | |
| 70 | E | A | -1.0620 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -1.8648 | |
| 73 | M | A | -0.6382 | |
| 74 | G | A | -0.1916 | |
| 75 | C | A | -0.2786 | |
| 76 | A | A | -0.3674 | |
| 77 | T | A | -0.3885 | |
| 78 | L | A | -0.5395 | |
| 79 | D | A | -2.1324 | |
| 80 | N | A | -2.0764 | |
| 81 | T | A | -1.3838 | |
| 82 | P | A | -0.9373 | |
| 83 | S | A | -0.6150 | |
| 84 | S | A | -0.8489 | |
| 85 | A | A | -0.8312 | |
| 86 | E | A | -1.1974 | |
| 87 | L | A | -0.5494 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.8531 | |
| 90 | E | A | -0.6316 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.7077 | |
| 95 | S | A | -1.7698 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.3856 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.6395 | |
| 100 | D | A | -0.3010 | |
| 101 | V | A | 0.4363 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.6504 | |
| 105 | C | A | -0.7866 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.5694 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.3049 | |
| 112 | E | A | -2.0136 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | -0.6054 | |
| 115 | M | A | -0.2196 | |
| 116 | G | A | -0.5391 | |
| 117 | C | A | 0.1803 | |
| 118 | A | A | 0.2765 | |
| 119 | T | A | -0.1955 | |
| 120 | L | A | -0.8917 | |
| 121 | D | A | -2.4825 | |
| 122 | N | A | -2.7452 | |
| 123 | T | A | -1.4376 | |
| 124 | P | A | -0.8910 | |
| 125 | S | A | -0.6378 | |
| 126 | S | A | -0.5552 | |
| 127 | A | A | -0.6484 | |
| 128 | E | A | -1.0324 | |
| 129 | L | A | -0.4729 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.8097 | |
| 132 | K | A | -0.8135 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.9947 | |
| 137 | N | A | -1.4747 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.3501 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.4534 | |
| 142 | G | A | 0.1600 | |
| 143 | A | A | 0.2840 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.2136 | |
| 147 | V | A | -0.0269 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.6482 | |
| 150 | S | A | -0.7549 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.9337 | |
| 154 | T | A | -1.3498 | |
| 155 | E | A | -1.0278 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.1247 | |
| 158 | M | A | -0.8235 | |
| 159 | G | A | -0.7686 | |
| 160 | C | A | -0.5889 | |
| 161 | A | A | -0.5766 | |
| 162 | T | A | -0.8407 | |
| 163 | L | A | -1.4568 | |
| 164 | D | A | -2.9320 | |
| 165 | N | A | -2.8557 | |
| 166 | T | A | -1.5203 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -0.5208 | |
| 169 | S | A | -0.5514 | |
| 170 | A | A | -0.5376 | |
| 171 | E | A | -0.7540 | |
| 172 | L | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.8610 | |
| 175 | E | A | -0.9080 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -0.7738 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.5646 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4260 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0865 | |
| 185 | D | A | -0.5055 | |
| 186 | A | A | -0.2649 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.0084 | |
| 190 | L | A | -0.2477 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.9720 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.8144 | |
| 197 | E | A | -1.6412 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.2024 | |
| 201 | G | A | -0.5000 | |
| 202 | C | A | -0.1395 | |
| 203 | A | A | 0.1208 | |
| 204 | T | A | -0.2763 | |
| 205 | L | A | -1.0367 | |
| 206 | D | A | -2.6972 | |
| 207 | N | A | -2.7848 | |
| 208 | T | A | -1.5412 | |
| 209 | P | A | 0.0000 | |
| 210 | S | A | -0.6416 | |
| 211 | S | A | -0.5784 | |
| 212 | A | A | -0.5705 | |
| 213 | E | A | -0.8880 | |
| 214 | L | A | -0.3548 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.8848 | |
| 217 | K | A | -0.7620 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5058 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.3284 | |
| 222 | Y | A | 0.5022 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.1169 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.0000 | |
| 227 | A | A | -1.2038 | |
| 228 | A | A | -0.5535 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -2.0363 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.9497 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.7013 | |
| 239 | A | A | -0.7822 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.9550 | |
| 243 | M | A | -0.5552 | |
| 244 | G | A | -0.4902 | |
| 245 | C | A | -0.6485 | |
| 246 | A | A | -0.5027 | |
| 247 | T | A | -0.8445 | |
| 248 | L | A | -1.6443 | |
| 249 | D | A | -2.9133 | |
| 250 | N | A | -2.6250 | |
| 251 | T | A | -1.4618 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.4970 | |
| 254 | S | A | -0.6215 | |
| 255 | A | A | -0.7344 | |
| 256 | E | A | -1.2049 | |
| 257 | L | A | -0.4676 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.7314 | |
| 260 | E | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -0.7690 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.1676 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.0553 | |
| 270 | E | A | -2.3322 | |
| 271 | A | A | -1.1446 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.9726 | |
| 275 | V | A | -1.4142 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -2.2688 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.9043 | |
| 282 | D | A | -2.3068 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -2.1581 | |
| 286 | M | A | -1.3931 | |
| 287 | G | A | -0.8501 | |
| 288 | C | A | -0.2416 | |
| 289 | A | A | -0.3727 | |
| 290 | T | A | -0.5096 | |
| 291 | L | A | -1.3749 | |
| 292 | D | A | -2.9704 | |
| 293 | N | A | -2.8033 | |
| 294 | T | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.7049 | |
| 297 | S | A | -0.7733 | |
| 298 | A | A | -0.7977 | |
| 299 | E | A | -0.9871 | |
| 300 | L | A | -0.3717 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.5479 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.4443 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.6768 | |
| 308 | S | A | -1.1915 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.6332 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.5913 | |
| 313 | S | A | -1.4754 | |
| 314 | D | A | -2.7181 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -3.0424 | |
| 318 | D | A | -2.4917 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | G | A | -1.0469 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.1241 | |
| 324 | A | A | -0.0803 | |
| 325 | S | A | -0.9956 | |
| 326 | E | A | 0.0000 | |
| 327 | A | A | -0.1121 | |
| 328 | E | A | -1.2262 | |
| 329 | M | A | -0.7829 | |
| 330 | G | A | -0.3019 | |
| 331 | C | A | 0.2811 | |
| 332 | A | A | -0.1875 | |
| 333 | T | A | -0.4435 | |
| 334 | L | A | -1.2803 | |
| 335 | D | A | -2.7467 | |
| 336 | N | A | -2.3664 | |
| 337 | T | A | -0.8275 | |
| 338 | P | A | -0.5891 | |
| 339 | S | A | -0.4325 | |
| 340 | S | A | -0.6404 | |
| 341 | A | A | -0.7980 | |
| 342 | E | A | -1.0873 | |
| 343 | L | A | -0.4348 | |
| 344 | L | A | -0.2356 | |
| 345 | G | A | -0.5371 | |
| 346 | E | A | -0.4511 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2836 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.0838 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9836 | |
| 356 | D | A | -0.4217 | |
| 357 | V | A | 0.7753 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.2738 | |
| 361 | E | A | -1.0982 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.5046 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.6875 | |
| 367 | L | A | 1.1064 | |
| 368 | P | A | 1.5120 | |
| 369 | V | A | 1.9272 | |
| 370 | L | A | 1.6459 | |
| 371 | T | A | 0.9322 | |
| 372 | H | A | -0.1839 | |
| 373 | Q | A | -0.0892 | |
| 374 | I | A | 0.9062 | |
| 375 | M | A | 1.0325 | |
| 376 | Y | A | 1.1905 | |
| 377 | V | A | 0.9455 | |
| 378 | P | A | 0.1830 | |
| 379 | P | A | -0.3922 | |
| 380 | G | A | -0.3769 | |
| 381 | G | A | 0.0470 | |
| 382 | P | A | 0.5942 | |
| 383 | I | A | 1.7225 | |
| 384 | P | A | 0.6262 | |
| 385 | A | A | -0.1782 | |
| 386 | K | A | -1.1045 | |
| 387 | V | A | 0.1942 | |
| 388 | D | A | -1.1319 | |
| 389 | S | A | 0.0000 | |
| 390 | Y | A | 0.5484 | |
| 391 | E | A | 0.6046 | |
| 392 | W | A | 0.9515 | |
| 393 | Q | A | 0.6830 | |
| 394 | T | A | 0.4116 | |
| 395 | S | A | -0.2429 | |
| 396 | T | A | -0.9265 | |
| 397 | N | A | -1.5737 | |
| 398 | P | A | -0.6276 | |
| 399 | S | A | 0.0626 | |
| 400 | V | A | 0.9972 | |
| 401 | F | A | 2.1367 | |
| 402 | W | A | 1.3895 | |
| 403 | T | A | 0.1718 | |
| 404 | E | A | -0.4059 | |
| 405 | T | A | -0.4674 | |
| 406 | L | A | 0.0000 | |
| 407 | W | A | -0.0299 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.6800 | |
| 410 | E | A | -2.4201 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -1.9987 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6796 | |
| 415 | A | A | -1.7917 | |
| 416 | K | A | -2.0223 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | -1.4645 | |
| 420 | D | A | -1.2330 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.1461 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -0.5425 | |
| 426 | R | A | -1.4914 | |
| 427 | A | A | -0.4654 | |
| 428 | P | A | 0.8160 | |
| 429 | V | A | 1.9131 | |
| 430 | L | A | 1.6004 | |
| 431 | T | A | 0.3840 | |
| 432 | H | A | -0.5472 | |
| 433 | Q | A | -0.3792 | |
| 434 | I | A | 0.3738 | |
| 435 | M | A | 0.8551 | |
| 436 | Y | A | 0.7117 | |
| 437 | V | A | 0.5816 | |
| 438 | P | A | -0.0654 | |
| 439 | P | A | -0.5111 | |
| 440 | G | A | -0.4261 | |
| 441 | G | A | -0.1039 | |
| 442 | P | A | 0.5122 | |
| 443 | I | A | 1.6886 | |
| 444 | P | A | 0.0000 | |
| 445 | A | A | -0.1152 | |
| 446 | K | A | -1.0701 | |
| 447 | V | A | 0.0081 | |
| 448 | D | A | -1.4260 | |
| 449 | S | A | -0.3452 | |
| 450 | Y | A | 0.3647 | |
| 451 | E | A | 0.4125 | |
| 452 | W | A | 0.5299 | |
| 453 | Q | A | 0.0000 | |
| 454 | T | A | 0.1810 | |
| 455 | S | A | -0.4295 | |
| 456 | T | A | -0.8030 | |
| 457 | N | A | -1.0973 | |
| 458 | P | A | 0.0000 | |
| 459 | S | A | 0.1751 | |
| 460 | V | A | 1.1645 | |
| 461 | F | A | 1.6202 | |
| 462 | W | A | 1.1215 | |
| 463 | T | A | 0.2679 | |
| 464 | E | A | 0.0000 | |
| 465 | E | A | -0.5413 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.8791 | |
| 470 | G | A | -1.5528 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5580 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.4233 | |
| 475 | D | A | -1.5540 | |
| 476 | E | A | -1.9165 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.6451 | |
| 480 | L | A | -1.5415 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.8516 | |
| 484 | T | A | -1.0540 | |
| 485 | L | A | 0.1047 | |
| 486 | L | A | 0.6684 | |
| 487 | P | A | 1.4602 | |
| 488 | V | A | 1.9860 | |
| 489 | L | A | 2.1395 | |
| 490 | T | A | 0.8423 | |
| 491 | H | A | -0.4984 | |
| 492 | Q | A | -0.3277 | |
| 493 | I | A | 0.4660 | |
| 494 | M | A | 0.8962 | |
| 495 | Y | A | 0.6909 | |
| 496 | V | A | 0.0000 | |
| 497 | P | A | -0.0822 | |
| 498 | P | A | -0.7084 | |
| 499 | G | A | -0.4965 | |
| 500 | G | A | -0.1432 | |
| 501 | P | A | 0.6174 | |
| 502 | I | A | 1.6730 | |
| 503 | P | A | 0.0000 | |
| 504 | A | A | -0.1168 | |
| 505 | K | A | -1.0881 | |
| 506 | V | A | 0.2053 | |
| 507 | D | A | -1.1997 | |
| 508 | S | A | -0.5032 | |
| 509 | Y | A | 0.3471 | |
| 510 | E | A | 0.5421 | |
| 511 | W | A | 0.6171 | |
| 512 | Q | A | 0.0000 | |
| 513 | T | A | 0.3244 | |
| 514 | S | A | 0.0000 | |
| 515 | T | A | -0.4903 | |
| 516 | N | A | -0.7578 | |
| 517 | P | A | -0.3883 | |
| 518 | S | A | 0.2038 | |
| 519 | V | A | 0.9400 | |
| 520 | F | A | 1.3839 | |
| 521 | W | A | 0.0000 | |
| 522 | T | A | -0.0278 | |
| 523 | E | A | -0.4484 | |
| 524 | S | A | -0.4090 | |
| 525 | L | A | 0.0000 | |
| 526 | W | A | 0.1091 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.8950 | |
| 529 | S | A | -1.5571 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.4753 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.0891 | |
| 534 | A | A | -1.0069 | |
| 535 | A | A | -0.7212 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.6891 | |
| 539 | H | A | -1.0346 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.6237 | |
| 542 | S | A | -0.5563 | |
| 543 | V | A | -0.0538 | |
| 544 | L | A | 0.0836 | |
| 545 | A | A | -0.2886 | |
| 546 | Q | A | -0.0271 | |
| 547 | P | A | 0.3587 | |
| 548 | V | A | 1.3253 | |
| 549 | L | A | 1.5879 | |
| 550 | T | A | 0.5105 | |
| 551 | H | A | -0.4239 | |
| 552 | Q | A | -0.3020 | |
| 553 | I | A | 0.4124 | |
| 554 | M | A | 0.7781 | |
| 555 | Y | A | 0.6400 | |
| 556 | V | A | 0.0000 | |
| 557 | P | A | -0.1690 | |
| 558 | P | A | -0.7268 | |
| 559 | G | A | -0.4918 | |
| 560 | G | A | -0.1901 | |
| 561 | P | A | 0.4262 | |
| 562 | I | A | 1.6205 | |
| 563 | P | A | 0.0000 | |
| 564 | A | A | -0.1428 | |
| 565 | K | A | -1.1009 | |
| 566 | V | A | -0.0324 | |
| 567 | D | A | -1.2215 | |
| 568 | S | A | -0.3505 | |
| 569 | Y | A | 0.3009 | |
| 570 | E | A | 0.5126 | |
| 571 | W | A | 0.4941 | |
| 572 | Q | A | 0.2928 | |
| 573 | T | A | 0.0000 | |
| 574 | S | A | 0.0000 | |
| 575 | T | A | -0.4749 | |
| 576 | N | A | -0.6876 | |
| 577 | P | A | -0.3612 | |
| 578 | S | A | 0.2284 | |
| 579 | V | A | 0.9606 | |
| 580 | F | A | 1.2343 | |
| 581 | W | A | 0.6508 | |
| 582 | T | A | -0.0458 | |
| 583 | E | A | -0.5286 | |
| 584 | E | A | -0.4772 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.0959 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -3.0920 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.6572 | |
| 594 | D | A | -1.7601 | |
| 595 | A | A | -0.8204 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -1.5163 | |
| 599 | E | A | -1.3161 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | -0.8786 | |
| 602 | Q | A | -1.5224 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.3068 | |
| 605 | G | A | -0.4050 | |
| 606 | P | A | 0.3212 | |
| 607 | V | A | 0.6557 | |
| 608 | L | A | 0.9057 | |
| 609 | T | A | 0.2450 | |
| 610 | H | A | -0.6322 | |
| 611 | Q | A | -0.3728 | |
| 612 | I | A | 0.3647 | |
| 613 | M | A | 0.8089 | |
| 614 | Y | A | 0.6870 | |
| 615 | V | A | 0.5160 | |
| 616 | P | A | -0.0335 | |
| 617 | P | A | -0.6965 | |
| 618 | G | A | -0.4719 | |
| 619 | G | A | -0.0932 | |
| 620 | P | A | 0.5594 | |
| 621 | I | A | 1.6783 | |
| 622 | P | A | 0.0000 | |
| 623 | A | A | -0.1339 | |
| 624 | K | A | -1.1003 | |
| 625 | V | A | -0.0320 | |
| 626 | D | A | -1.1361 | |
| 627 | S | A | -0.3262 | |
| 628 | Y | A | 0.3780 | |
| 629 | E | A | 0.5483 | |
| 630 | W | A | 0.5984 | |
| 631 | Q | A | 0.0000 | |
| 632 | T | A | 0.0000 | |
| 633 | S | A | 0.0000 | |
| 634 | T | A | -0.4541 | |
| 635 | N | A | -0.6764 | |
| 636 | P | A | -0.3731 | |
| 637 | S | A | 0.2254 | |
| 638 | V | A | 0.8402 | |
| 639 | F | A | 1.2744 | |
| 640 | W | A | 0.0000 | |
| 641 | T | A | -0.0070 | |
| 642 | E | A | -0.3996 | |
| 643 | V | A | -0.1801 | |
| 644 | L | A | 0.0620 | |
| 645 | W | A | -0.0619 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -1.4467 | |
| 648 | D | A | -2.9529 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -3.2084 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.8086 | |
| 653 | D | A | -0.7885 | |
| 654 | S | A | -0.8055 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.5166 | |
| 658 | S | A | -0.5893 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.1979 | |
| 662 | T | A | 0.1423 | |
| 663 | L | A | 0.0000 | |
| 664 | L | A | 0.8535 | |
| 665 | A | A | 0.7024 | |
| 666 | P | A | 0.7432 | |
| 667 | V | A | 0.7623 | |
| 668 | L | A | 0.5016 | |
| 669 | T | A | -0.1411 | |
| 670 | H | A | -0.7801 | |
| 671 | Q | A | -0.4033 | |
| 672 | I | A | 0.0606 | |
| 673 | M | A | 0.5229 | |
| 674 | Y | A | 0.6060 | |
| 675 | V | A | 0.0000 | |
| 676 | P | A | -0.1099 | |
| 677 | P | A | -0.6858 | |
| 678 | G | A | -0.4671 | |
| 679 | G | A | -0.1269 | |
| 680 | P | A | 0.5135 | |
| 681 | I | A | 1.6655 | |
| 682 | P | A | 0.0000 | |
| 683 | A | A | -0.1458 | |
| 684 | K | A | -1.1104 | |
| 685 | V | A | -0.0413 | |
| 686 | D | A | -1.3300 | |
| 687 | S | A | -0.5661 | |
| 688 | Y | A | 0.3712 | |
| 689 | E | A | 0.3960 | |
| 690 | W | A | 0.4956 | |
| 691 | Q | A | 0.2709 | |
| 692 | T | A | 0.0000 | |
| 693 | S | A | 0.0000 | |
| 694 | T | A | -0.4391 | |
| 695 | N | A | -0.6466 | |
| 696 | P | A | -0.3418 | |
| 697 | S | A | 0.2598 | |
| 698 | V | A | 1.0019 | |
| 699 | F | A | 1.4757 | |
| 700 | W | A | 0.0000 | |
| 701 | T | A | 0.1519 | |
| 702 | E | A | 0.0000 | |
| 703 | E | A | -0.5792 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | -0.2528 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | N | A | -1.9677 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | -0.3785 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.1464 | |
| 713 | D | A | -1.2626 | |
| 714 | A | A | -0.5709 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.6333 | |
| 718 | Q | A | -0.8938 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -1.5747 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | 0.0000 | |
| 724 | R | A | -1.7258 | |
| 725 | P | A | -0.0888 | |
| 726 | V | A | 0.7869 | |
| 727 | L | A | 0.9705 | |
| 728 | T | A | 0.3967 | |
| 729 | H | A | -0.4504 | |
| 730 | Q | A | -0.1278 | |
| 731 | I | A | 0.5798 | |
| 732 | M | A | 0.9195 | |
| 733 | Y | A | 0.6433 | |
| 734 | V | A | 0.0000 | |
| 735 | P | A | -0.1401 | |
| 736 | P | A | -0.7419 | |
| 737 | G | A | -0.4629 | |
| 738 | G | A | -0.1439 | |
| 739 | P | A | 0.5413 | |
| 740 | I | A | 1.6554 | |
| 741 | P | A | 0.0000 | |
| 742 | A | A | -0.1362 | |
| 743 | K | A | -1.0976 | |
| 744 | V | A | 0.1937 | |
| 745 | D | A | -1.3290 | |
| 746 | S | A | -0.4835 | |
| 747 | Y | A | 0.6058 | |
| 748 | E | A | 0.5190 | |
| 749 | W | A | 0.6764 | |
| 750 | Q | A | 0.0000 | |
| 751 | T | A | 0.3539 | |
| 752 | S | A | 0.0000 | |
| 753 | T | A | -0.5887 | |
| 754 | N | A | -0.9568 | |
| 755 | P | A | -0.4947 | |
| 756 | S | A | 0.4424 | |
| 757 | V | A | 1.5077 | |
| 758 | F | A | 2.0274 | |
| 759 | W | A | 0.0000 | |
| 760 | T | A | -0.0325 | |
| 761 | E | A | 0.0000 | |
| 762 | Q | A | -1.2494 | |
| 763 | L | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | -0.0374 | |
| 767 | D | A | -1.4569 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.6505 | |
| 770 | W | A | -0.5154 | |
| 771 | S | A | -1.8992 | |
| 772 | E | A | -3.4824 | |
| 773 | E | A | -3.9000 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.2504 | |
| 776 | D | A | -3.8283 | |
| 777 | R | A | -3.0846 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -2.6295 | |
| 780 | A | A | -2.2984 | |
| 781 | L | A | -2.2772 | |
| 782 | E | A | -3.4835 | |
| 783 | K | A | -3.2548 | |
| 784 | D | A | -2.7044 | |
| 785 | P | A | -1.1879 | |
| 786 | V | A | -0.2430 | |
| 787 | L | A | 1.0654 | |
| 788 | T | A | 0.8685 | |
| 789 | H | A | -0.4972 | |
| 790 | Q | A | -0.4753 | |
| 791 | I | A | 0.2212 | |
| 792 | M | A | 0.5666 | |
| 793 | Y | A | 0.4780 | |
| 794 | V | A | 0.0000 | |
| 795 | P | A | -0.2530 | |
| 796 | P | A | -0.7389 | |
| 797 | G | A | -0.4883 | |
| 798 | G | A | -0.2161 | |
| 799 | P | A | 0.5759 | |
| 800 | I | A | 1.5925 | |
| 801 | P | A | 0.0000 | |
| 802 | A | A | -0.0524 | |
| 803 | K | A | -1.0167 | |
| 804 | V | A | 0.3430 | |
| 805 | D | A | -1.2069 | |
| 806 | S | A | -0.2127 | |
| 807 | Y | A | 0.6213 | |
| 808 | E | A | 0.2954 | |
| 809 | W | A | 0.3414 | |
| 810 | Q | A | -0.3848 | |
| 811 | T | A | -0.4475 | |
| 812 | S | A | -0.5578 | |
| 813 | T | A | -0.9432 | |
| 814 | N | A | -1.4300 | |
| 815 | P | A | -0.6298 | |
| 816 | S | A | 0.4317 | |
| 817 | V | A | 1.6354 | |
| 818 | F | A | 2.8123 | |
| 819 | W | A | 1.7775 | |
| 820 | T | A | -0.2254 | |
| 821 | E | A | -2.2591 | |
| 822 | R | A | -2.5388 | |
| 823 | V | A | -0.9966 | |
| 824 | I | A | -0.1001 | |
| 825 | S | A | -0.2387 |
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, -0.4024 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 |
|||
| input | -0.4024 | View | CSV | PDB |
| model_6 | -0.4617 | View | CSV | PDB |
| model_10 | -0.4631 | View | CSV | PDB |
| model_7 | -0.4646 | View | CSV | PDB |
| model_0 | -0.4758 | View | CSV | PDB |
| model_3 | -0.4837 | View | CSV | PDB |
| model_8 | -0.4857 | View | CSV | PDB |
| CABS_average | -0.4946 | View | CSV | PDB |
| model_11 | -0.4994 | View | CSV | PDB |
| model_9 | -0.4999 | View | CSV | PDB |
| model_2 | -0.5072 | View | CSV | PDB |
| model_1 | -0.5147 | View | CSV | PDB |
| model_5 | -0.535 | View | CSV | PDB |
| model_4 | -0.5439 | 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