Project name: C23_B3_EF_E30_EF_GSG
Status: done
Started: 2026-07-21 11:06:15
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGEAEMGCATLDNTPSSAELLGGSGVRLDDCGLTEARCKDISSALRVGSGEAEMGCATLDNTPSSAELLGGSGELNLRSNELGDVGVHCVLQGLQGSGEAEMGCATLDNTPSSAELLGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGEAEMGCATLDNTPSSAELLGGSGELHLSDNLLGDAGLQLLCEGLLGSGEAEMGCATLDNTPSSAELLGGSGKLQLEYCSLSAASCEPLASVLRAGSGEAEMGCATLDNTPSSAELLGGSGELTVSNNDINEAGVRVLCQGLKDGSGEAEMGCATLDNTPSSAELLGGSGALKLESCGVTSDNCRDLCGIVASGSGEAEMGCATLDNTPSSAELLGGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGRVIS
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 (00:10:48)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:11:12)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:11:19)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:11:27)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:11:34)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:11:42)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:11:49)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:11:57)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:12:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:12:12)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:12:20)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:12:27)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:12:35)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:12:42)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:13:00)
[INFO] Main: Simulation completed successfully. (03:13:07)
|
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
- -4.6765
- Maximal score value
- 2.0907
- Average score
- -0.4903
- Total score value
- -451.5493
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 | 0.3623 | |
| 2 | L | A | 1.5965 | |
| 3 | D | A | 1.4286 | |
| 4 | I | A | 2.0907 | |
| 5 | Q | A | 0.6947 | |
| 6 | S | A | -0.1488 | |
| 7 | L | A | -0.7603 | |
| 8 | D | A | -1.9654 | |
| 9 | I | A | -1.2735 | |
| 10 | Q | A | -1.4552 | |
| 11 | C | A | -0.1987 | |
| 12 | E | A | 0.0000 | |
| 13 | E | A | -1.9135 | |
| 14 | L | A | -1.1051 | |
| 15 | S | A | -1.8760 | |
| 16 | D | A | -2.5407 | |
| 17 | A | A | -1.9424 | |
| 18 | R | A | -2.7068 | |
| 19 | W | A | -1.7470 | |
| 20 | A | A | -1.7119 | |
| 21 | E | A | -2.3858 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5987 | |
| 24 | P | A | -0.4363 | |
| 25 | L | A | 0.1106 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | 0.2316 | |
| 30 | G | A | -0.1925 | |
| 31 | E | A | -0.3668 | |
| 32 | A | A | -0.3557 | |
| 33 | E | A | -0.8550 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | C | A | 0.3253 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.2636 | |
| 39 | L | A | -1.3842 | |
| 40 | D | A | -2.5733 | |
| 41 | N | A | -2.3908 | |
| 42 | T | A | -1.3768 | |
| 43 | P | A | -1.1513 | |
| 44 | S | A | -0.8099 | |
| 45 | S | A | -1.1373 | |
| 46 | A | A | -1.3066 | |
| 47 | E | A | -2.0246 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 1.4563 | |
| 50 | G | A | 1.4061 | |
| 51 | G | A | 1.0431 | |
| 52 | S | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.6445 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -1.4446 | |
| 58 | D | A | -1.4328 | |
| 59 | C | A | -1.0089 | |
| 60 | G | A | -1.0371 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.0975 | |
| 63 | E | A | -1.5442 | |
| 64 | A | A | -1.5777 | |
| 65 | R | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -2.3788 | |
| 68 | D | A | -1.8360 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | S | A | -1.2905 | |
| 72 | A | A | -0.7727 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -1.6271 | |
| 75 | V | A | -0.7691 | |
| 76 | G | A | -1.1547 | |
| 77 | S | A | -1.2882 | |
| 78 | G | A | -1.6739 | |
| 79 | E | A | -2.1832 | |
| 80 | A | A | 0.0000 | |
| 81 | E | A | -1.0462 | |
| 82 | M | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.3720 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -1.9040 | |
| 89 | N | A | -2.3634 | |
| 90 | T | A | -1.5939 | |
| 91 | P | A | 0.0000 | |
| 92 | S | A | -0.6995 | |
| 93 | S | A | -1.0571 | |
| 94 | A | A | 0.0000 | |
| 95 | E | A | -2.1098 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | 0.1564 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | 0.1671 | |
| 100 | S | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | E | A | -0.8608 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -0.8397 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -1.5548 | |
| 107 | S | A | -1.4892 | |
| 108 | N | A | -1.8103 | |
| 109 | E | A | -1.4409 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.3254 | |
| 112 | D | A | 0.1599 | |
| 113 | V | A | 0.9767 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | -0.0397 | |
| 116 | H | A | -0.3632 | |
| 117 | C | A | -0.7812 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.3468 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.2966 | |
| 124 | G | A | -1.4292 | |
| 125 | S | A | 0.0000 | |
| 126 | G | A | -1.5174 | |
| 127 | E | A | -1.3975 | |
| 128 | A | A | -0.8980 | |
| 129 | E | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | T | A | -0.3827 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -1.9231 | |
| 137 | N | A | -2.1673 | |
| 138 | T | A | -1.4776 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.6089 | |
| 141 | S | A | -0.8190 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.2584 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.2747 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | -0.1641 | |
| 148 | S | A | -0.4391 | |
| 149 | G | A | 0.0000 | |
| 150 | K | A | -0.6550 | |
| 151 | L | A | -0.2569 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.3428 | |
| 155 | N | A | -0.9444 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | 1.1413 | |
| 158 | L | A | 0.7555 | |
| 159 | T | A | 0.3396 | |
| 160 | G | A | -0.4373 | |
| 161 | A | A | -0.0490 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.3718 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | -0.0780 | |
| 167 | S | A | 0.0000 | |
| 168 | S | A | -0.8167 | |
| 169 | T | A | -0.7509 | |
| 170 | L | A | 0.0000 | |
| 171 | R | A | -1.9877 | |
| 172 | T | A | 0.0000 | |
| 173 | G | A | -1.2040 | |
| 174 | S | A | -1.1280 | |
| 175 | G | A | -1.3942 | |
| 176 | E | A | -1.5233 | |
| 177 | A | A | 0.0000 | |
| 178 | E | A | 0.0000 | |
| 179 | M | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | -0.6512 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -2.3049 | |
| 186 | N | A | -2.2123 | |
| 187 | T | A | 0.0000 | |
| 188 | P | A | -0.7820 | |
| 189 | S | A | -0.5879 | |
| 190 | S | A | -0.6968 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -1.0348 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | G | A | -0.0488 | |
| 197 | S | A | -0.3746 | |
| 198 | G | A | 0.0000 | |
| 199 | E | A | -0.4915 | |
| 200 | L | A | -0.1337 | |
| 201 | H | A | -0.4995 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | -0.6065 | |
| 204 | D | A | -0.2176 | |
| 205 | N | A | 0.0000 | |
| 206 | L | A | 1.6952 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | -0.0691 | |
| 209 | D | A | -0.5269 | |
| 210 | A | A | -0.4547 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -1.2663 | |
| 214 | L | A | -0.6327 | |
| 215 | L | A | -0.5260 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.8366 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | -0.9905 | |
| 220 | L | A | -1.0482 | |
| 221 | G | A | -1.4570 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.6429 | |
| 224 | E | A | -2.2893 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | M | A | -0.2838 | |
| 228 | G | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | T | A | -0.8072 | |
| 232 | L | A | 0.0000 | |
| 233 | D | A | -3.0690 | |
| 234 | N | A | -2.1858 | |
| 235 | T | A | 0.0000 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.5201 | |
| 238 | S | A | -0.7470 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -1.0506 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.4559 | |
| 243 | G | A | 0.2789 | |
| 244 | G | A | -0.0273 | |
| 245 | S | A | -0.3636 | |
| 246 | G | A | 0.0000 | |
| 247 | K | A | -0.6012 | |
| 248 | L | A | -0.1542 | |
| 249 | Q | A | -0.4400 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.6904 | |
| 252 | Y | A | -0.0760 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -0.5144 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.1977 | |
| 257 | A | A | -1.2801 | |
| 258 | A | A | -0.7853 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.7514 | |
| 262 | P | A | -1.2551 | |
| 263 | L | A | -0.7794 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.3568 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -3.0345 | |
| 269 | A | A | -1.4214 | |
| 270 | G | A | -1.6232 | |
| 271 | S | A | 0.0000 | |
| 272 | G | A | -1.4940 | |
| 273 | E | A | -1.5044 | |
| 274 | A | A | -1.0926 | |
| 275 | E | A | -0.9273 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | T | A | -0.9527 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -2.8800 | |
| 283 | N | A | -2.0347 | |
| 284 | T | A | -1.1837 | |
| 285 | P | A | 0.0000 | |
| 286 | S | A | -0.5505 | |
| 287 | S | A | -0.7396 | |
| 288 | A | A | 0.0000 | |
| 289 | E | A | -1.1851 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.4154 | |
| 292 | G | A | 0.0000 | |
| 293 | G | A | 0.0263 | |
| 294 | S | A | -0.3479 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -0.5812 | |
| 297 | L | A | -0.1582 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | -0.4329 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -1.3748 | |
| 302 | N | A | 0.0000 | |
| 303 | D | A | -2.3801 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -2.2419 | |
| 306 | E | A | -2.0213 | |
| 307 | A | A | -1.4333 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.4643 | |
| 311 | V | A | -1.4244 | |
| 312 | L | A | -1.3209 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -3.1520 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -3.5453 | |
| 318 | D | A | -3.7513 | |
| 319 | G | A | -3.1692 | |
| 320 | S | A | -2.7807 | |
| 321 | G | A | -2.3999 | |
| 322 | E | A | -2.2113 | |
| 323 | A | A | -1.6295 | |
| 324 | E | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | -0.8767 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | -2.5511 | |
| 332 | N | A | -2.0752 | |
| 333 | T | A | -1.0587 | |
| 334 | P | A | -0.8231 | |
| 335 | S | A | 0.0000 | |
| 336 | S | A | -0.9131 | |
| 337 | A | A | 0.0000 | |
| 338 | E | A | -1.3058 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.2541 | |
| 341 | G | A | 0.0000 | |
| 342 | G | A | -0.0090 | |
| 343 | S | A | -0.3900 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | -0.5712 | |
| 346 | L | A | -0.3410 | |
| 347 | K | A | -0.7266 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | -1.0910 | |
| 350 | S | A | -1.2514 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -2.0631 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -1.8819 | |
| 355 | S | A | -1.4231 | |
| 356 | D | A | -2.1005 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | -1.3582 | |
| 359 | R | A | -2.4577 | |
| 360 | D | A | -2.2338 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | -0.9862 | |
| 363 | G | A | -1.4585 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | A | A | -0.4736 | |
| 367 | S | A | -0.7716 | |
| 368 | G | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | E | A | -1.3481 | |
| 372 | A | A | -1.5234 | |
| 373 | E | A | 0.0000 | |
| 374 | M | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | T | A | -0.8793 | |
| 379 | L | A | 0.0000 | |
| 380 | D | A | -2.4278 | |
| 381 | N | A | 0.0000 | |
| 382 | T | A | -1.0377 | |
| 383 | P | A | -0.6331 | |
| 384 | S | A | -0.7532 | |
| 385 | S | A | -0.5199 | |
| 386 | A | A | 0.0000 | |
| 387 | E | A | -1.1402 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.0847 | |
| 390 | G | A | 0.0000 | |
| 391 | G | A | -0.1982 | |
| 392 | S | A | -0.4786 | |
| 393 | G | A | 0.0000 | |
| 394 | E | A | -1.0132 | |
| 395 | L | A | 0.0000 | |
| 396 | A | A | -0.1909 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | N | A | -2.3998 | |
| 401 | K | A | -2.6397 | |
| 402 | L | A | -1.2474 | |
| 403 | G | A | -0.8775 | |
| 404 | D | A | -0.8835 | |
| 405 | V | A | 0.7312 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.3050 | |
| 409 | E | A | -0.8517 | |
| 410 | L | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.1158 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.6232 | |
| 415 | L | A | 0.6827 | |
| 416 | G | A | 0.0091 | |
| 417 | S | A | 0.0000 | |
| 418 | G | A | -0.1989 | |
| 419 | P | A | -0.4253 | |
| 420 | P | A | -0.4246 | |
| 421 | L | A | -0.0254 | |
| 422 | T | A | 0.0335 | |
| 423 | H | A | -0.0806 | |
| 424 | Q | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | M | A | 0.0000 | |
| 427 | Y | A | -0.4070 | |
| 428 | V | A | -0.1800 | |
| 429 | P | A | -0.4405 | |
| 430 | P | A | -0.4776 | |
| 431 | G | A | -0.7547 | |
| 432 | G | A | -0.8796 | |
| 433 | P | A | -0.2677 | |
| 434 | I | A | 0.0000 | |
| 435 | P | A | -0.4494 | |
| 436 | K | A | 0.0000 | |
| 437 | S | A | 0.0774 | |
| 438 | Y | A | 0.8516 | |
| 439 | E | A | 0.0000 | |
| 440 | D | A | -0.2363 | |
| 441 | F | A | 0.0000 | |
| 442 | A | A | 0.4618 | |
| 443 | W | A | 0.9861 | |
| 444 | Q | A | 0.0000 | |
| 445 | T | A | 0.0314 | |
| 446 | S | A | -0.1868 | |
| 447 | T | A | -0.1910 | |
| 448 | N | A | 0.0377 | |
| 449 | P | A | 0.1477 | |
| 450 | S | A | 0.0000 | |
| 451 | V | A | 0.3669 | |
| 452 | F | A | 0.3468 | |
| 453 | W | A | 0.0000 | |
| 454 | T | A | -0.0489 | |
| 455 | E | A | 0.0000 | |
| 456 | G | A | 0.0000 | |
| 457 | S | A | -0.7059 | |
| 458 | G | A | -0.6753 | |
| 459 | T | A | -0.5636 | |
| 460 | L | A | 0.0000 | |
| 461 | W | A | 0.1218 | |
| 462 | I | A | 0.0000 | |
| 463 | W | A | -0.6844 | |
| 464 | E | A | -2.1380 | |
| 465 | C | A | 0.0000 | |
| 466 | G | A | -1.5939 | |
| 467 | I | A | 0.0000 | |
| 468 | T | A | -1.5070 | |
| 469 | A | A | -2.0290 | |
| 470 | K | A | -2.0180 | |
| 471 | G | A | 0.0000 | |
| 472 | C | A | 0.0000 | |
| 473 | G | A | -1.5914 | |
| 474 | D | A | -1.4309 | |
| 475 | L | A | 0.0000 | |
| 476 | C | A | -1.5785 | |
| 477 | R | A | -2.2889 | |
| 478 | V | A | -1.0384 | |
| 479 | L | A | -0.9725 | |
| 480 | R | A | -2.4037 | |
| 481 | A | A | -1.2357 | |
| 482 | G | A | -1.1133 | |
| 483 | S | A | -1.2344 | |
| 484 | G | A | -0.8639 | |
| 485 | P | A | -0.1671 | |
| 486 | P | A | 0.2278 | |
| 487 | L | A | 0.7571 | |
| 488 | T | A | 0.0000 | |
| 489 | H | A | 0.1399 | |
| 490 | Q | A | 0.0000 | |
| 491 | V | A | 0.7227 | |
| 492 | M | A | 0.0000 | |
| 493 | Y | A | 0.4024 | |
| 494 | V | A | 0.0000 | |
| 495 | P | A | -0.2058 | |
| 496 | P | A | -0.4462 | |
| 497 | G | A | -0.2925 | |
| 498 | G | A | 0.0260 | |
| 499 | P | A | 0.3859 | |
| 500 | I | A | 1.0029 | |
| 501 | P | A | 0.3174 | |
| 502 | K | A | -0.0648 | |
| 503 | S | A | -0.0691 | |
| 504 | Y | A | 0.0000 | |
| 505 | E | A | -0.2828 | |
| 506 | D | A | 0.0000 | |
| 507 | F | A | 0.1739 | |
| 508 | A | A | 0.2130 | |
| 509 | W | A | 0.3968 | |
| 510 | Q | A | 0.0000 | |
| 511 | T | A | -0.0631 | |
| 512 | S | A | -0.1505 | |
| 513 | T | A | -0.1807 | |
| 514 | N | A | 0.0000 | |
| 515 | P | A | 0.2514 | |
| 516 | S | A | 0.0000 | |
| 517 | V | A | 1.2820 | |
| 518 | F | A | 0.0000 | |
| 519 | W | A | 1.1950 | |
| 520 | T | A | 0.2498 | |
| 521 | E | A | -0.5015 | |
| 522 | G | A | -0.7704 | |
| 523 | S | A | -0.9248 | |
| 524 | G | A | -0.7635 | |
| 525 | E | A | -0.7707 | |
| 526 | L | A | 0.1609 | |
| 527 | S | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | A | A | 0.0000 | |
| 530 | G | A | -1.3493 | |
| 531 | N | A | 0.0000 | |
| 532 | E | A | -1.9545 | |
| 533 | L | A | -1.8241 | |
| 534 | G | A | -1.9903 | |
| 535 | D | A | -2.8946 | |
| 536 | E | A | -3.1503 | |
| 537 | G | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | R | A | -1.7638 | |
| 540 | L | A | -1.1372 | |
| 541 | L | A | -0.3397 | |
| 542 | C | A | 0.0000 | |
| 543 | E | A | -0.8605 | |
| 544 | T | A | -0.6839 | |
| 545 | L | A | -0.0869 | |
| 546 | L | A | 0.1349 | |
| 547 | G | A | -0.4757 | |
| 548 | S | A | -0.7302 | |
| 549 | G | A | -0.4606 | |
| 550 | P | A | -0.7029 | |
| 551 | P | A | -0.3818 | |
| 552 | L | A | 0.2671 | |
| 553 | T | A | 0.1220 | |
| 554 | H | A | 0.0000 | |
| 555 | Q | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | M | A | 0.0000 | |
| 558 | Y | A | 0.0000 | |
| 559 | V | A | -0.0774 | |
| 560 | P | A | -0.3090 | |
| 561 | P | A | -0.2860 | |
| 562 | G | A | -0.1694 | |
| 563 | G | A | -0.2465 | |
| 564 | P | A | -0.2815 | |
| 565 | I | A | 0.0000 | |
| 566 | P | A | -0.5435 | |
| 567 | K | A | -0.5762 | |
| 568 | S | A | 0.0645 | |
| 569 | Y | A | 0.5830 | |
| 570 | E | A | 0.0000 | |
| 571 | D | A | -1.3288 | |
| 572 | F | A | 0.0000 | |
| 573 | A | A | -0.1858 | |
| 574 | W | A | 0.0000 | |
| 575 | Q | A | -0.8654 | |
| 576 | T | A | -0.6925 | |
| 577 | S | A | -0.3856 | |
| 578 | T | A | -0.2289 | |
| 579 | N | A | 0.0000 | |
| 580 | P | A | -0.0955 | |
| 581 | S | A | 0.0000 | |
| 582 | V | A | 0.9028 | |
| 583 | F | A | 0.0000 | |
| 584 | W | A | 0.4673 | |
| 585 | T | A | 0.0000 | |
| 586 | E | A | -0.9785 | |
| 587 | G | A | -1.0139 | |
| 588 | S | A | -1.0757 | |
| 589 | G | A | -0.8420 | |
| 590 | S | A | -0.4875 | |
| 591 | L | A | 0.0000 | |
| 592 | W | A | 0.2259 | |
| 593 | V | A | 0.0000 | |
| 594 | K | A | -1.0392 | |
| 595 | S | A | -1.4316 | |
| 596 | C | A | 0.0000 | |
| 597 | S | A | -1.5844 | |
| 598 | F | A | 0.0000 | |
| 599 | T | A | -1.2850 | |
| 600 | A | A | -1.5657 | |
| 601 | A | A | -0.7156 | |
| 602 | C | A | 0.0000 | |
| 603 | C | A | 0.0000 | |
| 604 | S | A | -0.8155 | |
| 605 | H | A | -0.6848 | |
| 606 | F | A | 0.0000 | |
| 607 | S | A | -1.0977 | |
| 608 | S | A | -0.7587 | |
| 609 | V | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | A | A | -1.1181 | |
| 612 | Q | A | -1.3566 | |
| 613 | G | A | -1.1977 | |
| 614 | S | A | -1.0809 | |
| 615 | G | A | -1.0321 | |
| 616 | P | A | -0.5922 | |
| 617 | P | A | -0.3339 | |
| 618 | L | A | 0.3461 | |
| 619 | T | A | 0.0683 | |
| 620 | H | A | -0.1514 | |
| 621 | Q | A | 0.0000 | |
| 622 | V | A | 0.0000 | |
| 623 | M | A | 0.0000 | |
| 624 | Y | A | 0.0000 | |
| 625 | V | A | 0.0000 | |
| 626 | P | A | -0.3356 | |
| 627 | P | A | -0.5758 | |
| 628 | G | A | -0.7819 | |
| 629 | G | A | -0.5581 | |
| 630 | P | A | 0.0976 | |
| 631 | I | A | 0.9428 | |
| 632 | P | A | 0.0000 | |
| 633 | K | A | -1.3699 | |
| 634 | S | A | -1.0319 | |
| 635 | Y | A | 0.0000 | |
| 636 | E | A | -2.2038 | |
| 637 | D | A | -1.8569 | |
| 638 | F | A | 0.5155 | |
| 639 | A | A | 0.0000 | |
| 640 | W | A | 0.9608 | |
| 641 | Q | A | 0.0000 | |
| 642 | T | A | 0.0000 | |
| 643 | S | A | -0.1449 | |
| 644 | T | A | -0.1782 | |
| 645 | N | A | 0.0000 | |
| 646 | P | A | 0.1616 | |
| 647 | S | A | 0.0000 | |
| 648 | V | A | 1.1384 | |
| 649 | F | A | 0.0000 | |
| 650 | W | A | 0.8596 | |
| 651 | T | A | 0.1951 | |
| 652 | E | A | -0.3948 | |
| 653 | G | A | -0.7238 | |
| 654 | S | A | -0.8428 | |
| 655 | G | A | -0.7327 | |
| 656 | E | A | -0.5989 | |
| 657 | L | A | 0.0781 | |
| 658 | Q | A | 0.1322 | |
| 659 | I | A | 0.0000 | |
| 660 | S | A | 0.0000 | |
| 661 | N | A | -2.0848 | |
| 662 | N | A | 0.0000 | |
| 663 | R | A | -3.4319 | |
| 664 | L | A | 0.0000 | |
| 665 | E | A | -3.4318 | |
| 666 | D | A | -2.7050 | |
| 667 | A | A | -1.7640 | |
| 668 | G | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | R | A | -2.8163 | |
| 671 | E | A | -2.2160 | |
| 672 | L | A | 0.0000 | |
| 673 | C | A | -1.3774 | |
| 674 | Q | A | -2.0217 | |
| 675 | G | A | 0.0000 | |
| 676 | L | A | -0.9158 | |
| 677 | G | A | -1.2978 | |
| 678 | G | A | -1.3693 | |
| 679 | S | A | -1.1350 | |
| 680 | G | A | -0.6835 | |
| 681 | P | A | -0.4240 | |
| 682 | P | A | 0.2886 | |
| 683 | L | A | 1.2466 | |
| 684 | T | A | 0.0000 | |
| 685 | H | A | -0.3889 | |
| 686 | Q | A | 0.0000 | |
| 687 | V | A | 0.0000 | |
| 688 | M | A | 0.0000 | |
| 689 | Y | A | 0.4964 | |
| 690 | V | A | 0.0000 | |
| 691 | P | A | -0.3132 | |
| 692 | P | A | -0.5349 | |
| 693 | G | A | -0.3426 | |
| 694 | G | A | 0.0000 | |
| 695 | P | A | 0.2888 | |
| 696 | I | A | 0.0000 | |
| 697 | P | A | 0.0000 | |
| 698 | K | A | -1.2270 | |
| 699 | S | A | 0.0833 | |
| 700 | Y | A | 1.1952 | |
| 701 | E | A | 0.0000 | |
| 702 | D | A | -0.3377 | |
| 703 | F | A | 0.0000 | |
| 704 | A | A | 0.4756 | |
| 705 | W | A | 1.0070 | |
| 706 | Q | A | 0.0000 | |
| 707 | T | A | -0.0698 | |
| 708 | S | A | -0.2808 | |
| 709 | T | A | -0.1684 | |
| 710 | N | A | 0.0000 | |
| 711 | P | A | 0.3302 | |
| 712 | S | A | 0.0000 | |
| 713 | V | A | 0.9566 | |
| 714 | F | A | 0.0000 | |
| 715 | W | A | 0.8185 | |
| 716 | T | A | 0.0000 | |
| 717 | E | A | -0.6820 | |
| 718 | G | A | -0.9160 | |
| 719 | S | A | -0.8933 | |
| 720 | G | A | -0.7148 | |
| 721 | V | A | -0.3225 | |
| 722 | L | A | 0.0000 | |
| 723 | W | A | 0.4610 | |
| 724 | L | A | 0.0000 | |
| 725 | A | A | 0.0000 | |
| 726 | D | A | -2.8455 | |
| 727 | C | A | 0.0000 | |
| 728 | D | A | -3.8026 | |
| 729 | V | A | 0.0000 | |
| 730 | S | A | -1.6284 | |
| 731 | D | A | -1.1584 | |
| 732 | S | A | -1.0929 | |
| 733 | S | A | 0.0000 | |
| 734 | C | A | 0.0000 | |
| 735 | S | A | -0.8325 | |
| 736 | S | A | -0.9704 | |
| 737 | L | A | 0.0000 | |
| 738 | A | A | 0.0000 | |
| 739 | A | A | 0.2251 | |
| 740 | T | A | 0.0604 | |
| 741 | L | A | 0.3736 | |
| 742 | L | A | 0.6053 | |
| 743 | A | A | 0.1535 | |
| 744 | G | A | -0.5878 | |
| 745 | S | A | -0.4993 | |
| 746 | G | A | -0.0599 | |
| 747 | P | A | -0.2160 | |
| 748 | P | A | -0.1058 | |
| 749 | L | A | 0.2694 | |
| 750 | T | A | 0.0000 | |
| 751 | H | A | 0.0000 | |
| 752 | Q | A | 0.0000 | |
| 753 | V | A | 0.7414 | |
| 754 | M | A | 0.0000 | |
| 755 | Y | A | 0.2773 | |
| 756 | V | A | 0.0000 | |
| 757 | P | A | -0.4641 | |
| 758 | P | A | -0.4190 | |
| 759 | G | A | -0.1748 | |
| 760 | G | A | 0.1157 | |
| 761 | P | A | 0.3464 | |
| 762 | I | A | 0.0667 | |
| 763 | P | A | -0.0282 | |
| 764 | K | A | 0.0000 | |
| 765 | S | A | -0.2969 | |
| 766 | Y | A | -0.4941 | |
| 767 | E | A | 0.0000 | |
| 768 | D | A | -2.0808 | |
| 769 | F | A | 0.0000 | |
| 770 | A | A | -0.5432 | |
| 771 | W | A | -0.0023 | |
| 772 | Q | A | 0.0000 | |
| 773 | T | A | -0.2697 | |
| 774 | S | A | -0.3425 | |
| 775 | T | A | -0.2588 | |
| 776 | N | A | 0.0000 | |
| 777 | P | A | 0.1341 | |
| 778 | S | A | 0.0000 | |
| 779 | V | A | 1.3662 | |
| 780 | F | A | 0.0000 | |
| 781 | W | A | 0.5982 | |
| 782 | T | A | 0.0000 | |
| 783 | E | A | -0.7504 | |
| 784 | G | A | -0.8628 | |
| 785 | S | A | -1.0305 | |
| 786 | G | A | -1.0436 | |
| 787 | E | A | -1.2892 | |
| 788 | L | A | 0.0000 | |
| 789 | D | A | 0.0000 | |
| 790 | L | A | 0.0000 | |
| 791 | S | A | 0.0000 | |
| 792 | N | A | -1.3043 | |
| 793 | N | A | -2.0345 | |
| 794 | C | A | 0.0000 | |
| 795 | L | A | 0.0000 | |
| 796 | G | A | -0.2264 | |
| 797 | D | A | -1.0696 | |
| 798 | A | A | -0.5633 | |
| 799 | G | A | 0.0000 | |
| 800 | I | A | 0.0000 | |
| 801 | L | A | -0.7125 | |
| 802 | Q | A | -1.1615 | |
| 803 | L | A | 0.0000 | |
| 804 | V | A | 0.0000 | |
| 805 | E | A | -1.8236 | |
| 806 | S | A | 0.0000 | |
| 807 | V | A | 0.0000 | |
| 808 | R | A | -2.6156 | |
| 809 | G | A | -1.5229 | |
| 810 | S | A | -0.7408 | |
| 811 | G | A | -0.5086 | |
| 812 | P | A | 0.0000 | |
| 813 | P | A | 0.0000 | |
| 814 | L | A | 0.0000 | |
| 815 | T | A | 0.0000 | |
| 816 | H | A | 0.0000 | |
| 817 | Q | A | 0.0000 | |
| 818 | V | A | 0.0000 | |
| 819 | M | A | 0.0000 | |
| 820 | Y | A | 0.1619 | |
| 821 | V | A | 0.0000 | |
| 822 | P | A | -0.4736 | |
| 823 | P | A | -0.5003 | |
| 824 | G | A | -0.5251 | |
| 825 | G | A | -0.9584 | |
| 826 | P | A | 0.0000 | |
| 827 | I | A | 0.0000 | |
| 828 | P | A | -1.4595 | |
| 829 | K | A | -1.4171 | |
| 830 | S | A | -0.9009 | |
| 831 | Y | A | -0.5207 | |
| 832 | E | A | -0.9547 | |
| 833 | D | A | -0.5904 | |
| 834 | F | A | 0.4030 | |
| 835 | A | A | 0.5515 | |
| 836 | W | A | 1.3689 | |
| 837 | Q | A | 0.0000 | |
| 838 | T | A | -0.0540 | |
| 839 | S | A | -0.2926 | |
| 840 | T | A | -0.2650 | |
| 841 | N | A | -0.0281 | |
| 842 | P | A | 0.2592 | |
| 843 | S | A | 0.0000 | |
| 844 | V | A | 0.9684 | |
| 845 | F | A | 0.0000 | |
| 846 | W | A | 0.7095 | |
| 847 | T | A | -0.0557 | |
| 848 | E | A | -0.5981 | |
| 849 | G | A | -1.0373 | |
| 850 | S | A | -0.9979 | |
| 851 | G | A | 0.0000 | |
| 852 | Q | A | -1.0507 | |
| 853 | L | A | 0.0000 | |
| 854 | V | A | 0.6841 | |
| 855 | L | A | 0.0000 | |
| 856 | Y | A | 1.1024 | |
| 857 | D | A | 0.1217 | |
| 858 | I | A | 1.1283 | |
| 859 | Y | A | 0.9469 | |
| 860 | W | A | -0.5449 | |
| 861 | S | A | -1.9679 | |
| 862 | E | A | -3.7172 | |
| 863 | E | A | -4.1293 | |
| 864 | M | A | -3.1387 | |
| 865 | E | A | -3.5469 | |
| 866 | D | A | -4.6765 | |
| 867 | R | A | -4.3864 | |
| 868 | L | A | 0.0000 | |
| 869 | Q | A | -4.1233 | |
| 870 | A | A | -3.1259 | |
| 871 | L | A | -3.0965 | |
| 872 | E | A | -3.8433 | |
| 873 | K | A | -3.8877 | |
| 874 | D | A | -3.6923 | |
| 875 | G | A | -2.6742 | |
| 876 | S | A | -1.7902 | |
| 877 | G | A | 0.0000 | |
| 878 | P | A | -0.6878 | |
| 879 | P | A | -0.9320 | |
| 880 | L | A | 0.0000 | |
| 881 | T | A | 0.0000 | |
| 882 | H | A | 0.3091 | |
| 883 | Q | A | 0.0000 | |
| 884 | V | A | 0.9176 | |
| 885 | M | A | 0.9241 | |
| 886 | Y | A | 0.1330 | |
| 887 | V | A | 0.0000 | |
| 888 | P | A | -0.6323 | |
| 889 | P | A | -0.7178 | |
| 890 | G | A | -0.4889 | |
| 891 | G | A | -0.1716 | |
| 892 | P | A | 0.5562 | |
| 893 | I | A | 1.4244 | |
| 894 | P | A | 0.0242 | |
| 895 | K | A | -1.4203 | |
| 896 | S | A | -0.8300 | |
| 897 | Y | A | -0.0635 | |
| 898 | E | A | -0.8840 | |
| 899 | D | A | 0.3341 | |
| 900 | F | A | 1.8773 | |
| 901 | A | A | 0.9206 | |
| 902 | W | A | 1.1258 | |
| 903 | Q | A | -0.2214 | |
| 904 | T | A | -0.3802 | |
| 905 | S | A | -0.5226 | |
| 906 | T | A | -0.4659 | |
| 907 | N | A | 0.0000 | |
| 908 | P | A | 0.0724 | |
| 909 | S | A | 0.0000 | |
| 910 | V | A | 1.5964 | |
| 911 | F | A | 1.3533 | |
| 912 | W | A | 0.9368 | |
| 913 | T | A | -0.5475 | |
| 914 | E | A | -1.0497 | |
| 915 | G | A | -1.2207 | |
| 916 | S | A | -1.1333 | |
| 917 | G | A | -1.3445 | |
| 918 | R | A | -1.0985 | |
| 919 | V | A | 0.0476 | |
| 920 | I | A | 0.9493 | |
| 921 | S | A | 0.5639 |
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, -0.4903 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_2 | -0.4903 | View | CSV | PDB |
| model_0 | -0.5147 | View | CSV | PDB |
| model_6 | -0.5249 | View | CSV | PDB |
| model_4 | -0.5262 | View | CSV | PDB |
| model_3 | -0.5289 | View | CSV | PDB |
| CABS_average | -0.5392 | View | CSV | PDB |
| model_5 | -0.5398 | View | CSV | PDB |
| model_7 | -0.5435 | View | CSV | PDB |
| model_11 | -0.5464 | View | CSV | PDB |
| input | -0.5483 | View | CSV | PDB |
| model_9 | -0.5502 | View | CSV | PDB |
| model_1 | -0.5594 | View | CSV | PDB |
| model_8 | -0.5694 | View | CSV | PDB |
| model_10 | -0.5769 | 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