Project name: C22_B3_EF_E18_EF_GSG
Status: done
Started: 2026-07-21 11:06:05
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGEAEMGCATLDNTPSSAELLGGSGVRLDDCGLTEARCKDISSALRVGSGEAEMGCATLDNTPSSAELLGGSGELNLRSNELGDVGVHCVLQGLQGSGEAEMGCATLDNTPSSAELLGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGEAEMGCATLDNTPSSAELLGGSGELHLSDNLLGDAGLQLLCEGLLGSGEAEMGCATLDNTPSSAELLGGSGKLQLEYCSLSAASCEPLASVLRAGSGEAEMGCATLDNTPSSAELLGGSGELTVSNNDINEAGVRVLCQGLKDGSGEAEMGCATLDNTPSSAELLGGSGALKLESCGVTSDNCRDLCGIVASGSGEAEMGCATLDNTPSSAELLGGSGELALGSNKLGDVGMAELCPGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGRVIS
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 (00:10:27)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:14:46)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:14:54)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:15:01)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:15:08)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:15:16)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:15:23)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:15:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:15:38)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:15:46)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:15:53)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:16:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:16:08)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:16:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:16:33)
[INFO] Main: Simulation completed successfully. (03:16:41)
|
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
- -4.3215
- Maximal score value
- 3.0363
- Average score
- -0.4787
- Total score value
- -440.8783
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 | 0.3384 | |
| 2 | L | A | 0.9892 | |
| 3 | D | A | -0.5296 | |
| 4 | I | A | 1.0064 | |
| 5 | Q | A | -0.6701 | |
| 6 | S | A | -0.8719 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.1325 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2547 | |
| 11 | C | A | -1.2952 | |
| 12 | E | A | -2.2257 | |
| 13 | E | A | -2.9721 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0570 | |
| 16 | D | A | -2.4932 | |
| 17 | A | A | -1.5884 | |
| 18 | R | A | -2.0135 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4441 | |
| 21 | E | A | -2.1144 | |
| 22 | L | A | -0.9359 | |
| 23 | L | A | -0.5463 | |
| 24 | P | A | -0.5769 | |
| 25 | L | A | 0.0424 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.8573 | |
| 28 | G | A | -0.8217 | |
| 29 | S | A | -0.8093 | |
| 30 | G | A | -1.2755 | |
| 31 | E | A | -2.3054 | |
| 32 | A | A | -1.6582 | |
| 33 | E | A | -1.4940 | |
| 34 | M | A | -0.7519 | |
| 35 | G | A | -0.3117 | |
| 36 | C | A | -0.2328 | |
| 37 | A | A | 0.0825 | |
| 38 | T | A | -0.8079 | |
| 39 | L | A | -1.6145 | |
| 40 | D | A | -2.8745 | |
| 41 | N | A | -2.5034 | |
| 42 | T | A | -1.4613 | |
| 43 | P | A | -1.0571 | |
| 44 | S | A | -0.6010 | |
| 45 | S | A | -1.0066 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -1.9409 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.7162 | |
| 50 | G | A | 0.2710 | |
| 51 | G | A | -0.1036 | |
| 52 | S | A | -0.5215 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.7503 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -2.1379 | |
| 58 | D | A | -2.6571 | |
| 59 | C | A | 0.0000 | |
| 60 | G | A | -2.0245 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.4375 | |
| 63 | E | A | -1.7889 | |
| 64 | A | A | -1.0733 | |
| 65 | R | A | -1.6028 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -2.2149 | |
| 68 | D | A | -1.7790 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | S | A | -1.1274 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -1.7723 | |
| 75 | V | A | -0.3687 | |
| 76 | G | A | -1.5515 | |
| 77 | S | A | -1.1472 | |
| 78 | G | A | -1.6200 | |
| 79 | E | A | -2.2473 | |
| 80 | A | A | -1.5637 | |
| 81 | E | A | -1.1246 | |
| 82 | M | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.7688 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -3.2313 | |
| 89 | N | A | -2.3542 | |
| 90 | T | A | -1.4221 | |
| 91 | P | A | 0.0000 | |
| 92 | S | A | -0.5331 | |
| 93 | S | A | -0.9998 | |
| 94 | A | A | 0.0000 | |
| 95 | E | A | -1.7413 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | 0.2271 | |
| 98 | G | A | 0.4080 | |
| 99 | G | A | 0.1711 | |
| 100 | S | A | -0.4405 | |
| 101 | G | A | 0.0000 | |
| 102 | E | A | -0.5386 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -1.6854 | |
| 107 | S | A | -1.7700 | |
| 108 | N | A | 0.0000 | |
| 109 | E | A | -2.5330 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.5791 | |
| 112 | D | A | 0.0158 | |
| 113 | V | A | 0.9664 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.2349 | |
| 117 | C | A | -0.6027 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.0101 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.2353 | |
| 124 | G | A | -1.3487 | |
| 125 | S | A | -0.9873 | |
| 126 | G | A | -1.3706 | |
| 127 | E | A | -1.8421 | |
| 128 | A | A | -1.2415 | |
| 129 | E | A | -0.7709 | |
| 130 | M | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | T | A | -0.9546 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -3.1311 | |
| 137 | N | A | -2.1395 | |
| 138 | T | A | -1.2382 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.4701 | |
| 141 | S | A | -0.8351 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.6382 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.2593 | |
| 146 | G | A | 0.2215 | |
| 147 | G | A | 0.0000 | |
| 148 | S | A | -0.3323 | |
| 149 | G | A | 0.0000 | |
| 150 | K | A | -0.5599 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -0.9147 | |
| 155 | N | A | -1.4027 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | -0.4563 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | 0.4549 | |
| 160 | G | A | 0.1205 | |
| 161 | A | A | 0.3368 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.1647 | |
| 165 | V | A | 0.1252 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -0.3690 | |
| 168 | S | A | -0.5793 | |
| 169 | T | A | -0.5301 | |
| 170 | L | A | -0.5944 | |
| 171 | R | A | -1.7074 | |
| 172 | T | A | -1.1182 | |
| 173 | G | A | -1.4365 | |
| 174 | S | A | -0.9942 | |
| 175 | G | A | -1.2795 | |
| 176 | E | A | -1.6468 | |
| 177 | A | A | -1.0537 | |
| 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 | -0.9162 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -3.1216 | |
| 186 | N | A | -2.1134 | |
| 187 | T | A | -1.2197 | |
| 188 | P | A | 0.0000 | |
| 189 | S | A | -0.4429 | |
| 190 | S | A | -0.7724 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -1.5084 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.2889 | |
| 195 | G | A | 0.2057 | |
| 196 | G | A | 0.0254 | |
| 197 | S | A | -0.3105 | |
| 198 | G | A | 0.0000 | |
| 199 | E | A | -0.5893 | |
| 200 | L | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | D | A | -0.3240 | |
| 205 | N | A | 0.0000 | |
| 206 | L | A | 1.4468 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | 0.0848 | |
| 209 | D | A | -0.5076 | |
| 210 | A | A | -0.2855 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -0.8863 | |
| 214 | L | A | -0.0418 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.0911 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | -0.2369 | |
| 220 | L | A | -0.3256 | |
| 221 | G | A | -0.9472 | |
| 222 | S | A | -0.8815 | |
| 223 | G | A | -1.2649 | |
| 224 | E | A | -1.4811 | |
| 225 | A | A | -0.8042 | |
| 226 | E | A | 0.0000 | |
| 227 | M | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | T | A | -0.8995 | |
| 232 | L | A | 0.0000 | |
| 233 | D | A | -3.0833 | |
| 234 | N | A | -2.0901 | |
| 235 | T | A | -1.2017 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.4473 | |
| 238 | S | A | -0.7892 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -1.4056 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.2489 | |
| 243 | G | A | 0.2265 | |
| 244 | G | A | 0.0702 | |
| 245 | S | A | -0.3060 | |
| 246 | G | A | 0.0000 | |
| 247 | K | A | -0.6262 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -0.4428 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.1708 | |
| 252 | Y | A | 0.6469 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -0.0657 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.0157 | |
| 257 | A | A | -1.0860 | |
| 258 | A | A | -0.5257 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.5056 | |
| 262 | P | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -0.7521 | |
| 266 | V | A | -0.3098 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -1.5327 | |
| 269 | A | A | -0.8465 | |
| 270 | G | A | -1.0611 | |
| 271 | S | A | -0.9066 | |
| 272 | G | A | -1.1369 | |
| 273 | E | A | -1.6672 | |
| 274 | A | A | -0.7987 | |
| 275 | E | A | 0.0000 | |
| 276 | M | A | -0.1921 | |
| 277 | G | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | T | A | -0.7721 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -2.8112 | |
| 283 | N | A | -1.9319 | |
| 284 | T | A | -1.0834 | |
| 285 | P | A | 0.0000 | |
| 286 | S | A | -0.4370 | |
| 287 | S | A | -0.7751 | |
| 288 | A | A | 0.0000 | |
| 289 | E | A | -1.5158 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.3453 | |
| 292 | G | A | 0.1921 | |
| 293 | G | A | 0.0444 | |
| 294 | S | A | -0.3010 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -0.6353 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -0.7416 | |
| 302 | N | A | 0.0000 | |
| 303 | D | A | -2.1390 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -1.8891 | |
| 306 | E | A | -2.0096 | |
| 307 | A | A | -1.1402 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.5379 | |
| 311 | V | A | -1.0872 | |
| 312 | L | A | 0.0000 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -1.8904 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -2.1175 | |
| 318 | D | A | -2.6403 | |
| 319 | G | A | 0.0000 | |
| 320 | S | A | -1.9420 | |
| 321 | G | A | -2.0007 | |
| 322 | E | A | -1.7659 | |
| 323 | A | A | -1.2659 | |
| 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 | -0.7333 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | -2.3918 | |
| 332 | N | A | -1.8284 | |
| 333 | T | A | -1.1726 | |
| 334 | P | A | 0.0000 | |
| 335 | S | A | -0.4511 | |
| 336 | S | A | -0.7058 | |
| 337 | A | A | 0.0000 | |
| 338 | E | A | -0.8501 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.3883 | |
| 341 | G | A | 0.1794 | |
| 342 | G | A | -0.0993 | |
| 343 | S | A | -0.6039 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.7383 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | -0.7159 | |
| 350 | S | A | -1.2206 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -1.5779 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -1.5073 | |
| 355 | S | A | -1.3753 | |
| 356 | D | A | -2.5577 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.6517 | |
| 360 | D | A | -1.9984 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | -0.6425 | |
| 363 | G | A | -0.7330 | |
| 364 | I | A | -0.2224 | |
| 365 | V | A | 0.2547 | |
| 366 | A | A | -0.1426 | |
| 367 | S | A | -0.8180 | |
| 368 | G | A | -1.0802 | |
| 369 | S | A | -1.0657 | |
| 370 | G | A | -1.9165 | |
| 371 | E | A | -3.0239 | |
| 372 | A | A | -1.9216 | |
| 373 | E | A | -1.0113 | |
| 374 | M | A | -0.4117 | |
| 375 | G | A | 0.0000 | |
| 376 | C | A | -0.1116 | |
| 377 | A | A | 0.2147 | |
| 378 | T | A | -0.4732 | |
| 379 | L | A | -1.0220 | |
| 380 | D | A | -2.3625 | |
| 381 | N | A | -1.8083 | |
| 382 | T | A | -0.9539 | |
| 383 | P | A | -0.7074 | |
| 384 | S | A | -0.3585 | |
| 385 | S | A | -0.1370 | |
| 386 | A | A | -0.4647 | |
| 387 | E | A | -0.3295 | |
| 388 | L | A | 0.7666 | |
| 389 | L | A | 0.9505 | |
| 390 | G | A | 0.3285 | |
| 391 | G | A | -0.4007 | |
| 392 | S | A | -1.1392 | |
| 393 | G | A | -1.0577 | |
| 394 | E | A | -1.2490 | |
| 395 | L | A | -0.3973 | |
| 396 | A | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | -1.2908 | |
| 400 | N | A | 0.0000 | |
| 401 | K | A | -2.0752 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -0.9308 | |
| 404 | D | A | -0.4355 | |
| 405 | V | A | 0.5382 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.4480 | |
| 409 | E | A | -1.1740 | |
| 410 | L | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.6846 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.2485 | |
| 415 | L | A | -0.2888 | |
| 416 | G | A | -0.5434 | |
| 417 | S | A | -0.3418 | |
| 418 | G | A | -0.0916 | |
| 419 | P | A | 1.0226 | |
| 420 | V | A | 1.9592 | |
| 421 | L | A | 2.3858 | |
| 422 | T | A | 1.0486 | |
| 423 | H | A | -0.5031 | |
| 424 | Q | A | -0.5997 | |
| 425 | I | A | 0.5609 | |
| 426 | M | A | 0.5467 | |
| 427 | Y | A | 1.1485 | |
| 428 | V | A | 0.8653 | |
| 429 | P | A | 0.2190 | |
| 430 | P | A | -0.4089 | |
| 431 | G | A | -0.4199 | |
| 432 | G | A | 0.0863 | |
| 433 | P | A | 0.3248 | |
| 434 | I | A | 1.4991 | |
| 435 | P | A | 0.0000 | |
| 436 | A | A | -0.3883 | |
| 437 | K | A | -1.2492 | |
| 438 | V | A | 0.0880 | |
| 439 | D | A | -1.5552 | |
| 440 | S | A | -0.7355 | |
| 441 | Y | A | -0.3750 | |
| 442 | E | A | -0.8650 | |
| 443 | W | A | 0.0443 | |
| 444 | Q | A | 0.3297 | |
| 445 | T | A | 0.3539 | |
| 446 | S | A | 0.1128 | |
| 447 | T | A | -0.5055 | |
| 448 | N | A | -1.1760 | |
| 449 | P | A | -0.5525 | |
| 450 | S | A | 0.5303 | |
| 451 | V | A | 2.1391 | |
| 452 | F | A | 1.4560 | |
| 453 | W | A | 1.2487 | |
| 454 | T | A | 0.0718 | |
| 455 | E | A | -1.8929 | |
| 456 | G | A | -1.5434 | |
| 457 | S | A | -1.7101 | |
| 458 | G | A | -1.4343 | |
| 459 | T | A | -0.8014 | |
| 460 | L | A | -0.1466 | |
| 461 | W | A | 0.0589 | |
| 462 | I | A | 0.0000 | |
| 463 | W | A | -0.7022 | |
| 464 | E | A | -2.4761 | |
| 465 | C | A | 0.0000 | |
| 466 | G | A | -1.9703 | |
| 467 | I | A | 0.0000 | |
| 468 | T | A | -1.6423 | |
| 469 | A | A | -1.8535 | |
| 470 | K | A | -1.9509 | |
| 471 | G | A | 0.0000 | |
| 472 | C | A | 0.0000 | |
| 473 | G | A | -1.7366 | |
| 474 | D | A | -1.7958 | |
| 475 | L | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | R | A | -2.5853 | |
| 478 | V | A | 0.0000 | |
| 479 | L | A | -1.1406 | |
| 480 | R | A | -2.3951 | |
| 481 | A | A | -1.4881 | |
| 482 | G | A | -0.9454 | |
| 483 | S | A | -1.0676 | |
| 484 | G | A | -0.4307 | |
| 485 | P | A | 1.2813 | |
| 486 | V | A | 3.0363 | |
| 487 | L | A | 2.4272 | |
| 488 | T | A | 0.9524 | |
| 489 | H | A | -0.5553 | |
| 490 | Q | A | -0.3036 | |
| 491 | I | A | 0.3660 | |
| 492 | M | A | 0.1963 | |
| 493 | Y | A | 0.3037 | |
| 494 | V | A | 0.2361 | |
| 495 | P | A | -0.1431 | |
| 496 | P | A | -0.5752 | |
| 497 | G | A | -0.4634 | |
| 498 | G | A | -0.0925 | |
| 499 | P | A | 0.3240 | |
| 500 | I | A | 1.2190 | |
| 501 | P | A | 0.0000 | |
| 502 | A | A | -0.4969 | |
| 503 | K | A | -1.4116 | |
| 504 | V | A | -0.2788 | |
| 505 | D | A | -1.4161 | |
| 506 | S | A | -0.9121 | |
| 507 | Y | A | -0.4003 | |
| 508 | E | A | -0.6718 | |
| 509 | W | A | 0.0000 | |
| 510 | Q | A | 0.1762 | |
| 511 | T | A | 0.2572 | |
| 512 | S | A | 0.0773 | |
| 513 | T | A | -0.4097 | |
| 514 | N | A | -0.7730 | |
| 515 | P | A | -0.2932 | |
| 516 | S | A | 0.5035 | |
| 517 | V | A | 1.4668 | |
| 518 | F | A | 0.0000 | |
| 519 | W | A | 0.8290 | |
| 520 | T | A | -0.1684 | |
| 521 | E | A | -1.4600 | |
| 522 | G | A | -1.7271 | |
| 523 | S | A | -1.6294 | |
| 524 | G | A | -1.1473 | |
| 525 | E | A | -1.0196 | |
| 526 | L | A | -0.0726 | |
| 527 | S | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | A | A | 0.0000 | |
| 530 | G | A | -1.6231 | |
| 531 | N | A | 0.0000 | |
| 532 | E | A | -2.3846 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | -1.4036 | |
| 535 | D | A | -1.5159 | |
| 536 | E | A | -1.8249 | |
| 537 | G | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | R | A | -1.5729 | |
| 540 | L | A | -1.3590 | |
| 541 | L | A | 0.0000 | |
| 542 | C | A | 0.0000 | |
| 543 | E | A | -1.5489 | |
| 544 | T | A | 0.0000 | |
| 545 | L | A | -0.2556 | |
| 546 | L | A | -0.4892 | |
| 547 | G | A | -0.9839 | |
| 548 | S | A | -0.6906 | |
| 549 | G | A | -0.2222 | |
| 550 | P | A | 0.7960 | |
| 551 | V | A | 2.5918 | |
| 552 | L | A | 2.5009 | |
| 553 | T | A | 0.8837 | |
| 554 | H | A | -0.4992 | |
| 555 | Q | A | -0.5447 | |
| 556 | I | A | 0.0246 | |
| 557 | M | A | 0.0000 | |
| 558 | Y | A | 0.2629 | |
| 559 | V | A | 0.1575 | |
| 560 | P | A | -0.1736 | |
| 561 | P | A | -0.5895 | |
| 562 | G | A | -0.4939 | |
| 563 | G | A | -0.1433 | |
| 564 | P | A | 0.2293 | |
| 565 | I | A | 0.9858 | |
| 566 | P | A | 0.0000 | |
| 567 | A | A | -0.4921 | |
| 568 | K | A | -1.2984 | |
| 569 | V | A | -0.2043 | |
| 570 | D | A | -1.2536 | |
| 571 | S | A | -0.7121 | |
| 572 | Y | A | -0.2468 | |
| 573 | E | A | -0.4594 | |
| 574 | W | A | 0.0000 | |
| 575 | Q | A | 0.1673 | |
| 576 | T | A | 0.2239 | |
| 577 | S | A | -0.0292 | |
| 578 | T | A | -0.3957 | |
| 579 | N | A | -0.7455 | |
| 580 | P | A | -0.3542 | |
| 581 | S | A | 0.3500 | |
| 582 | V | A | 1.3139 | |
| 583 | F | A | 0.9928 | |
| 584 | W | A | 0.7084 | |
| 585 | T | A | -0.0269 | |
| 586 | E | A | -1.0467 | |
| 587 | G | A | -1.3266 | |
| 588 | S | A | -1.3121 | |
| 589 | G | A | -1.1122 | |
| 590 | S | A | -0.6658 | |
| 591 | L | A | -0.2625 | |
| 592 | W | A | -0.0080 | |
| 593 | V | A | 0.0000 | |
| 594 | K | A | -1.1482 | |
| 595 | S | A | -1.7593 | |
| 596 | C | A | 0.0000 | |
| 597 | S | A | -1.5372 | |
| 598 | F | A | 0.0000 | |
| 599 | T | A | -1.1030 | |
| 600 | A | A | -1.0066 | |
| 601 | A | A | -0.7223 | |
| 602 | C | A | 0.0000 | |
| 603 | C | A | 0.0000 | |
| 604 | S | A | -0.6368 | |
| 605 | H | A | -0.6711 | |
| 606 | F | A | 0.0000 | |
| 607 | S | A | 0.0000 | |
| 608 | S | A | -0.5768 | |
| 609 | V | A | -0.1897 | |
| 610 | L | A | -0.3281 | |
| 611 | A | A | -0.9196 | |
| 612 | Q | A | -1.3197 | |
| 613 | G | A | -1.0044 | |
| 614 | S | A | -0.7419 | |
| 615 | G | A | -0.3527 | |
| 616 | P | A | 0.8974 | |
| 617 | V | A | 1.7230 | |
| 618 | L | A | 2.0309 | |
| 619 | T | A | 0.5334 | |
| 620 | H | A | -0.7490 | |
| 621 | Q | A | -0.3900 | |
| 622 | I | A | -0.0390 | |
| 623 | M | A | 0.0802 | |
| 624 | Y | A | 0.2601 | |
| 625 | V | A | 0.2506 | |
| 626 | P | A | -0.1318 | |
| 627 | P | A | -0.5577 | |
| 628 | G | A | -0.4834 | |
| 629 | G | A | -0.2050 | |
| 630 | P | A | 0.2292 | |
| 631 | I | A | 0.9948 | |
| 632 | P | A | 0.0000 | |
| 633 | A | A | -0.4563 | |
| 634 | K | A | -1.2710 | |
| 635 | V | A | -0.1485 | |
| 636 | D | A | -1.2807 | |
| 637 | S | A | -0.7846 | |
| 638 | Y | A | -0.4613 | |
| 639 | E | A | -0.4700 | |
| 640 | W | A | 0.0000 | |
| 641 | Q | A | 0.0889 | |
| 642 | T | A | 0.1966 | |
| 643 | S | A | -0.0488 | |
| 644 | T | A | -0.3916 | |
| 645 | N | A | -0.8191 | |
| 646 | P | A | -0.2642 | |
| 647 | S | A | 0.5437 | |
| 648 | V | A | 1.7102 | |
| 649 | F | A | 0.0000 | |
| 650 | W | A | 0.7931 | |
| 651 | T | A | 0.0202 | |
| 652 | E | A | -0.9010 | |
| 653 | G | A | -1.1691 | |
| 654 | S | A | -1.1740 | |
| 655 | G | A | -0.9546 | |
| 656 | E | A | -0.7492 | |
| 657 | L | A | 0.0000 | |
| 658 | Q | A | -0.3341 | |
| 659 | I | A | 0.0000 | |
| 660 | S | A | -1.6202 | |
| 661 | N | A | -2.5110 | |
| 662 | N | A | 0.0000 | |
| 663 | R | A | -3.2616 | |
| 664 | L | A | 0.0000 | |
| 665 | E | A | -2.8804 | |
| 666 | D | A | -1.8034 | |
| 667 | A | A | -0.8239 | |
| 668 | G | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | R | A | -1.4778 | |
| 671 | E | A | -1.2853 | |
| 672 | L | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | Q | A | -1.6749 | |
| 675 | G | A | 0.0000 | |
| 676 | L | A | -0.7767 | |
| 677 | G | A | -0.9132 | |
| 678 | G | A | -1.3092 | |
| 679 | S | A | -0.9044 | |
| 680 | G | A | -0.2975 | |
| 681 | P | A | 0.9995 | |
| 682 | V | A | 2.3688 | |
| 683 | L | A | 2.3470 | |
| 684 | T | A | 0.9280 | |
| 685 | H | A | -0.5982 | |
| 686 | Q | A | -0.4078 | |
| 687 | I | A | -0.0009 | |
| 688 | M | A | 0.2002 | |
| 689 | Y | A | 0.1380 | |
| 690 | V | A | 0.1995 | |
| 691 | P | A | -0.1596 | |
| 692 | P | A | -0.5555 | |
| 693 | G | A | -0.5491 | |
| 694 | G | A | -0.2637 | |
| 695 | P | A | 0.1204 | |
| 696 | I | A | 0.7581 | |
| 697 | P | A | 0.0000 | |
| 698 | A | A | -0.5536 | |
| 699 | K | A | -1.4336 | |
| 700 | V | A | -0.4465 | |
| 701 | D | A | -1.3847 | |
| 702 | S | A | -0.8412 | |
| 703 | Y | A | -0.4014 | |
| 704 | E | A | -0.4137 | |
| 705 | W | A | 0.0000 | |
| 706 | Q | A | 0.0000 | |
| 707 | T | A | 0.3068 | |
| 708 | S | A | 0.0507 | |
| 709 | T | A | -0.2532 | |
| 710 | N | A | -0.5868 | |
| 711 | P | A | -0.1883 | |
| 712 | S | A | 0.5537 | |
| 713 | V | A | 1.5890 | |
| 714 | F | A | 1.1700 | |
| 715 | W | A | 0.7816 | |
| 716 | T | A | 0.0614 | |
| 717 | E | A | -1.0632 | |
| 718 | G | A | -1.2345 | |
| 719 | S | A | -1.1179 | |
| 720 | G | A | -0.7822 | |
| 721 | V | A | -0.2546 | |
| 722 | L | A | 0.0284 | |
| 723 | W | A | -0.1223 | |
| 724 | L | A | 0.0000 | |
| 725 | A | A | -1.4690 | |
| 726 | D | A | -3.2770 | |
| 727 | C | A | 0.0000 | |
| 728 | D | A | -3.3643 | |
| 729 | V | A | 0.0000 | |
| 730 | S | A | -0.8640 | |
| 731 | D | A | -0.8665 | |
| 732 | S | A | -0.8455 | |
| 733 | S | A | 0.0000 | |
| 734 | C | A | 0.0000 | |
| 735 | S | A | -0.5400 | |
| 736 | S | A | -0.6822 | |
| 737 | L | A | 0.0000 | |
| 738 | A | A | 0.0000 | |
| 739 | A | A | 0.0685 | |
| 740 | T | A | -0.1600 | |
| 741 | L | A | 0.4651 | |
| 742 | L | A | 0.1625 | |
| 743 | A | A | -0.0987 | |
| 744 | G | A | -0.4696 | |
| 745 | S | A | 0.0077 | |
| 746 | G | A | 0.4028 | |
| 747 | P | A | 1.4275 | |
| 748 | V | A | 2.5544 | |
| 749 | L | A | 2.6088 | |
| 750 | T | A | 1.0407 | |
| 751 | H | A | -0.5512 | |
| 752 | Q | A | -0.4450 | |
| 753 | I | A | -0.0147 | |
| 754 | M | A | 0.1854 | |
| 755 | Y | A | 0.1467 | |
| 756 | V | A | 0.0285 | |
| 757 | P | A | -0.1918 | |
| 758 | P | A | -0.6083 | |
| 759 | G | A | -0.5781 | |
| 760 | G | A | -0.2775 | |
| 761 | P | A | -0.1165 | |
| 762 | I | A | 0.3565 | |
| 763 | P | A | 0.0000 | |
| 764 | A | A | -0.6840 | |
| 765 | K | A | -1.4985 | |
| 766 | V | A | -0.4161 | |
| 767 | D | A | -1.4185 | |
| 768 | S | A | -0.9770 | |
| 769 | Y | A | -0.3610 | |
| 770 | E | A | -0.7685 | |
| 771 | W | A | 0.0000 | |
| 772 | Q | A | 0.1055 | |
| 773 | T | A | -0.0328 | |
| 774 | S | A | -0.0381 | |
| 775 | T | A | -0.3379 | |
| 776 | N | A | -0.7790 | |
| 777 | P | A | -0.2794 | |
| 778 | S | A | 0.4266 | |
| 779 | V | A | 1.5565 | |
| 780 | F | A | 1.2995 | |
| 781 | W | A | 0.7681 | |
| 782 | T | A | 0.1559 | |
| 783 | E | A | -1.0407 | |
| 784 | G | A | -1.1849 | |
| 785 | S | A | -1.2134 | |
| 786 | G | A | -0.9109 | |
| 787 | E | A | -0.5416 | |
| 788 | L | A | 0.0000 | |
| 789 | D | A | 0.0000 | |
| 790 | L | A | 0.0000 | |
| 791 | S | A | 0.0000 | |
| 792 | N | A | -1.5430 | |
| 793 | N | A | 0.0000 | |
| 794 | C | A | -0.1708 | |
| 795 | L | A | 0.0000 | |
| 796 | G | A | -0.1973 | |
| 797 | D | A | -1.2948 | |
| 798 | A | A | -0.6370 | |
| 799 | G | A | 0.0000 | |
| 800 | I | A | 0.0000 | |
| 801 | L | A | -0.9615 | |
| 802 | Q | A | -1.4245 | |
| 803 | L | A | 0.0000 | |
| 804 | V | A | 0.0000 | |
| 805 | E | A | -2.4034 | |
| 806 | S | A | 0.0000 | |
| 807 | V | A | -1.2768 | |
| 808 | R | A | -2.7139 | |
| 809 | G | A | -1.6393 | |
| 810 | S | A | -0.8936 | |
| 811 | G | A | -0.2080 | |
| 812 | P | A | 1.0814 | |
| 813 | V | A | 2.8122 | |
| 814 | L | A | 2.6622 | |
| 815 | T | A | 1.0603 | |
| 816 | H | A | -0.6516 | |
| 817 | Q | A | -0.5752 | |
| 818 | I | A | 0.0594 | |
| 819 | M | A | 0.1648 | |
| 820 | Y | A | 0.1172 | |
| 821 | V | A | 0.1452 | |
| 822 | P | A | -0.0764 | |
| 823 | P | A | -0.5504 | |
| 824 | G | A | -0.4327 | |
| 825 | G | A | -0.1646 | |
| 826 | P | A | 0.3363 | |
| 827 | I | A | 1.2322 | |
| 828 | P | A | 0.0000 | |
| 829 | A | A | -0.4353 | |
| 830 | K | A | -1.2991 | |
| 831 | V | A | -0.2446 | |
| 832 | D | A | -1.3144 | |
| 833 | S | A | -0.8002 | |
| 834 | Y | A | -0.3386 | |
| 835 | E | A | -0.6577 | |
| 836 | W | A | 0.0000 | |
| 837 | Q | A | 0.0753 | |
| 838 | T | A | 0.1893 | |
| 839 | S | A | 0.0322 | |
| 840 | T | A | -0.3119 | |
| 841 | N | A | -0.7777 | |
| 842 | P | A | -0.3745 | |
| 843 | S | A | 0.3856 | |
| 844 | V | A | 1.5384 | |
| 845 | F | A | 1.6031 | |
| 846 | W | A | 0.9712 | |
| 847 | T | A | -0.1316 | |
| 848 | E | A | -1.5562 | |
| 849 | G | A | -1.5871 | |
| 850 | S | A | -1.7805 | |
| 851 | G | A | -1.5694 | |
| 852 | Q | A | -1.1378 | |
| 853 | L | A | 0.0000 | |
| 854 | V | A | 0.2988 | |
| 855 | L | A | 0.0000 | |
| 856 | Y | A | 0.7005 | |
| 857 | D | A | -0.9088 | |
| 858 | I | A | 0.0000 | |
| 859 | Y | A | 0.7888 | |
| 860 | W | A | -0.4161 | |
| 861 | S | A | -1.9121 | |
| 862 | E | A | -3.4754 | |
| 863 | E | A | -3.8901 | |
| 864 | M | A | 0.0000 | |
| 865 | E | A | -3.3141 | |
| 866 | D | A | -4.2202 | |
| 867 | R | A | -3.5436 | |
| 868 | L | A | 0.0000 | |
| 869 | Q | A | -3.4467 | |
| 870 | A | A | -3.0236 | |
| 871 | L | A | -3.5900 | |
| 872 | E | A | -4.3215 | |
| 873 | K | A | -3.9145 | |
| 874 | D | A | -3.6491 | |
| 875 | G | A | -3.5058 | |
| 876 | S | A | -1.8928 | |
| 877 | G | A | -0.9233 | |
| 878 | P | A | 0.5011 | |
| 879 | V | A | 2.1895 | |
| 880 | L | A | 2.1937 | |
| 881 | T | A | 0.8850 | |
| 882 | H | A | -0.8892 | |
| 883 | Q | A | -1.1964 | |
| 884 | I | A | -0.4068 | |
| 885 | M | A | -0.4448 | |
| 886 | Y | A | 0.0263 | |
| 887 | V | A | 0.0009 | |
| 888 | P | A | -0.1789 | |
| 889 | P | A | -0.5633 | |
| 890 | G | A | -0.4914 | |
| 891 | G | A | -0.1280 | |
| 892 | P | A | 0.0850 | |
| 893 | I | A | 0.8426 | |
| 894 | P | A | 0.0000 | |
| 895 | A | A | -0.5904 | |
| 896 | K | A | -1.3067 | |
| 897 | V | A | -0.1862 | |
| 898 | D | A | -1.4959 | |
| 899 | S | A | -1.0911 | |
| 900 | Y | A | -0.3635 | |
| 901 | E | A | -1.5751 | |
| 902 | W | A | 0.0000 | |
| 903 | Q | A | -1.6101 | |
| 904 | T | A | -0.9129 | |
| 905 | S | A | -0.5722 | |
| 906 | T | A | -0.3863 | |
| 907 | N | A | -0.7087 | |
| 908 | P | A | -0.4164 | |
| 909 | S | A | 0.0057 | |
| 910 | V | A | 1.3106 | |
| 911 | F | A | 1.3972 | |
| 912 | W | A | 1.2747 | |
| 913 | T | A | -0.1150 | |
| 914 | E | A | -1.8348 | |
| 915 | G | A | -1.8982 | |
| 916 | S | A | -2.2129 | |
| 917 | G | A | -2.3141 | |
| 918 | R | A | -2.3838 | |
| 919 | V | A | -0.8203 | |
| 920 | I | A | 0.2862 | |
| 921 | S | A | 0.2928 |
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, -0.4787 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 | -0.4787 | View | CSV | PDB |
| model_6 | -0.5133 | View | CSV | PDB |
| model_11 | -0.5322 | View | CSV | PDB |
| model_10 | -0.5417 | View | CSV | PDB |
| model_4 | -0.5444 | View | CSV | PDB |
| model_1 | -0.5508 | View | CSV | PDB |
| model_5 | -0.5539 | View | CSV | PDB |
| CABS_average | -0.5549 | View | CSV | PDB |
| model_9 | -0.5586 | View | CSV | PDB |
| model_8 | -0.56 | View | CSV | PDB |
| model_0 | -0.5686 | View | CSV | PDB |
| model_7 | -0.5695 | View | CSV | PDB |
| model_2 | -0.5786 | View | CSV | PDB |
| model_3 | -0.5868 | 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