Project name: C30_E30_EF_D68_EF_GSG
Status: done
Started: 2026-07-21 11:07:39
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELALGSNKLGDVGMAELCPGLLGSGLFTYLRFDAEITILTGSGTLWIWECGITAKGCGDLCRVLRAGSGLFTYLRFDAEITILTGSGELSLAGNELGDEGARLLCETLLGSGLFTYLRFDAEITILTGSGSLWVKSCSFTAACCSHFSSVLAQGSGLFTYLRFDAEITILTGSGELQISNNRLEDAGVRELCQGLGGSGLFTYLRFDAEITILTGSGVLWLADCDVSDSSCSSLAATLLAGSGLFTYLRFDAEITILTGSGELDLSNNCLGDAGILQLVESVRGSGLFTYLRFDAEITILTGSGQLVLYDIYWSEEMEDRLQALEKDGSGLFTYLRFDAEITILTGSGRVIS
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:13:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:09:06)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:09:13)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:09:20)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:09:27)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:09:34)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:09:41)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:09:48)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:09:55)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:10:02)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:10:09)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:10:16)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:10:23)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:10:30)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:10:47)
[INFO] Main: Simulation completed successfully. (03:10:54)
|
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
- -4.5532
- Maximal score value
- 3.1055
- Average score
- -0.4956
- Total score value
- -436.621
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 | -1.0685 | |
| 2 | L | A | -0.9141 | |
| 3 | D | A | -1.4082 | |
| 4 | I | A | 0.3604 | |
| 5 | Q | A | -0.6768 | |
| 6 | S | A | -1.0261 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.1149 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4650 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -2.0474 | |
| 13 | E | A | -1.8823 | |
| 14 | L | A | -0.2172 | |
| 15 | S | A | -1.3949 | |
| 16 | D | A | -2.4693 | |
| 17 | A | A | -1.5608 | |
| 18 | R | A | -2.0715 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6100 | |
| 21 | E | A | -2.2687 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.9869 | |
| 25 | L | A | -0.3909 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.8608 | |
| 28 | G | A | -0.6141 | |
| 29 | S | A | -0.5313 | |
| 30 | G | A | -0.8084 | |
| 31 | P | A | 0.0000 | |
| 32 | P | A | 0.3242 | |
| 33 | L | A | 1.1169 | |
| 34 | T | A | 0.4937 | |
| 35 | H | A | -0.2092 | |
| 36 | Q | A | -0.9584 | |
| 37 | V | A | -0.0891 | |
| 38 | M | A | 0.0000 | |
| 39 | Y | A | 1.2562 | |
| 40 | V | A | 1.0106 | |
| 41 | P | A | 0.0825 | |
| 42 | P | A | -0.4575 | |
| 43 | G | A | -0.4018 | |
| 44 | G | A | 0.0685 | |
| 45 | P | A | 0.5137 | |
| 46 | I | A | 1.6869 | |
| 47 | P | A | 0.2794 | |
| 48 | K | A | -1.4096 | |
| 49 | S | A | -1.2108 | |
| 50 | Y | A | -1.0452 | |
| 51 | E | A | -1.6549 | |
| 52 | D | A | 0.0000 | |
| 53 | F | A | 0.4730 | |
| 54 | A | A | 0.3875 | |
| 55 | W | A | 1.1183 | |
| 56 | Q | A | 0.0000 | |
| 57 | T | A | 0.2513 | |
| 58 | S | A | -0.2091 | |
| 59 | T | A | 0.0030 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | V | A | 0.4547 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 0.6780 | |
| 66 | T | A | 0.3797 | |
| 67 | E | A | -0.0534 | |
| 68 | G | A | -0.3442 | |
| 69 | S | A | -0.7242 | |
| 70 | G | A | -1.2039 | |
| 71 | V | A | 0.0000 | |
| 72 | R | A | -2.0109 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -2.2887 | |
| 75 | D | A | -2.1636 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -2.2153 | |
| 80 | E | A | -2.4559 | |
| 81 | A | A | -1.8615 | |
| 82 | R | A | -2.3265 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.3256 | |
| 85 | D | A | -1.8619 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | S | A | -1.0292 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.8060 | |
| 91 | R | A | -1.2651 | |
| 92 | V | A | 0.6227 | |
| 93 | G | A | -0.2977 | |
| 94 | S | A | -0.6514 | |
| 95 | G | A | -0.6700 | |
| 96 | P | A | 0.0000 | |
| 97 | P | A | 0.1012 | |
| 98 | L | A | 0.6697 | |
| 99 | T | A | 0.0119 | |
| 100 | H | A | 0.2328 | |
| 101 | Q | A | 0.0000 | |
| 102 | V | A | 0.7149 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.3220 | |
| 105 | V | A | 0.0000 | |
| 106 | P | A | -0.1090 | |
| 107 | P | A | -0.5757 | |
| 108 | G | A | -0.6408 | |
| 109 | G | A | 0.0000 | |
| 110 | P | A | -0.0660 | |
| 111 | I | A | 0.5300 | |
| 112 | P | A | -0.5078 | |
| 113 | K | A | 0.0000 | |
| 114 | S | A | -0.9881 | |
| 115 | Y | A | 0.0000 | |
| 116 | E | A | -1.9605 | |
| 117 | D | A | -1.3090 | |
| 118 | F | A | 0.4031 | |
| 119 | A | A | 0.0000 | |
| 120 | W | A | 0.0000 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | -0.1979 | |
| 123 | S | A | -0.2290 | |
| 124 | T | A | -0.2109 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.1146 | |
| 127 | S | A | 0.0000 | |
| 128 | V | A | 0.7580 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.8698 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -0.5142 | |
| 133 | G | A | -0.6300 | |
| 134 | S | A | -0.8946 | |
| 135 | G | A | -0.9423 | |
| 136 | E | A | -1.3549 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | -1.3692 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.4865 | |
| 141 | S | A | -2.2463 | |
| 142 | N | A | -2.7860 | |
| 143 | E | A | -3.1946 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -1.4386 | |
| 146 | D | A | -0.9853 | |
| 147 | V | A | 0.4121 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.9429 | |
| 151 | C | A | -1.1508 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.5070 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -1.1611 | |
| 157 | Q | A | -1.7551 | |
| 158 | G | A | -1.3992 | |
| 159 | S | A | -1.1324 | |
| 160 | G | A | -1.2630 | |
| 161 | P | A | -0.6834 | |
| 162 | P | A | -0.3437 | |
| 163 | L | A | -0.0651 | |
| 164 | T | A | -0.0417 | |
| 165 | H | A | 0.0000 | |
| 166 | Q | A | 0.0000 | |
| 167 | V | A | 0.8742 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.4260 | |
| 170 | V | A | 0.1033 | |
| 171 | P | A | -0.3132 | |
| 172 | P | A | -0.3142 | |
| 173 | G | A | -0.2831 | |
| 174 | G | A | 0.0094 | |
| 175 | P | A | 0.4033 | |
| 176 | I | A | 0.3618 | |
| 177 | P | A | 0.0000 | |
| 178 | K | A | -1.6340 | |
| 179 | S | A | -0.8407 | |
| 180 | Y | A | -0.7118 | |
| 181 | E | A | -1.1444 | |
| 182 | D | A | -0.5443 | |
| 183 | F | A | 0.0679 | |
| 184 | A | A | -0.2750 | |
| 185 | W | A | 0.0000 | |
| 186 | Q | A | -0.2435 | |
| 187 | T | A | -0.2174 | |
| 188 | S | A | -0.3341 | |
| 189 | T | A | -0.1593 | |
| 190 | N | A | -0.1335 | |
| 191 | P | A | 0.2007 | |
| 192 | S | A | 0.0000 | |
| 193 | V | A | 0.8611 | |
| 194 | F | A | 0.6268 | |
| 195 | W | A | 0.5449 | |
| 196 | T | A | 0.0000 | |
| 197 | E | A | -0.7024 | |
| 198 | G | A | -0.9099 | |
| 199 | S | A | -1.1668 | |
| 200 | G | A | -1.2787 | |
| 201 | K | A | -1.3303 | |
| 202 | L | A | -0.6336 | |
| 203 | S | A | -0.9303 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.7550 | |
| 206 | N | A | -2.2221 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -1.4953 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.3281 | |
| 211 | G | A | -0.1293 | |
| 212 | A | A | 0.0741 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.0073 | |
| 216 | V | A | -0.0802 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | S | A | -0.8213 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | -0.9812 | |
| 222 | R | A | -1.9331 | |
| 223 | T | A | -1.4360 | |
| 224 | G | A | -1.3811 | |
| 225 | S | A | -1.1913 | |
| 226 | G | A | -0.6945 | |
| 227 | P | A | 0.0000 | |
| 228 | P | A | -0.2858 | |
| 229 | L | A | -0.1210 | |
| 230 | T | A | -0.2521 | |
| 231 | H | A | 0.0000 | |
| 232 | Q | A | 0.0170 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.0342 | |
| 236 | V | A | 0.0000 | |
| 237 | P | A | -0.3927 | |
| 238 | P | A | -0.4497 | |
| 239 | G | A | -0.2841 | |
| 240 | G | A | -0.3097 | |
| 241 | P | A | -0.5483 | |
| 242 | I | A | -0.5667 | |
| 243 | P | A | -1.3046 | |
| 244 | K | A | -1.9908 | |
| 245 | S | A | -0.9020 | |
| 246 | Y | A | -0.0539 | |
| 247 | E | A | -1.6591 | |
| 248 | D | A | -2.1395 | |
| 249 | F | A | -1.0878 | |
| 250 | A | A | -0.5817 | |
| 251 | W | A | 0.0000 | |
| 252 | Q | A | -0.6485 | |
| 253 | T | A | -0.5090 | |
| 254 | S | A | -0.4465 | |
| 255 | T | A | -0.2649 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.0427 | |
| 258 | S | A | 0.0000 | |
| 259 | V | A | 0.7066 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.3483 | |
| 262 | T | A | 0.0000 | |
| 263 | E | A | -0.5928 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -1.1051 | |
| 266 | G | A | -1.3366 | |
| 267 | E | A | -2.3081 | |
| 268 | L | A | -0.9178 | |
| 269 | H | A | -0.8411 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -1.3991 | |
| 273 | N | A | -1.3694 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.4025 | |
| 276 | G | A | -0.1820 | |
| 277 | D | A | -0.7787 | |
| 278 | A | A | -0.2672 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -0.9153 | |
| 282 | L | A | 0.1660 | |
| 283 | L | A | 0.0681 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -0.6162 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | 0.1158 | |
| 288 | L | A | 0.3787 | |
| 289 | G | A | -0.3439 | |
| 290 | S | A | -0.7006 | |
| 291 | G | A | -0.3689 | |
| 292 | P | A | -0.3859 | |
| 293 | P | A | -0.4359 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.6401 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.1958 | |
| 301 | V | A | 0.0000 | |
| 302 | P | A | -0.3795 | |
| 303 | P | A | -0.7831 | |
| 304 | G | A | -0.9047 | |
| 305 | G | A | 0.0000 | |
| 306 | P | A | -0.7898 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -1.0112 | |
| 309 | K | A | -1.7801 | |
| 310 | S | A | -1.0269 | |
| 311 | Y | A | -0.8253 | |
| 312 | E | A | -1.9560 | |
| 313 | D | A | -1.2311 | |
| 314 | F | A | -0.1893 | |
| 315 | A | A | -0.1792 | |
| 316 | W | A | 0.4422 | |
| 317 | Q | A | -0.0464 | |
| 318 | T | A | -0.2324 | |
| 319 | S | A | -0.4006 | |
| 320 | T | A | -0.2110 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.2834 | |
| 323 | S | A | 0.0000 | |
| 324 | V | A | 0.4620 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.2883 | |
| 327 | T | A | 0.0000 | |
| 328 | E | A | -0.9500 | |
| 329 | G | A | 0.0000 | |
| 330 | S | A | -1.0635 | |
| 331 | G | A | -1.1933 | |
| 332 | K | A | -1.5438 | |
| 333 | L | A | -0.9802 | |
| 334 | Q | A | -0.8736 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.7853 | |
| 337 | Y | A | -0.7223 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.8151 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.1339 | |
| 342 | A | A | -1.1661 | |
| 343 | A | A | -0.8111 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -2.1535 | |
| 347 | P | A | -1.1614 | |
| 348 | L | A | -0.6347 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -0.8330 | |
| 351 | V | A | 0.0000 | |
| 352 | L | A | -0.5629 | |
| 353 | R | A | -1.3300 | |
| 354 | A | A | -0.2266 | |
| 355 | G | A | -0.4079 | |
| 356 | S | A | -0.8966 | |
| 357 | G | A | -0.5424 | |
| 358 | P | A | -0.0338 | |
| 359 | P | A | 0.4664 | |
| 360 | L | A | 1.2194 | |
| 361 | T | A | 0.5017 | |
| 362 | H | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.0057 | |
| 367 | V | A | 0.0000 | |
| 368 | P | A | -0.5243 | |
| 369 | P | A | -0.5966 | |
| 370 | G | A | -0.6739 | |
| 371 | G | A | -0.3102 | |
| 372 | P | A | -0.5970 | |
| 373 | I | A | 0.0000 | |
| 374 | P | A | -1.1295 | |
| 375 | K | A | -1.6843 | |
| 376 | S | A | -0.2862 | |
| 377 | Y | A | 1.0674 | |
| 378 | E | A | 0.0000 | |
| 379 | D | A | 0.3953 | |
| 380 | F | A | 1.6364 | |
| 381 | A | A | 1.0195 | |
| 382 | W | A | 1.4398 | |
| 383 | Q | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | -0.1059 | |
| 386 | T | A | -0.1422 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | 0.2847 | |
| 389 | S | A | 0.0000 | |
| 390 | V | A | 1.3071 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.0000 | |
| 393 | T | A | -0.1165 | |
| 394 | E | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | S | A | -1.0899 | |
| 397 | G | A | -1.1728 | |
| 398 | E | A | -2.1987 | |
| 399 | L | A | -1.0646 | |
| 400 | T | A | -0.5522 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | -1.1624 | |
| 403 | N | A | -1.7614 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.3727 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -1.8781 | |
| 408 | E | A | -2.0930 | |
| 409 | A | A | -1.6507 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.7312 | |
| 413 | V | A | -1.5417 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.0263 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.3167 | |
| 419 | K | A | -1.9869 | |
| 420 | D | A | -2.5595 | |
| 421 | G | A | -1.7732 | |
| 422 | S | A | -1.2555 | |
| 423 | G | A | -0.8882 | |
| 424 | P | A | -0.1060 | |
| 425 | P | A | 0.3676 | |
| 426 | L | A | 0.0000 | |
| 427 | T | A | 0.3224 | |
| 428 | H | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | V | A | 0.7479 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.6474 | |
| 433 | V | A | 0.3454 | |
| 434 | P | A | -0.2936 | |
| 435 | P | A | -0.4412 | |
| 436 | G | A | -0.8710 | |
| 437 | G | A | 0.0000 | |
| 438 | P | A | -0.3063 | |
| 439 | I | A | 0.0000 | |
| 440 | P | A | -0.1093 | |
| 441 | K | A | 0.0000 | |
| 442 | S | A | -0.4438 | |
| 443 | Y | A | -0.0767 | |
| 444 | E | A | -0.9222 | |
| 445 | D | A | -1.1478 | |
| 446 | F | A | 0.0000 | |
| 447 | A | A | -0.5409 | |
| 448 | W | A | 0.0000 | |
| 449 | Q | A | -1.3725 | |
| 450 | T | A | -1.0245 | |
| 451 | S | A | -0.7014 | |
| 452 | T | A | -0.6620 | |
| 453 | N | A | -0.6898 | |
| 454 | P | A | -0.2899 | |
| 455 | S | A | 0.0000 | |
| 456 | V | A | 0.9353 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.6212 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | -0.5888 | |
| 461 | G | A | -0.7254 | |
| 462 | S | A | -1.2658 | |
| 463 | G | A | -1.3306 | |
| 464 | A | A | 0.0000 | |
| 465 | L | A | -0.5961 | |
| 466 | K | A | -0.5417 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -1.0994 | |
| 469 | S | A | -1.7985 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -2.1818 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.5106 | |
| 474 | S | A | -0.9676 | |
| 475 | D | A | -1.7079 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.3939 | |
| 479 | D | A | -1.8082 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.5201 | |
| 482 | G | A | -0.7150 | |
| 483 | I | A | 0.0000 | |
| 484 | V | A | -0.0581 | |
| 485 | A | A | -0.0104 | |
| 486 | S | A | -0.5739 | |
| 487 | G | A | -0.7912 | |
| 488 | S | A | -0.6569 | |
| 489 | G | A | -0.4047 | |
| 490 | P | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | L | A | 0.6847 | |
| 493 | T | A | 0.0000 | |
| 494 | H | A | 0.0000 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | M | A | 0.2494 | |
| 498 | Y | A | 0.0673 | |
| 499 | V | A | 0.0000 | |
| 500 | P | A | -0.3561 | |
| 501 | P | A | -0.8043 | |
| 502 | G | A | -0.7366 | |
| 503 | G | A | -0.7532 | |
| 504 | P | A | 0.1182 | |
| 505 | I | A | 1.3891 | |
| 506 | P | A | 0.6544 | |
| 507 | K | A | 0.0000 | |
| 508 | S | A | 0.5066 | |
| 509 | Y | A | 0.7654 | |
| 510 | E | A | 0.2268 | |
| 511 | D | A | -0.0301 | |
| 512 | F | A | 0.0000 | |
| 513 | A | A | 0.5038 | |
| 514 | W | A | 0.8860 | |
| 515 | Q | A | 0.0000 | |
| 516 | T | A | -0.3680 | |
| 517 | S | A | -0.7128 | |
| 518 | T | A | -0.9380 | |
| 519 | N | A | -1.0939 | |
| 520 | P | A | -0.8273 | |
| 521 | S | A | 0.0000 | |
| 522 | V | A | 0.2614 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.7882 | |
| 525 | T | A | 0.0000 | |
| 526 | E | A | -0.0614 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | -0.8819 | |
| 529 | G | A | -1.1976 | |
| 530 | E | A | -2.1836 | |
| 531 | L | A | -0.5588 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | 0.0000 | |
| 536 | N | A | -2.5273 | |
| 537 | K | A | -2.6924 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.6540 | |
| 540 | D | A | -0.3166 | |
| 541 | V | A | 1.0792 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.3298 | |
| 545 | E | A | -0.7143 | |
| 546 | L | A | -0.0679 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.1409 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.4757 | |
| 551 | L | A | 0.9637 | |
| 552 | G | A | 0.2075 | |
| 553 | S | A | 0.0597 | |
| 554 | G | A | -0.0038 | |
| 555 | L | A | 0.2617 | |
| 556 | F | A | 0.5100 | |
| 557 | T | A | 0.5954 | |
| 558 | Y | A | 0.8885 | |
| 559 | L | A | 0.0000 | |
| 560 | R | A | -0.3473 | |
| 561 | F | A | 0.0000 | |
| 562 | D | A | -1.4934 | |
| 563 | A | A | 0.0000 | |
| 564 | E | A | -1.5226 | |
| 565 | I | A | 0.3235 | |
| 566 | T | A | 0.0000 | |
| 567 | I | A | 0.7417 | |
| 568 | L | A | 0.0000 | |
| 569 | T | A | 0.0366 | |
| 570 | G | A | 0.0000 | |
| 571 | S | A | -0.7557 | |
| 572 | G | A | -1.0225 | |
| 573 | T | A | -1.1304 | |
| 574 | L | A | 0.0000 | |
| 575 | W | A | 0.2391 | |
| 576 | I | A | 0.4416 | |
| 577 | W | A | -0.4644 | |
| 578 | E | A | -2.3131 | |
| 579 | C | A | 0.0000 | |
| 580 | G | A | -1.6982 | |
| 581 | I | A | 0.0000 | |
| 582 | T | A | -1.6265 | |
| 583 | A | A | -1.7103 | |
| 584 | K | A | -1.8478 | |
| 585 | G | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | G | A | -1.7461 | |
| 588 | D | A | -1.6382 | |
| 589 | L | A | -0.8989 | |
| 590 | C | A | 0.0000 | |
| 591 | R | A | -2.2941 | |
| 592 | V | A | 0.0000 | |
| 593 | L | A | 0.0000 | |
| 594 | R | A | -2.8141 | |
| 595 | A | A | -1.2014 | |
| 596 | G | A | -0.8650 | |
| 597 | S | A | -0.3164 | |
| 598 | G | A | -0.1985 | |
| 599 | L | A | 0.0000 | |
| 600 | F | A | 0.0000 | |
| 601 | T | A | 0.6216 | |
| 602 | Y | A | 0.8870 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -1.3130 | |
| 605 | F | A | 0.0000 | |
| 606 | D | A | -3.0307 | |
| 607 | A | A | 0.0000 | |
| 608 | E | A | -2.4840 | |
| 609 | I | A | -0.3916 | |
| 610 | T | A | 0.0000 | |
| 611 | I | A | 1.1706 | |
| 612 | L | A | 0.0000 | |
| 613 | T | A | 0.2024 | |
| 614 | G | A | 0.0000 | |
| 615 | S | A | -0.5431 | |
| 616 | G | A | 0.0000 | |
| 617 | E | A | -1.8231 | |
| 618 | L | A | -0.4734 | |
| 619 | S | A | 0.0000 | |
| 620 | L | A | 0.0000 | |
| 621 | A | A | 0.0000 | |
| 622 | G | A | 0.0000 | |
| 623 | N | A | -2.4379 | |
| 624 | E | A | -2.6305 | |
| 625 | L | A | 0.0000 | |
| 626 | G | A | -1.8627 | |
| 627 | D | A | -1.8732 | |
| 628 | E | A | -2.6846 | |
| 629 | G | A | 0.0000 | |
| 630 | A | A | 0.0000 | |
| 631 | R | A | -2.4908 | |
| 632 | L | A | -1.9193 | |
| 633 | L | A | 0.0000 | |
| 634 | C | A | 0.0000 | |
| 635 | E | A | -2.3607 | |
| 636 | T | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | L | A | -0.9432 | |
| 639 | G | A | -1.3488 | |
| 640 | S | A | -0.8740 | |
| 641 | G | A | -0.3595 | |
| 642 | L | A | 0.0000 | |
| 643 | F | A | 0.0000 | |
| 644 | T | A | 0.1362 | |
| 645 | Y | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | R | A | -2.1166 | |
| 648 | F | A | 0.0000 | |
| 649 | D | A | -3.3323 | |
| 650 | A | A | 0.0000 | |
| 651 | E | A | -2.7250 | |
| 652 | I | A | -0.2012 | |
| 653 | T | A | 0.0000 | |
| 654 | I | A | 1.8547 | |
| 655 | L | A | 0.0000 | |
| 656 | T | A | 0.3757 | |
| 657 | G | A | 0.0000 | |
| 658 | S | A | -0.5332 | |
| 659 | G | A | 0.0000 | |
| 660 | S | A | -0.8024 | |
| 661 | L | A | 0.0000 | |
| 662 | W | A | -0.0500 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | 0.0000 | |
| 665 | S | A | -1.3917 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.4490 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.2434 | |
| 670 | A | A | -1.3072 | |
| 671 | A | A | -0.6377 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -1.0862 | |
| 675 | H | A | -1.2553 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -1.0343 | |
| 678 | S | A | -1.0009 | |
| 679 | V | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | A | A | -0.7743 | |
| 682 | Q | A | -0.8655 | |
| 683 | G | A | -0.9882 | |
| 684 | S | A | -0.5477 | |
| 685 | G | A | 0.0000 | |
| 686 | L | A | 0.0000 | |
| 687 | F | A | 0.0000 | |
| 688 | T | A | 0.0000 | |
| 689 | Y | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | R | A | -2.1581 | |
| 692 | F | A | 0.0000 | |
| 693 | D | A | -4.0154 | |
| 694 | A | A | 0.0000 | |
| 695 | E | A | -3.1423 | |
| 696 | I | A | -0.3121 | |
| 697 | T | A | 0.0000 | |
| 698 | I | A | 2.4572 | |
| 699 | L | A | 0.0000 | |
| 700 | T | A | 0.5020 | |
| 701 | G | A | 0.0000 | |
| 702 | S | A | -0.2606 | |
| 703 | G | A | 0.0000 | |
| 704 | E | A | -0.7203 | |
| 705 | L | A | 0.0000 | |
| 706 | Q | A | -0.2242 | |
| 707 | I | A | 0.0000 | |
| 708 | S | A | -0.6913 | |
| 709 | N | A | -1.7635 | |
| 710 | N | A | 0.0000 | |
| 711 | R | A | -3.2620 | |
| 712 | L | A | 0.0000 | |
| 713 | E | A | -3.4017 | |
| 714 | D | A | -2.5760 | |
| 715 | A | A | -1.7866 | |
| 716 | G | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | R | A | -2.8277 | |
| 719 | E | A | -2.2944 | |
| 720 | L | A | 0.0000 | |
| 721 | C | A | 0.0000 | |
| 722 | Q | A | -1.9151 | |
| 723 | G | A | 0.0000 | |
| 724 | L | A | 0.0000 | |
| 725 | G | A | -0.5656 | |
| 726 | G | A | -0.9230 | |
| 727 | S | A | -0.6398 | |
| 728 | G | A | 0.0000 | |
| 729 | L | A | 0.0000 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.0000 | |
| 732 | Y | A | -0.1380 | |
| 733 | L | A | 0.0000 | |
| 734 | R | A | -2.3187 | |
| 735 | F | A | 0.0000 | |
| 736 | D | A | -3.9513 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -2.8964 | |
| 739 | I | A | 0.0185 | |
| 740 | T | A | 0.0000 | |
| 741 | I | A | 2.4925 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | 0.4973 | |
| 744 | G | A | 0.0000 | |
| 745 | S | A | -0.2671 | |
| 746 | G | A | 0.0000 | |
| 747 | V | A | -0.0816 | |
| 748 | L | A | 0.0000 | |
| 749 | W | A | 0.0577 | |
| 750 | L | A | 0.0000 | |
| 751 | A | A | 0.0000 | |
| 752 | D | A | -2.7047 | |
| 753 | C | A | 0.0000 | |
| 754 | D | A | -3.1445 | |
| 755 | V | A | 0.0000 | |
| 756 | S | A | -1.4077 | |
| 757 | D | A | -1.5135 | |
| 758 | S | A | -1.3051 | |
| 759 | S | A | 0.0000 | |
| 760 | C | A | 0.0000 | |
| 761 | S | A | -0.7870 | |
| 762 | S | A | 0.0000 | |
| 763 | L | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | A | A | 0.1026 | |
| 766 | T | A | 0.0000 | |
| 767 | L | A | 0.0000 | |
| 768 | L | A | 0.2936 | |
| 769 | A | A | 0.4964 | |
| 770 | G | A | 0.4997 | |
| 771 | S | A | 0.3010 | |
| 772 | G | A | 0.0000 | |
| 773 | L | A | 0.0000 | |
| 774 | F | A | 0.0000 | |
| 775 | T | A | 0.0000 | |
| 776 | Y | A | -0.0312 | |
| 777 | L | A | 0.0000 | |
| 778 | R | A | -1.9966 | |
| 779 | F | A | 0.0000 | |
| 780 | D | A | -3.4069 | |
| 781 | A | A | 0.0000 | |
| 782 | E | A | -1.9094 | |
| 783 | I | A | 0.6671 | |
| 784 | T | A | 0.0000 | |
| 785 | I | A | 2.3356 | |
| 786 | L | A | 0.0000 | |
| 787 | T | A | 0.4320 | |
| 788 | G | A | 0.0000 | |
| 789 | S | A | -0.3549 | |
| 790 | G | A | 0.0000 | |
| 791 | E | A | -0.3540 | |
| 792 | L | A | 0.0000 | |
| 793 | D | A | 0.0000 | |
| 794 | L | A | 0.0000 | |
| 795 | S | A | -1.0328 | |
| 796 | N | A | -1.4274 | |
| 797 | N | A | -1.9307 | |
| 798 | C | A | -0.8089 | |
| 799 | L | A | 0.0000 | |
| 800 | G | A | -0.7196 | |
| 801 | D | A | -1.3920 | |
| 802 | A | A | -0.7640 | |
| 803 | G | A | 0.0000 | |
| 804 | I | A | 0.0000 | |
| 805 | L | A | -1.2431 | |
| 806 | Q | A | -1.3540 | |
| 807 | L | A | 0.0000 | |
| 808 | V | A | 0.0000 | |
| 809 | E | A | -2.0668 | |
| 810 | S | A | 0.0000 | |
| 811 | V | A | 0.0000 | |
| 812 | R | A | -2.7697 | |
| 813 | G | A | -1.1854 | |
| 814 | S | A | -0.7620 | |
| 815 | G | A | -0.0363 | |
| 816 | L | A | 0.0000 | |
| 817 | F | A | 0.0000 | |
| 818 | T | A | 0.0000 | |
| 819 | Y | A | 0.2388 | |
| 820 | L | A | 0.0000 | |
| 821 | R | A | -1.9443 | |
| 822 | F | A | 0.0000 | |
| 823 | D | A | -3.7799 | |
| 824 | A | A | 0.0000 | |
| 825 | E | A | -1.9188 | |
| 826 | I | A | 0.7298 | |
| 827 | T | A | 0.0000 | |
| 828 | I | A | 2.7868 | |
| 829 | L | A | 0.0000 | |
| 830 | T | A | 0.7361 | |
| 831 | G | A | 0.0000 | |
| 832 | S | A | -0.8272 | |
| 833 | G | A | 0.0000 | |
| 834 | Q | A | -1.2178 | |
| 835 | L | A | 0.0000 | |
| 836 | V | A | 0.0000 | |
| 837 | L | A | 0.0000 | |
| 838 | Y | A | -0.2514 | |
| 839 | D | A | -1.4537 | |
| 840 | I | A | 0.0000 | |
| 841 | Y | A | 0.4677 | |
| 842 | W | A | -0.8791 | |
| 843 | S | A | -1.9962 | |
| 844 | E | A | -3.6323 | |
| 845 | E | A | -4.2371 | |
| 846 | M | A | 0.0000 | |
| 847 | E | A | -3.4873 | |
| 848 | D | A | -4.5532 | |
| 849 | R | A | -4.0404 | |
| 850 | L | A | 0.0000 | |
| 851 | Q | A | -3.8729 | |
| 852 | A | A | -3.3135 | |
| 853 | L | A | -3.8072 | |
| 854 | E | A | -4.3848 | |
| 855 | K | A | -3.9320 | |
| 856 | D | A | -3.9499 | |
| 857 | G | A | -2.7624 | |
| 858 | S | A | -1.3319 | |
| 859 | G | A | -0.3213 | |
| 860 | L | A | 1.8479 | |
| 861 | F | A | 0.0000 | |
| 862 | T | A | 0.8815 | |
| 863 | Y | A | 1.3035 | |
| 864 | L | A | -0.1682 | |
| 865 | R | A | -2.0641 | |
| 866 | F | A | -1.9433 | |
| 867 | D | A | -2.9809 | |
| 868 | A | A | -1.7008 | |
| 869 | E | A | -1.8208 | |
| 870 | I | A | 1.1857 | |
| 871 | T | A | 1.5836 | |
| 872 | I | A | 3.1055 | |
| 873 | L | A | 2.1823 | |
| 874 | T | A | 1.1735 | |
| 875 | G | A | 0.0000 | |
| 876 | S | A | -1.1663 | |
| 877 | G | A | -2.2855 | |
| 878 | R | A | -2.6360 | |
| 879 | V | A | 0.0000 | |
| 880 | I | A | -0.4556 | |
| 881 | S | A | -0.5026 |
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, -0.4956 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 | -0.4956 | View | CSV | PDB |
| input | -0.5046 | View | CSV | PDB |
| model_4 | -0.5106 | View | CSV | PDB |
| model_2 | -0.5122 | View | CSV | PDB |
| model_5 | -0.5342 | View | CSV | PDB |
| CABS_average | -0.5506 | View | CSV | PDB |
| model_3 | -0.5535 | View | CSV | PDB |
| model_9 | -0.5542 | View | CSV | PDB |
| model_8 | -0.5549 | View | CSV | PDB |
| model_0 | -0.5689 | View | CSV | PDB |
| model_6 | -0.5692 | View | CSV | PDB |
| model_11 | -0.5784 | View | CSV | PDB |
| model_1 | -0.5844 | View | CSV | PDB |
| model_7 | -0.5913 | 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