Project name: C22_B3_EF_E18_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:41:14
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLLEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:10:53)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:45:00)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:45:06)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:45:13)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:45:20)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:45:27)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:45:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:45:41)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:45:48)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:45:55)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:46:02)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:46:09)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:46:15)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:46:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:46:37)
[INFO] Main: Simulation completed successfully. (02:46:44)
|
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
- -3.807
- Maximal score value
- 2.7932
- Average score
- -0.3934
- Total score value
- -324.5345
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 | -1.0592 | |
| 44 | E | A | -2.1402 | |
| 45 | L | A | -1.1093 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -1.1118 | |
| 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 | -1.1572 | |
| 57 | E | A | -1.3204 | |
| 58 | A | A | -0.7317 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.0163 | |
| 62 | D | A | -1.3987 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.1599 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.4297 | |
| 69 | V | A | -1.1130 | |
| 70 | E | A | -1.0625 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -1.8434 | |
| 73 | M | A | -0.6371 | |
| 74 | G | A | -0.1915 | |
| 75 | C | A | -0.2741 | |
| 76 | A | A | -0.3662 | |
| 77 | T | A | -0.3878 | |
| 78 | L | A | -0.5372 | |
| 79 | D | A | -2.1305 | |
| 80 | N | A | -2.0749 | |
| 81 | T | A | -1.3813 | |
| 82 | P | A | -0.9373 | |
| 83 | S | A | -0.6150 | |
| 84 | S | A | -0.8498 | |
| 85 | A | A | -0.8313 | |
| 86 | E | A | -1.1976 | |
| 87 | L | A | -0.5262 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.8525 | |
| 90 | E | A | -0.6326 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.7062 | |
| 95 | S | A | -1.7678 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.3824 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.6333 | |
| 100 | D | A | -0.2937 | |
| 101 | V | A | 0.4456 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.5855 | |
| 105 | C | A | -0.7426 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.3630 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | L | A | -0.7192 | |
| 112 | E | A | -1.7436 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | 0.0327 | |
| 116 | G | A | -0.4098 | |
| 117 | C | A | 0.2479 | |
| 118 | A | A | 0.3382 | |
| 119 | T | A | -0.1842 | |
| 120 | L | A | -0.8743 | |
| 121 | D | A | -2.4718 | |
| 122 | N | A | -2.7362 | |
| 123 | T | A | -1.4281 | |
| 124 | P | A | -0.8894 | |
| 125 | S | A | -0.6379 | |
| 126 | S | A | -0.5537 | |
| 127 | A | A | -0.6220 | |
| 128 | E | A | -0.9868 | |
| 129 | L | A | -0.3483 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.7701 | |
| 132 | K | A | -0.7877 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.9911 | |
| 137 | N | A | -1.4700 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.3389 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.4420 | |
| 142 | G | A | 0.1478 | |
| 143 | A | A | 0.2793 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.1847 | |
| 147 | V | A | 0.0194 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.6057 | |
| 150 | S | A | -0.6442 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.8655 | |
| 154 | T | A | -1.1231 | |
| 155 | E | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.0572 | |
| 158 | M | A | -0.6368 | |
| 159 | G | A | -0.6409 | |
| 160 | C | A | -0.5298 | |
| 161 | A | A | -0.5509 | |
| 162 | T | A | -0.8160 | |
| 163 | L | A | -1.4122 | |
| 164 | D | A | -2.9109 | |
| 165 | N | A | -2.8431 | |
| 166 | T | A | -1.5032 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -0.5208 | |
| 169 | S | A | -0.5549 | |
| 170 | A | A | -0.5239 | |
| 171 | E | A | -0.7085 | |
| 172 | L | A | -0.3669 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.8181 | |
| 175 | E | A | -0.8680 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -0.7710 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.5590 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4240 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0796 | |
| 185 | D | A | -0.5009 | |
| 186 | A | A | -0.2581 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -0.9541 | |
| 190 | L | A | -0.1443 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.8517 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.8154 | |
| 197 | E | A | -1.6683 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.1575 | |
| 201 | G | A | -0.4881 | |
| 202 | C | A | -0.1379 | |
| 203 | A | A | 0.1225 | |
| 204 | T | A | -0.2582 | |
| 205 | L | A | -0.9885 | |
| 206 | D | A | -2.6774 | |
| 207 | N | A | -2.7686 | |
| 208 | T | A | -1.5296 | |
| 209 | P | A | 0.0000 | |
| 210 | S | A | -0.6491 | |
| 211 | S | A | -0.5703 | |
| 212 | A | A | -0.5627 | |
| 213 | E | A | -0.8864 | |
| 214 | L | A | -0.3334 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.7824 | |
| 217 | K | A | -0.7369 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5005 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.3276 | |
| 222 | Y | A | 0.5014 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.1177 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.0000 | |
| 227 | A | A | -1.0430 | |
| 228 | A | A | -0.5451 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.9197 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.9116 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.6342 | |
| 239 | A | A | -0.7868 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.9462 | |
| 243 | M | A | -0.5905 | |
| 244 | G | A | -0.4869 | |
| 245 | C | A | -0.6599 | |
| 246 | A | A | -0.5148 | |
| 247 | T | A | -0.8499 | |
| 248 | L | A | -1.6565 | |
| 249 | D | A | -2.9171 | |
| 250 | N | A | -2.6258 | |
| 251 | T | A | -1.4696 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.5043 | |
| 254 | S | A | -0.6017 | |
| 255 | A | A | -0.6527 | |
| 256 | E | A | -0.9887 | |
| 257 | L | A | -0.4227 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.6623 | |
| 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 | -0.7742 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.1467 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -1.8248 | |
| 270 | E | A | -1.6214 | |
| 271 | A | A | -0.6994 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -1.7010 | |
| 275 | V | A | -0.8151 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.8866 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.6762 | |
| 282 | D | A | -2.0995 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -2.0563 | |
| 286 | M | A | -1.3030 | |
| 287 | G | A | -0.8221 | |
| 288 | C | A | -0.2258 | |
| 289 | A | A | -0.3532 | |
| 290 | T | A | -0.5036 | |
| 291 | L | A | -1.3761 | |
| 292 | D | A | -2.9694 | |
| 293 | N | A | -2.7950 | |
| 294 | T | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.6928 | |
| 297 | S | A | -0.7124 | |
| 298 | A | A | -0.7362 | |
| 299 | E | A | -0.9267 | |
| 300 | L | A | -0.2814 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.5638 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.4527 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.6723 | |
| 308 | S | A | -1.1942 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.5843 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.0900 | |
| 313 | S | A | -0.7803 | |
| 314 | D | A | -1.1874 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.3260 | |
| 318 | D | A | -1.7757 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -0.7249 | |
| 321 | G | A | -0.9953 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.1779 | |
| 324 | A | A | -0.0817 | |
| 325 | S | A | -0.9731 | |
| 326 | E | A | 0.0000 | |
| 327 | A | A | -0.2385 | |
| 328 | E | A | -1.3372 | |
| 329 | M | A | -0.8294 | |
| 330 | G | A | -0.4359 | |
| 331 | C | A | 0.1321 | |
| 332 | A | A | -0.2037 | |
| 333 | T | A | -0.4427 | |
| 334 | L | A | -1.2635 | |
| 335 | D | A | -2.7341 | |
| 336 | N | A | -2.3995 | |
| 337 | T | A | -0.8932 | |
| 338 | P | A | -0.6307 | |
| 339 | S | A | -0.5033 | |
| 340 | S | A | -0.7023 | |
| 341 | A | A | -0.8185 | |
| 342 | E | A | -1.1321 | |
| 343 | L | A | -0.4145 | |
| 344 | L | A | -0.2166 | |
| 345 | G | A | -0.5487 | |
| 346 | E | A | -0.4614 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2951 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.0918 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9836 | |
| 356 | D | A | -0.4113 | |
| 357 | V | A | 0.9597 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.2640 | |
| 361 | E | A | -0.8351 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.4634 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.7280 | |
| 367 | L | A | 1.0667 | |
| 368 | P | A | 1.2850 | |
| 369 | V | A | 1.5151 | |
| 370 | L | A | 0.8930 | |
| 371 | T | A | 0.4799 | |
| 372 | H | A | -0.5796 | |
| 373 | Q | A | -0.4944 | |
| 374 | I | A | 0.4797 | |
| 375 | M | A | 0.8213 | |
| 376 | Y | A | 1.1026 | |
| 377 | V | A | 0.9617 | |
| 378 | P | A | 0.1904 | |
| 379 | P | A | -0.3935 | |
| 380 | G | A | -0.3793 | |
| 381 | G | A | 0.0510 | |
| 382 | P | A | 0.5893 | |
| 383 | I | A | 1.7286 | |
| 384 | P | A | 0.6065 | |
| 385 | A | A | -0.1943 | |
| 386 | K | A | -1.1276 | |
| 387 | V | A | 0.1721 | |
| 388 | D | A | -1.1732 | |
| 389 | S | A | -0.3287 | |
| 390 | Y | A | 0.4118 | |
| 391 | E | A | 0.5784 | |
| 392 | W | A | 0.8732 | |
| 393 | Q | A | 0.6129 | |
| 394 | T | A | 0.0000 | |
| 395 | S | A | -0.2765 | |
| 396 | T | A | -0.8655 | |
| 397 | N | A | -1.4420 | |
| 398 | P | A | -0.5995 | |
| 399 | S | A | 0.0887 | |
| 400 | V | A | 1.0234 | |
| 401 | F | A | 2.1215 | |
| 402 | W | A | 1.3172 | |
| 403 | T | A | 0.1433 | |
| 404 | E | A | -0.4078 | |
| 405 | T | A | -0.4628 | |
| 406 | L | A | 0.0000 | |
| 407 | W | A | -0.0477 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.7015 | |
| 410 | E | A | -2.4677 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -2.0109 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6762 | |
| 415 | A | A | -1.7866 | |
| 416 | K | A | -2.0181 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | -1.4605 | |
| 420 | D | A | -1.2332 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.1416 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -0.5587 | |
| 426 | R | A | -1.5199 | |
| 427 | A | A | -0.5293 | |
| 428 | P | A | 0.6195 | |
| 429 | V | A | 1.5224 | |
| 430 | L | A | 1.1923 | |
| 431 | T | A | 0.0969 | |
| 432 | H | A | -0.7705 | |
| 433 | Q | A | -0.5053 | |
| 434 | I | A | 0.2566 | |
| 435 | M | A | 0.8136 | |
| 436 | Y | A | 0.6789 | |
| 437 | V | A | 0.5585 | |
| 438 | P | A | -0.0621 | |
| 439 | P | A | -0.5168 | |
| 440 | G | A | -0.4345 | |
| 441 | G | A | -0.1225 | |
| 442 | P | A | 0.5012 | |
| 443 | I | A | 1.6632 | |
| 444 | P | A | 0.0000 | |
| 445 | A | A | -0.1357 | |
| 446 | K | A | -1.0896 | |
| 447 | V | A | -0.0177 | |
| 448 | D | A | -1.4270 | |
| 449 | S | A | -0.3475 | |
| 450 | Y | A | 0.3602 | |
| 451 | E | A | 0.4048 | |
| 452 | W | A | 0.5024 | |
| 453 | Q | A | 0.0000 | |
| 454 | T | A | 0.1767 | |
| 455 | S | A | -0.4127 | |
| 456 | T | A | -0.7765 | |
| 457 | N | A | -1.0866 | |
| 458 | P | A | 0.0000 | |
| 459 | S | A | 0.2008 | |
| 460 | V | A | 1.1290 | |
| 461 | F | A | 1.5547 | |
| 462 | W | A | 0.0000 | |
| 463 | T | A | 0.2585 | |
| 464 | E | A | 0.0000 | |
| 465 | E | A | -0.4882 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.9325 | |
| 470 | G | A | -1.6126 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5636 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.4211 | |
| 475 | D | A | -1.5528 | |
| 476 | E | A | -1.9071 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.6345 | |
| 480 | L | A | -1.5367 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.8524 | |
| 484 | T | A | -1.0566 | |
| 485 | L | A | 0.1166 | |
| 486 | L | A | 0.6660 | |
| 487 | P | A | 1.4504 | |
| 488 | V | A | 1.9745 | |
| 489 | L | A | 2.1263 | |
| 490 | T | A | 0.8284 | |
| 491 | H | A | -0.5101 | |
| 492 | Q | A | -0.3354 | |
| 493 | I | A | 0.4592 | |
| 494 | M | A | 0.9052 | |
| 495 | Y | A | 0.6876 | |
| 496 | V | A | 0.0000 | |
| 497 | P | A | -0.0893 | |
| 498 | P | A | -0.7156 | |
| 499 | G | A | -0.5028 | |
| 500 | G | A | -0.1535 | |
| 501 | P | A | 0.6014 | |
| 502 | I | A | 1.6617 | |
| 503 | P | A | 0.0000 | |
| 504 | A | A | -0.1161 | |
| 505 | K | A | -1.0843 | |
| 506 | V | A | 0.2096 | |
| 507 | D | A | -1.1919 | |
| 508 | S | A | -0.4809 | |
| 509 | Y | A | 0.3981 | |
| 510 | E | A | 0.5588 | |
| 511 | W | A | 0.6396 | |
| 512 | Q | A | 0.0000 | |
| 513 | T | A | 0.3353 | |
| 514 | S | A | 0.0000 | |
| 515 | T | A | -0.4993 | |
| 516 | N | A | -0.7568 | |
| 517 | P | A | -0.4095 | |
| 518 | S | A | 0.1671 | |
| 519 | V | A | 0.8628 | |
| 520 | F | A | 1.2821 | |
| 521 | W | A | 0.0000 | |
| 522 | T | A | 0.0156 | |
| 523 | E | A | 0.0000 | |
| 524 | S | A | -0.2953 | |
| 525 | L | A | 0.0000 | |
| 526 | W | A | 0.1182 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.9775 | |
| 529 | S | A | -1.6404 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.5255 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.1569 | |
| 534 | A | A | -1.0927 | |
| 535 | A | A | -0.7552 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.6982 | |
| 539 | H | A | -1.0451 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.6382 | |
| 542 | S | A | -0.5715 | |
| 543 | V | A | -0.1018 | |
| 544 | L | A | 0.0391 | |
| 545 | A | A | -0.3185 | |
| 546 | Q | A | -0.0685 | |
| 547 | P | A | 0.3018 | |
| 548 | V | A | 1.2573 | |
| 549 | L | A | 1.5685 | |
| 550 | T | A | 0.4947 | |
| 551 | H | A | -0.4294 | |
| 552 | Q | A | -0.2984 | |
| 553 | I | A | 0.4303 | |
| 554 | M | A | 0.8589 | |
| 555 | Y | A | 0.7574 | |
| 556 | V | A | 0.0000 | |
| 557 | P | A | -0.1147 | |
| 558 | P | A | -0.7146 | |
| 559 | G | A | -0.4788 | |
| 560 | G | A | -0.1559 | |
| 561 | P | A | 0.4867 | |
| 562 | I | A | 1.6651 | |
| 563 | P | A | 0.0000 | |
| 564 | A | A | -0.1253 | |
| 565 | K | A | -1.0899 | |
| 566 | V | A | -0.0209 | |
| 567 | D | A | -1.2142 | |
| 568 | S | A | -0.3166 | |
| 569 | Y | A | 0.3152 | |
| 570 | E | A | 0.5651 | |
| 571 | W | A | 0.5765 | |
| 572 | Q | A | 0.0000 | |
| 573 | T | A | 0.0000 | |
| 574 | S | A | 0.0000 | |
| 575 | T | A | -0.4661 | |
| 576 | N | A | -0.7032 | |
| 577 | P | A | -0.3930 | |
| 578 | S | A | 0.1834 | |
| 579 | V | A | 0.8497 | |
| 580 | F | A | 1.1222 | |
| 581 | W | A | 0.0000 | |
| 582 | T | A | -0.0428 | |
| 583 | E | A | -0.4598 | |
| 584 | E | A | -0.4113 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.2052 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -2.9963 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.6354 | |
| 594 | D | A | -1.7502 | |
| 595 | A | A | -0.9151 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -1.5566 | |
| 599 | E | A | -1.3112 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | -0.8674 | |
| 602 | Q | A | -1.5156 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.2796 | |
| 605 | G | A | -0.4098 | |
| 606 | P | A | 0.3185 | |
| 607 | V | A | 0.6378 | |
| 608 | L | A | 0.8757 | |
| 609 | T | A | 0.2151 | |
| 610 | H | A | -0.6560 | |
| 611 | Q | A | -0.4169 | |
| 612 | I | A | 0.3713 | |
| 613 | M | A | 0.8026 | |
| 614 | Y | A | 0.6797 | |
| 615 | V | A | 0.0000 | |
| 616 | P | A | -0.0895 | |
| 617 | P | A | -0.7118 | |
| 618 | G | A | -0.4982 | |
| 619 | G | A | -0.1467 | |
| 620 | P | A | 0.5196 | |
| 621 | I | A | 1.6479 | |
| 622 | P | A | 0.0000 | |
| 623 | A | A | -0.1319 | |
| 624 | K | A | -1.0983 | |
| 625 | V | A | -0.0300 | |
| 626 | D | A | -1.1351 | |
| 627 | S | A | -0.3247 | |
| 628 | Y | A | 0.4043 | |
| 629 | E | A | 0.5175 | |
| 630 | W | A | 0.5576 | |
| 631 | Q | A | 0.0000 | |
| 632 | T | A | 0.2449 | |
| 633 | S | A | 0.0000 | |
| 634 | T | A | -0.4387 | |
| 635 | N | A | -0.6655 | |
| 636 | P | A | -0.4079 | |
| 637 | S | A | 0.1940 | |
| 638 | V | A | 0.7662 | |
| 639 | F | A | 1.1981 | |
| 640 | W | A | 0.0000 | |
| 641 | T | A | -0.1113 | |
| 642 | E | A | -0.5080 | |
| 643 | V | A | -0.2626 | |
| 644 | L | A | 0.0146 | |
| 645 | W | A | -0.0920 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -1.3364 | |
| 648 | D | A | -2.6687 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -2.5620 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.6906 | |
| 653 | D | A | -0.7868 | |
| 654 | S | A | -0.8377 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.5217 | |
| 658 | S | A | -0.5887 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.2005 | |
| 662 | T | A | 0.1560 | |
| 663 | L | A | 0.0000 | |
| 664 | L | A | 0.9159 | |
| 665 | A | A | 0.6896 | |
| 666 | P | A | 0.7073 | |
| 667 | V | A | 0.7378 | |
| 668 | L | A | 0.5184 | |
| 669 | T | A | -0.1438 | |
| 670 | H | A | -0.7656 | |
| 671 | Q | A | -0.4378 | |
| 672 | I | A | 0.0557 | |
| 673 | M | A | 0.5834 | |
| 674 | Y | A | 0.6635 | |
| 675 | V | A | 0.0000 | |
| 676 | P | A | -0.0706 | |
| 677 | P | A | -0.6817 | |
| 678 | G | A | -0.4636 | |
| 679 | G | A | -0.0928 | |
| 680 | P | A | 0.5372 | |
| 681 | I | A | 1.6845 | |
| 682 | P | A | 0.0000 | |
| 683 | A | A | -0.1420 | |
| 684 | K | A | -1.1102 | |
| 685 | V | A | -0.0429 | |
| 686 | D | A | -1.3208 | |
| 687 | S | A | -0.5489 | |
| 688 | Y | A | 0.4104 | |
| 689 | E | A | 0.4703 | |
| 690 | W | A | 0.6112 | |
| 691 | Q | A | 0.0000 | |
| 692 | T | A | 0.3338 | |
| 693 | S | A | 0.0000 | |
| 694 | T | A | -0.3969 | |
| 695 | N | A | -0.6092 | |
| 696 | P | A | -0.3352 | |
| 697 | S | A | 0.2538 | |
| 698 | V | A | 1.0109 | |
| 699 | F | A | 1.4936 | |
| 700 | W | A | 0.0000 | |
| 701 | T | A | -0.0178 | |
| 702 | E | A | -0.5243 | |
| 703 | E | A | -0.7240 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | -0.2610 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | -0.9698 | |
| 708 | N | A | -1.9061 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | -0.2113 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.1236 | |
| 713 | D | A | -1.2155 | |
| 714 | A | A | -0.5573 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.5116 | |
| 718 | Q | A | -0.7572 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -1.1497 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | -0.9078 | |
| 724 | R | A | -1.4965 | |
| 725 | P | A | -0.0296 | |
| 726 | V | A | 0.6571 | |
| 727 | L | A | 0.8867 | |
| 728 | T | A | 0.3941 | |
| 729 | H | A | -0.4569 | |
| 730 | Q | A | -0.1054 | |
| 731 | I | A | 0.7008 | |
| 732 | M | A | 1.0183 | |
| 733 | Y | A | 0.7603 | |
| 734 | V | A | 0.0000 | |
| 735 | P | A | -0.1058 | |
| 736 | P | A | -0.7194 | |
| 737 | G | A | -0.4765 | |
| 738 | G | A | -0.1662 | |
| 739 | P | A | 0.5194 | |
| 740 | I | A | 1.6497 | |
| 741 | P | A | 0.0000 | |
| 742 | A | A | -0.1416 | |
| 743 | K | A | -1.1019 | |
| 744 | V | A | 0.1870 | |
| 745 | D | A | -1.3232 | |
| 746 | S | A | -0.4814 | |
| 747 | Y | A | 0.6116 | |
| 748 | E | A | 0.5146 | |
| 749 | W | A | 0.7045 | |
| 750 | Q | A | 0.0000 | |
| 751 | T | A | 0.4222 | |
| 752 | S | A | 0.0000 | |
| 753 | T | A | -0.5762 | |
| 754 | N | A | -0.9400 | |
| 755 | P | A | -0.4263 | |
| 756 | S | A | 0.5531 | |
| 757 | V | A | 1.5757 | |
| 758 | F | A | 2.0196 | |
| 759 | W | A | 0.0000 | |
| 760 | T | A | -0.1712 | |
| 761 | E | A | 0.0000 | |
| 762 | Q | A | -1.2594 | |
| 763 | L | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | -0.0444 | |
| 767 | D | A | -1.4576 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.6479 | |
| 770 | W | A | -0.5006 | |
| 771 | S | A | -1.8540 | |
| 772 | E | A | -3.4318 | |
| 773 | E | A | -3.8070 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.1628 | |
| 776 | D | A | -3.6926 | |
| 777 | R | A | -2.7645 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -2.6128 | |
| 780 | A | A | -2.2207 | |
| 781 | L | A | -2.1422 | |
| 782 | E | A | -3.4165 | |
| 783 | K | A | -3.2483 | |
| 784 | D | A | -2.6502 | |
| 785 | P | A | -1.0830 | |
| 786 | V | A | -0.0136 | |
| 787 | L | A | 1.1453 | |
| 788 | T | A | 0.9076 | |
| 789 | H | A | -0.4387 | |
| 790 | Q | A | -0.4305 | |
| 791 | I | A | 0.2731 | |
| 792 | M | A | 0.6179 | |
| 793 | Y | A | 0.4993 | |
| 794 | V | A | 0.0000 | |
| 795 | P | A | -0.2552 | |
| 796 | P | A | -0.7473 | |
| 797 | G | A | -0.4926 | |
| 798 | G | A | -0.2173 | |
| 799 | P | A | 0.5763 | |
| 800 | I | A | 1.5917 | |
| 801 | P | A | 0.0000 | |
| 802 | A | A | -0.0525 | |
| 803 | K | A | -1.0159 | |
| 804 | V | A | 0.3468 | |
| 805 | D | A | -1.2057 | |
| 806 | S | A | -0.2118 | |
| 807 | Y | A | 0.6192 | |
| 808 | E | A | 0.2952 | |
| 809 | W | A | 0.3458 | |
| 810 | Q | A | -0.3806 | |
| 811 | T | A | -0.4272 | |
| 812 | S | A | 0.0000 | |
| 813 | T | A | -0.9370 | |
| 814 | N | A | -1.3858 | |
| 815 | P | A | -0.5356 | |
| 816 | S | A | 0.6213 | |
| 817 | V | A | 1.9182 | |
| 818 | F | A | 2.7932 | |
| 819 | W | A | 1.5348 | |
| 820 | T | A | -0.3148 | |
| 821 | E | A | -2.1260 | |
| 822 | R | A | -2.4712 | |
| 823 | V | A | -0.9640 | |
| 824 | I | A | -0.0922 | |
| 825 | S | A | -0.2367 |
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, -0.3934 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 | -0.3934 | View | CSV | PDB |
| model_7 | -0.4768 | View | CSV | PDB |
| model_5 | -0.4916 | View | CSV | PDB |
| model_1 | -0.4925 | View | CSV | PDB |
| model_11 | -0.4974 | View | CSV | PDB |
| model_6 | -0.5093 | View | CSV | PDB |
| model_0 | -0.513 | View | CSV | PDB |
| model_8 | -0.5135 | View | CSV | PDB |
| CABS_average | -0.5158 | View | CSV | PDB |
| model_10 | -0.5234 | View | CSV | PDB |
| model_2 | -0.5268 | View | CSV | PDB |
| model_3 | -0.5422 | View | CSV | PDB |
| model_4 | -0.5501 | View | CSV | PDB |
| model_9 | -0.5531 | 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