Project name: C23_B3_EF_E30_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:53:40
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLHPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLTPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:14:05)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:35:36)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:35:42)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:35:49)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:35:56)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:36:02)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:36:08)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:36:15)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:36:21)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:36:27)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:36:34)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:36:41)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:36:47)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:36:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:37:10)
[INFO] Main: Simulation completed successfully. (03:37:17)
|
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
- -4.068
- Maximal score value
- 3.6815
- Average score
- -0.46
- Total score value
- -379.5048
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 | 0.1399 | |
| 2 | L | A | 0.6673 | |
| 3 | D | A | -1.2116 | |
| 4 | I | A | -0.5859 | |
| 5 | Q | A | -1.4058 | |
| 6 | S | A | -1.4252 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.6108 | |
| 9 | I | A | -1.9599 | |
| 10 | Q | A | -2.3359 | |
| 11 | C | A | -1.2213 | |
| 12 | E | A | -2.0969 | |
| 13 | E | A | -2.9368 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1120 | |
| 16 | D | A | -2.5345 | |
| 17 | A | A | -1.6631 | |
| 18 | R | A | -2.1826 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.3455 | |
| 21 | E | A | -2.0143 | |
| 22 | L | A | -0.8982 | |
| 23 | L | A | -0.5216 | |
| 24 | P | A | -0.7200 | |
| 25 | L | A | -0.2529 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.1861 | |
| 28 | E | A | -1.5271 | |
| 29 | A | A | -0.7930 | |
| 30 | E | A | -1.0205 | |
| 31 | M | A | 0.2009 | |
| 32 | G | A | 0.4870 | |
| 33 | C | A | 0.3939 | |
| 34 | A | A | 0.4452 | |
| 35 | T | A | 0.2588 | |
| 36 | L | A | 0.3982 | |
| 37 | D | A | -1.9973 | |
| 38 | N | A | -1.8706 | |
| 39 | T | A | -1.3363 | |
| 40 | P | A | -0.8710 | |
| 41 | S | A | -0.7433 | |
| 42 | S | A | -0.9130 | |
| 43 | A | A | -0.9844 | |
| 44 | E | A | -1.9444 | |
| 45 | L | A | -0.6558 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -1.0870 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.2981 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | 0.0000 | |
| 52 | D | A | -2.7250 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -1.9953 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.2089 | |
| 57 | E | A | -1.3594 | |
| 58 | A | A | -0.8040 | |
| 59 | R | A | -1.3353 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.9944 | |
| 62 | D | A | -1.4373 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | -1.4602 | |
| 65 | S | A | -1.3772 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -2.1846 | |
| 69 | V | A | -1.3566 | |
| 70 | E | A | -1.3449 | |
| 71 | A | A | -1.2782 | |
| 72 | E | A | -2.0542 | |
| 73 | M | A | -0.7517 | |
| 74 | G | A | -0.3455 | |
| 75 | C | A | -0.3781 | |
| 76 | A | A | -0.4233 | |
| 77 | T | A | -0.6599 | |
| 78 | L | A | -1.0564 | |
| 79 | D | A | -2.8448 | |
| 80 | N | A | -2.8977 | |
| 81 | T | A | -1.6398 | |
| 82 | P | A | 0.0000 | |
| 83 | S | A | -0.5436 | |
| 84 | S | A | -0.7806 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -1.1171 | |
| 87 | L | A | -0.4249 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.7169 | |
| 90 | E | A | -0.6744 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.2039 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -2.2194 | |
| 95 | S | A | -1.9598 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.4769 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.6769 | |
| 100 | D | A | -0.2902 | |
| 101 | V | A | 0.3956 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.5029 | |
| 105 | C | A | -0.7915 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.3208 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -0.8730 | |
| 112 | E | A | -1.1773 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | 0.1536 | |
| 116 | G | A | -0.5390 | |
| 117 | C | A | 0.0000 | |
| 118 | A | A | 0.1525 | |
| 119 | T | A | -0.4101 | |
| 120 | L | A | -1.0931 | |
| 121 | D | A | -2.9721 | |
| 122 | N | A | -2.9416 | |
| 123 | T | A | -1.7778 | |
| 124 | P | A | -0.9802 | |
| 125 | S | A | -0.4675 | |
| 126 | S | A | -0.4980 | |
| 127 | A | A | -0.4487 | |
| 128 | E | A | -0.9530 | |
| 129 | L | A | -0.2008 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.6647 | |
| 132 | K | A | -0.7690 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.1980 | |
| 137 | N | A | -1.5476 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.4927 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.4438 | |
| 142 | G | A | 0.1351 | |
| 143 | A | A | 0.2650 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.1324 | |
| 147 | V | A | 0.1336 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.6087 | |
| 150 | S | A | -0.6947 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.8722 | |
| 154 | T | A | -1.2469 | |
| 155 | E | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.0604 | |
| 158 | M | A | -0.6171 | |
| 159 | G | A | -0.7178 | |
| 160 | C | A | -0.7186 | |
| 161 | A | A | -0.7778 | |
| 162 | T | A | -1.2229 | |
| 163 | L | A | -1.6323 | |
| 164 | D | A | -3.0564 | |
| 165 | N | A | -2.9077 | |
| 166 | T | A | -1.6147 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -0.4714 | |
| 169 | S | A | -0.5116 | |
| 170 | A | A | -0.4024 | |
| 171 | E | A | -0.7441 | |
| 172 | L | A | -0.2339 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.7932 | |
| 175 | E | A | -0.9175 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -0.9026 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.6828 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4026 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0639 | |
| 185 | D | A | -0.5661 | |
| 186 | A | A | -0.3688 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.2574 | |
| 190 | L | A | -0.3105 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.8644 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.8206 | |
| 197 | E | A | -1.8119 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.0421 | |
| 201 | G | A | -0.5630 | |
| 202 | C | A | -0.1679 | |
| 203 | A | A | 0.0194 | |
| 204 | T | A | -0.5142 | |
| 205 | L | A | -1.1528 | |
| 206 | D | A | -2.7156 | |
| 207 | N | A | -2.7470 | |
| 208 | T | A | -1.7403 | |
| 209 | P | A | 0.0000 | |
| 210 | S | A | -0.5425 | |
| 211 | S | A | -0.5460 | |
| 212 | A | A | -0.5827 | |
| 213 | E | A | -1.0133 | |
| 214 | L | A | -0.3903 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.9568 | |
| 217 | K | A | -0.8229 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5978 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.3784 | |
| 222 | Y | A | 0.5060 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.1014 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -0.9842 | |
| 227 | A | A | -1.1400 | |
| 228 | A | A | -0.5325 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.7871 | |
| 232 | P | A | -1.1598 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.7232 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.2381 | |
| 239 | A | A | -0.6870 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.6355 | |
| 243 | M | A | -0.5362 | |
| 244 | G | A | 0.0000 | |
| 245 | C | A | -0.9948 | |
| 246 | A | A | -0.9463 | |
| 247 | T | A | -1.4024 | |
| 248 | L | A | 0.0000 | |
| 249 | D | A | -2.8835 | |
| 250 | N | A | -2.8062 | |
| 251 | T | A | -1.5243 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.4946 | |
| 254 | S | A | -0.5978 | |
| 255 | A | A | 0.0000 | |
| 256 | E | A | -1.3688 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.7722 | |
| 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 | -0.6582 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.1417 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.0280 | |
| 270 | E | A | -2.4083 | |
| 271 | A | A | -1.2925 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.6234 | |
| 275 | V | A | -1.2447 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.9951 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.7043 | |
| 282 | D | A | -1.7674 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -2.1676 | |
| 286 | M | A | -1.1806 | |
| 287 | G | A | -0.8890 | |
| 288 | C | A | -0.6584 | |
| 289 | A | A | -0.7937 | |
| 290 | T | A | -1.4004 | |
| 291 | L | A | 0.0000 | |
| 292 | D | A | -2.8034 | |
| 293 | N | A | -2.6492 | |
| 294 | T | A | -1.7712 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.3912 | |
| 297 | S | A | -0.6571 | |
| 298 | A | A | -0.7084 | |
| 299 | E | A | -0.9853 | |
| 300 | L | A | -0.4005 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.7268 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.5893 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.7072 | |
| 308 | S | A | -1.1494 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.6383 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.6551 | |
| 313 | S | A | -1.4448 | |
| 314 | D | A | -2.7726 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.8197 | |
| 318 | D | A | -2.1898 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -0.6769 | |
| 321 | G | A | -0.9243 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0809 | |
| 324 | A | A | -0.3396 | |
| 325 | S | A | -1.0763 | |
| 326 | E | A | 0.0000 | |
| 327 | A | A | -0.3565 | |
| 328 | E | A | -1.6672 | |
| 329 | M | A | 0.0000 | |
| 330 | G | A | -0.6092 | |
| 331 | C | A | -0.4881 | |
| 332 | A | A | -0.8974 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | -0.7078 | |
| 335 | D | A | -2.0055 | |
| 336 | N | A | -1.8243 | |
| 337 | T | A | -0.6700 | |
| 338 | P | A | -0.6701 | |
| 339 | S | A | -0.3567 | |
| 340 | S | A | -0.4639 | |
| 341 | A | A | -0.4986 | |
| 342 | E | A | -0.8923 | |
| 343 | L | A | -0.3225 | |
| 344 | L | A | -0.3957 | |
| 345 | G | A | -0.9003 | |
| 346 | E | A | -0.9787 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2907 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.2235 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.7303 | |
| 356 | D | A | -0.3030 | |
| 357 | V | A | 0.8239 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.2930 | |
| 361 | E | A | -1.0249 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.4027 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.5548 | |
| 367 | L | A | 0.8707 | |
| 368 | P | A | 0.9463 | |
| 369 | P | A | 0.6476 | |
| 370 | L | A | 1.4382 | |
| 371 | T | A | 0.3088 | |
| 372 | H | A | 0.0127 | |
| 373 | Q | A | -0.8061 | |
| 374 | V | A | 0.3228 | |
| 375 | M | A | 0.0000 | |
| 376 | Y | A | 1.5119 | |
| 377 | V | A | 1.2377 | |
| 378 | P | A | 0.3393 | |
| 379 | P | A | -0.3624 | |
| 380 | G | A | -0.4068 | |
| 381 | G | A | 0.1853 | |
| 382 | P | A | 0.3953 | |
| 383 | I | A | 1.4308 | |
| 384 | P | A | 0.0136 | |
| 385 | K | A | -1.4017 | |
| 386 | S | A | -0.7744 | |
| 387 | Y | A | 0.0148 | |
| 388 | E | A | -1.3500 | |
| 389 | D | A | -0.8343 | |
| 390 | F | A | 0.3398 | |
| 391 | A | A | 0.2415 | |
| 392 | W | A | 1.2966 | |
| 393 | Q | A | 0.0000 | |
| 394 | T | A | 0.6506 | |
| 395 | S | A | 0.0344 | |
| 396 | T | A | -0.5927 | |
| 397 | N | A | -1.5513 | |
| 398 | P | A | -0.7167 | |
| 399 | S | A | 0.5652 | |
| 400 | V | A | 2.7678 | |
| 401 | F | A | 2.8576 | |
| 402 | W | A | 1.6733 | |
| 403 | T | A | -0.4500 | |
| 404 | E | A | -2.0037 | |
| 405 | T | A | -1.3294 | |
| 406 | L | A | -0.5699 | |
| 407 | W | A | -0.0511 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.7395 | |
| 410 | E | A | -2.4642 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -1.9523 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6293 | |
| 415 | A | A | -1.7740 | |
| 416 | K | A | -2.0191 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | D | A | -1.4178 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.0955 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -0.2983 | |
| 426 | R | A | -1.4811 | |
| 427 | A | A | -0.5522 | |
| 428 | P | A | -0.0742 | |
| 429 | P | A | 0.5891 | |
| 430 | L | A | 1.2870 | |
| 431 | T | A | 0.0072 | |
| 432 | H | A | -0.6892 | |
| 433 | Q | A | -1.2963 | |
| 434 | V | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 0.3286 | |
| 437 | V | A | 0.4943 | |
| 438 | P | A | -0.0468 | |
| 439 | P | A | -0.5180 | |
| 440 | G | A | -0.4409 | |
| 441 | G | A | -0.0136 | |
| 442 | P | A | 0.2933 | |
| 443 | I | A | 1.4275 | |
| 444 | P | A | 0.0172 | |
| 445 | K | A | -1.3706 | |
| 446 | S | A | -1.0186 | |
| 447 | Y | A | -0.3124 | |
| 448 | E | A | -1.4503 | |
| 449 | D | A | -1.1146 | |
| 450 | F | A | -0.0021 | |
| 451 | A | A | 0.1207 | |
| 452 | W | A | 0.0000 | |
| 453 | Q | A | 0.4255 | |
| 454 | T | A | 0.2979 | |
| 455 | S | A | -0.3034 | |
| 456 | T | A | -0.4943 | |
| 457 | N | A | -1.1227 | |
| 458 | P | A | -0.5392 | |
| 459 | S | A | 0.6847 | |
| 460 | V | A | 1.9778 | |
| 461 | F | A | 2.3554 | |
| 462 | W | A | 1.3969 | |
| 463 | T | A | -0.3276 | |
| 464 | E | A | -1.7738 | |
| 465 | E | A | -1.5573 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.9541 | |
| 470 | G | A | -1.6346 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5711 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.4123 | |
| 475 | D | A | -1.5213 | |
| 476 | E | A | -1.7917 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.5767 | |
| 480 | L | A | -1.5161 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.6617 | |
| 484 | T | A | -0.9311 | |
| 485 | L | A | 0.0623 | |
| 486 | L | A | 0.3097 | |
| 487 | P | A | 0.5246 | |
| 488 | P | A | 0.5797 | |
| 489 | L | A | 1.4655 | |
| 490 | T | A | 0.2491 | |
| 491 | H | A | -0.2834 | |
| 492 | Q | A | -1.1877 | |
| 493 | V | A | -0.2714 | |
| 494 | M | A | 0.0000 | |
| 495 | Y | A | 0.4498 | |
| 496 | V | A | 0.5454 | |
| 497 | P | A | -0.0118 | |
| 498 | P | A | -0.4781 | |
| 499 | G | A | -0.4545 | |
| 500 | G | A | 0.0150 | |
| 501 | P | A | 0.6378 | |
| 502 | I | A | 1.3837 | |
| 503 | P | A | 0.0000 | |
| 504 | K | A | -1.2764 | |
| 505 | S | A | -0.8183 | |
| 506 | Y | A | -0.1123 | |
| 507 | E | A | -1.3637 | |
| 508 | D | A | -0.6997 | |
| 509 | F | A | 0.5273 | |
| 510 | A | A | 0.4376 | |
| 511 | W | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | T | A | 0.0000 | |
| 514 | S | A | -0.1603 | |
| 515 | T | A | -0.4074 | |
| 516 | N | A | -0.9644 | |
| 517 | P | A | -0.7456 | |
| 518 | S | A | 0.1367 | |
| 519 | V | A | 1.2953 | |
| 520 | F | A | 1.7922 | |
| 521 | W | A | 1.2392 | |
| 522 | T | A | -0.1936 | |
| 523 | E | A | -1.2287 | |
| 524 | S | A | -0.9914 | |
| 525 | L | A | 0.0000 | |
| 526 | W | A | 0.0081 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.9258 | |
| 529 | S | A | -1.7339 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.5863 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.1534 | |
| 534 | A | A | -1.2302 | |
| 535 | A | A | -0.7957 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.9087 | |
| 539 | H | A | -0.8432 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.8533 | |
| 542 | S | A | -0.4898 | |
| 543 | V | A | 0.1610 | |
| 544 | L | A | 0.0319 | |
| 545 | A | A | -0.4446 | |
| 546 | Q | A | 0.0003 | |
| 547 | P | A | 0.2537 | |
| 548 | P | A | 0.2665 | |
| 549 | L | A | 1.1038 | |
| 550 | T | A | -0.1004 | |
| 551 | H | A | -0.8831 | |
| 552 | Q | A | -0.9822 | |
| 553 | V | A | 0.0000 | |
| 554 | M | A | -0.0581 | |
| 555 | Y | A | 0.3541 | |
| 556 | V | A | 0.4211 | |
| 557 | P | A | -0.0628 | |
| 558 | P | A | -0.5987 | |
| 559 | G | A | -0.4531 | |
| 560 | G | A | -0.0364 | |
| 561 | P | A | 0.2968 | |
| 562 | I | A | 1.2851 | |
| 563 | P | A | 0.1154 | |
| 564 | K | A | -1.2940 | |
| 565 | S | A | -0.6596 | |
| 566 | Y | A | 0.0960 | |
| 567 | E | A | -1.3442 | |
| 568 | D | A | -0.8003 | |
| 569 | F | A | 0.4367 | |
| 570 | A | A | 0.3647 | |
| 571 | W | A | 0.0000 | |
| 572 | Q | A | 0.4497 | |
| 573 | T | A | 0.3580 | |
| 574 | S | A | -0.2727 | |
| 575 | T | A | -0.5478 | |
| 576 | N | A | -1.2130 | |
| 577 | P | A | -0.8754 | |
| 578 | S | A | 0.0035 | |
| 579 | V | A | 1.1919 | |
| 580 | F | A | 1.7317 | |
| 581 | W | A | 1.0551 | |
| 582 | T | A | -0.0479 | |
| 583 | E | A | -0.8325 | |
| 584 | E | A | -0.8784 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.2322 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -2.9645 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.5697 | |
| 594 | D | A | -1.9599 | |
| 595 | A | A | -1.2925 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -2.6488 | |
| 599 | E | A | -2.2448 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | 0.0000 | |
| 602 | Q | A | -2.0906 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.6805 | |
| 605 | H | A | -0.9730 | |
| 606 | P | A | -0.0763 | |
| 607 | P | A | 0.2790 | |
| 608 | L | A | 1.1036 | |
| 609 | T | A | -0.0804 | |
| 610 | H | A | -0.9272 | |
| 611 | Q | A | -1.6021 | |
| 612 | V | A | -0.4061 | |
| 613 | M | A | 0.0000 | |
| 614 | Y | A | 0.3228 | |
| 615 | V | A | 0.5490 | |
| 616 | P | A | 0.0065 | |
| 617 | P | A | -0.5003 | |
| 618 | G | A | -0.4404 | |
| 619 | G | A | 0.0171 | |
| 620 | P | A | 0.3605 | |
| 621 | I | A | 1.4997 | |
| 622 | P | A | 0.0000 | |
| 623 | K | A | -1.2693 | |
| 624 | S | A | -0.7983 | |
| 625 | Y | A | -0.1805 | |
| 626 | E | A | -1.4814 | |
| 627 | D | A | -0.7180 | |
| 628 | F | A | 0.2950 | |
| 629 | A | A | 0.4039 | |
| 630 | W | A | 0.9827 | |
| 631 | Q | A | 0.3116 | |
| 632 | T | A | 0.2719 | |
| 633 | S | A | -0.2730 | |
| 634 | T | A | -0.4685 | |
| 635 | N | A | -1.1774 | |
| 636 | P | A | -0.8089 | |
| 637 | S | A | -0.0174 | |
| 638 | V | A | 1.0261 | |
| 639 | F | A | 1.3736 | |
| 640 | W | A | 0.9495 | |
| 641 | T | A | -0.0401 | |
| 642 | E | A | -0.7548 | |
| 643 | V | A | -0.3687 | |
| 644 | L | A | 0.0331 | |
| 645 | W | A | 0.1127 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -0.8866 | |
| 648 | D | A | -2.0135 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -2.2891 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.6628 | |
| 653 | D | A | -0.8284 | |
| 654 | S | A | -0.9398 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.4540 | |
| 658 | S | A | -0.7997 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.4064 | |
| 662 | T | A | 0.1631 | |
| 663 | L | A | 0.5088 | |
| 664 | L | A | 1.2045 | |
| 665 | T | A | 0.7516 | |
| 666 | P | A | 0.4595 | |
| 667 | P | A | 0.6655 | |
| 668 | L | A | 1.1064 | |
| 669 | T | A | -0.3060 | |
| 670 | H | A | -1.3063 | |
| 671 | Q | A | -1.6049 | |
| 672 | V | A | 0.0000 | |
| 673 | M | A | -0.2243 | |
| 674 | Y | A | 0.3411 | |
| 675 | V | A | 0.5359 | |
| 676 | P | A | -0.0109 | |
| 677 | P | A | -0.5061 | |
| 678 | G | A | -0.4357 | |
| 679 | G | A | -0.0338 | |
| 680 | P | A | 0.3070 | |
| 681 | I | A | 1.4524 | |
| 682 | P | A | 0.0000 | |
| 683 | K | A | -1.2901 | |
| 684 | S | A | -0.6349 | |
| 685 | Y | A | 0.0006 | |
| 686 | E | A | -1.3890 | |
| 687 | D | A | -0.8804 | |
| 688 | F | A | 0.0842 | |
| 689 | A | A | 0.2086 | |
| 690 | W | A | 0.0000 | |
| 691 | Q | A | 0.1858 | |
| 692 | T | A | 0.2059 | |
| 693 | S | A | -0.4012 | |
| 694 | T | A | -0.5000 | |
| 695 | N | A | -1.1647 | |
| 696 | P | A | -0.7840 | |
| 697 | S | A | 0.0984 | |
| 698 | V | A | 1.4347 | |
| 699 | F | A | 1.9454 | |
| 700 | W | A | 1.4074 | |
| 701 | T | A | 0.1553 | |
| 702 | E | A | -0.6858 | |
| 703 | E | A | -0.7659 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | N | A | -1.0706 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | 0.0321 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.1500 | |
| 713 | D | A | -1.2089 | |
| 714 | A | A | -0.5741 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.8455 | |
| 718 | Q | A | -1.2456 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -1.8492 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | -0.6568 | |
| 724 | R | A | -0.8747 | |
| 725 | P | A | -0.0979 | |
| 726 | P | A | 0.4003 | |
| 727 | L | A | 1.1190 | |
| 728 | T | A | -0.2042 | |
| 729 | H | A | -0.8029 | |
| 730 | Q | A | -1.4256 | |
| 731 | V | A | 0.0000 | |
| 732 | M | A | -0.2181 | |
| 733 | Y | A | 0.1198 | |
| 734 | V | A | 0.4545 | |
| 735 | P | A | -0.0299 | |
| 736 | P | A | -0.5314 | |
| 737 | G | A | -0.4307 | |
| 738 | G | A | 0.0052 | |
| 739 | P | A | 0.3054 | |
| 740 | I | A | 1.5231 | |
| 741 | P | A | 0.0000 | |
| 742 | K | A | -1.2253 | |
| 743 | S | A | -0.7385 | |
| 744 | Y | A | -0.0781 | |
| 745 | E | A | -1.2937 | |
| 746 | D | A | -0.3926 | |
| 747 | F | A | 0.7634 | |
| 748 | A | A | 0.6779 | |
| 749 | W | A | 0.0000 | |
| 750 | Q | A | 0.0000 | |
| 751 | T | A | 0.5786 | |
| 752 | S | A | -0.0041 | |
| 753 | T | A | -0.4878 | |
| 754 | N | A | -1.1553 | |
| 755 | P | A | -0.7310 | |
| 756 | S | A | 0.4297 | |
| 757 | V | A | 2.2119 | |
| 758 | F | A | 3.2300 | |
| 759 | W | A | 1.5829 | |
| 760 | T | A | -0.0255 | |
| 761 | E | A | -1.0007 | |
| 762 | Q | A | -1.3198 | |
| 763 | L | A | -0.1590 | |
| 764 | V | A | 0.4488 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | 0.6239 | |
| 767 | D | A | -0.9419 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.7901 | |
| 770 | W | A | -0.4020 | |
| 771 | S | A | -1.8903 | |
| 772 | E | A | -3.4575 | |
| 773 | E | A | -3.8684 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.1489 | |
| 776 | D | A | -4.0680 | |
| 777 | R | A | -3.3485 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -2.9696 | |
| 780 | A | A | -2.7241 | |
| 781 | L | A | -2.4661 | |
| 782 | E | A | -4.0065 | |
| 783 | K | A | -3.6412 | |
| 784 | D | A | -3.0253 | |
| 785 | P | A | -1.6596 | |
| 786 | P | A | -0.7230 | |
| 787 | L | A | 0.8696 | |
| 788 | T | A | 0.0808 | |
| 789 | H | A | -0.8592 | |
| 790 | Q | A | -0.8043 | |
| 791 | V | A | -0.1277 | |
| 792 | M | A | 0.0669 | |
| 793 | Y | A | 0.5737 | |
| 794 | V | A | 0.6314 | |
| 795 | P | A | 0.0921 | |
| 796 | P | A | -0.4725 | |
| 797 | G | A | -0.4324 | |
| 798 | G | A | -0.0301 | |
| 799 | P | A | 0.2155 | |
| 800 | I | A | 1.4648 | |
| 801 | P | A | 0.3084 | |
| 802 | K | A | -1.2343 | |
| 803 | S | A | -0.5831 | |
| 804 | Y | A | 0.1236 | |
| 805 | E | A | -1.1264 | |
| 806 | D | A | -0.1756 | |
| 807 | F | A | 1.3246 | |
| 808 | A | A | 0.6776 | |
| 809 | W | A | 0.7179 | |
| 810 | Q | A | 0.1014 | |
| 811 | T | A | -0.3064 | |
| 812 | S | A | -0.7371 | |
| 813 | T | A | -0.7830 | |
| 814 | N | A | -1.5763 | |
| 815 | P | A | -0.6532 | |
| 816 | S | A | 0.5888 | |
| 817 | V | A | 3.0698 | |
| 818 | F | A | 3.6815 | |
| 819 | W | A | 2.3204 | |
| 820 | T | A | -0.5756 | |
| 821 | E | A | -2.5865 | |
| 822 | R | A | -2.7020 | |
| 823 | V | A | -0.9065 | |
| 824 | I | A | 0.2480 | |
| 825 | S | A | -0.0228 |
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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, -0.46 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 | -0.46 | View | CSV | PDB |
| model_4 | -0.5114 | View | CSV | PDB |
| model_1 | -0.5434 | View | CSV | PDB |
| model_7 | -0.5543 | View | CSV | PDB |
| model_10 | -0.5606 | View | CSV | PDB |
| model_0 | -0.5622 | View | CSV | PDB |
| model_3 | -0.5631 | View | CSV | PDB |
| CABS_average | -0.5658 | View | CSV | PDB |
| model_5 | -0.5674 | View | CSV | PDB |
| model_2 | -0.5729 | View | CSV | PDB |
| model_11 | -0.5755 | View | CSV | PDB |
| model_9 | -0.5769 | View | CSV | PDB |
| model_6 | -0.5933 | View | CSV | PDB |
| model_8 | -0.6084 | 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