Project name: C22_B3_EF_E18_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:53:25
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRHPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:11:33)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:26:35)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:26:43)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:26:52)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:27:00)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:27:08)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:27:16)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:27:24)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:27:32)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:27:40)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:27:47)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:27:55)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:28:03)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:28:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:28:29)
[INFO] Main: Simulation completed successfully. (03:28:38)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.9188
- Maximal score value
- 3.03
- Average score
- -0.4484
- Total score value
- -369.8934
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 | 0.1470 | |
| 2 | L | A | 0.6139 | |
| 3 | D | A | -1.1990 | |
| 4 | I | A | -0.5899 | |
| 5 | Q | A | -1.6107 | |
| 6 | S | A | -1.1586 | |
| 7 | L | A | -0.7616 | |
| 8 | D | A | -1.8256 | |
| 9 | I | A | -1.5991 | |
| 10 | Q | A | -2.1450 | |
| 11 | C | A | -1.2039 | |
| 12 | E | A | -1.9910 | |
| 13 | E | A | -2.9369 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.2257 | |
| 16 | D | A | -2.6759 | |
| 17 | A | A | -1.8784 | |
| 18 | R | A | -2.6223 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6586 | |
| 21 | E | A | -2.3563 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.9101 | |
| 24 | P | A | -1.0539 | |
| 25 | L | A | -0.6534 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.2072 | |
| 28 | E | A | -1.7519 | |
| 29 | A | A | -1.1046 | |
| 30 | E | A | -0.6217 | |
| 31 | M | A | 0.1011 | |
| 32 | G | A | -0.1656 | |
| 33 | C | A | 0.5954 | |
| 34 | A | A | 0.6319 | |
| 35 | T | A | 0.3026 | |
| 36 | L | A | 0.3803 | |
| 37 | D | A | -1.6174 | |
| 38 | N | A | -1.8381 | |
| 39 | T | A | -1.0909 | |
| 40 | P | A | -0.7357 | |
| 41 | S | A | -0.7674 | |
| 42 | S | A | -0.8335 | |
| 43 | A | A | -0.8699 | |
| 44 | E | A | -1.8296 | |
| 45 | L | A | -0.6877 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -0.9605 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.8225 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.1830 | |
| 52 | D | A | -2.6771 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -1.9857 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.2164 | |
| 57 | E | A | -1.3646 | |
| 58 | A | A | -0.8194 | |
| 59 | R | A | -1.3614 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.0341 | |
| 62 | D | A | -1.4923 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.0460 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.3141 | |
| 69 | V | A | -0.6532 | |
| 70 | E | A | -0.8674 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -1.7721 | |
| 73 | M | A | -0.4545 | |
| 74 | G | A | -0.0697 | |
| 75 | C | A | -0.2290 | |
| 76 | A | A | -0.2929 | |
| 77 | T | A | -0.3904 | |
| 78 | L | A | -0.3918 | |
| 79 | D | A | -2.3056 | |
| 80 | N | A | -2.3803 | |
| 81 | T | A | -1.3714 | |
| 82 | P | A | 0.0000 | |
| 83 | S | A | -0.5617 | |
| 84 | S | A | -0.7721 | |
| 85 | A | A | -0.6513 | |
| 86 | E | A | -0.9620 | |
| 87 | L | A | -0.3115 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.7265 | |
| 90 | E | A | -0.5867 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.7609 | |
| 95 | S | A | -1.7858 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.4062 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.6066 | |
| 100 | D | A | -0.2291 | |
| 101 | V | A | 0.5593 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.4607 | |
| 105 | C | A | -0.6876 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.3392 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.0541 | |
| 112 | E | A | -1.6780 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | -0.1221 | |
| 116 | G | A | -0.4647 | |
| 117 | C | A | 0.0011 | |
| 118 | A | A | 0.2868 | |
| 119 | T | A | -0.2055 | |
| 120 | L | A | -0.8334 | |
| 121 | D | A | -2.6227 | |
| 122 | N | A | -2.7068 | |
| 123 | T | A | -1.5123 | |
| 124 | P | A | -1.0349 | |
| 125 | S | A | -0.6356 | |
| 126 | S | A | -0.5236 | |
| 127 | A | A | -0.5600 | |
| 128 | E | A | -0.9020 | |
| 129 | L | A | -0.3464 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.7023 | |
| 132 | K | A | -0.7021 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.9610 | |
| 137 | N | A | -1.4527 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.3609 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.4372 | |
| 142 | G | A | 0.0947 | |
| 143 | A | A | 0.2904 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.1682 | |
| 147 | V | A | 0.1122 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | S | A | -0.6628 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.8769 | |
| 154 | T | A | -1.2972 | |
| 155 | E | A | -0.8958 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.1733 | |
| 158 | M | A | -0.7907 | |
| 159 | G | A | -0.6147 | |
| 160 | C | A | -0.5748 | |
| 161 | A | A | -0.6063 | |
| 162 | T | A | -1.0030 | |
| 163 | L | A | -1.2648 | |
| 164 | D | A | -2.9115 | |
| 165 | N | A | -2.4729 | |
| 166 | T | A | -1.5557 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -0.4693 | |
| 169 | S | A | -0.5047 | |
| 170 | A | A | -0.4583 | |
| 171 | E | A | -0.6695 | |
| 172 | L | A | -0.2894 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.7235 | |
| 175 | E | A | -0.7706 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.5187 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4240 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0290 | |
| 185 | D | A | -0.6077 | |
| 186 | A | A | -0.3931 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.1693 | |
| 190 | L | A | -0.2588 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.7708 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.8886 | |
| 197 | E | A | -2.0237 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | -0.1200 | |
| 201 | G | A | -0.7026 | |
| 202 | C | A | -0.2192 | |
| 203 | A | A | -0.0661 | |
| 204 | T | A | -0.3755 | |
| 205 | L | A | -1.1259 | |
| 206 | D | A | -2.8051 | |
| 207 | N | A | -2.8940 | |
| 208 | T | A | -1.5441 | |
| 209 | P | A | 0.0000 | |
| 210 | S | A | -0.6178 | |
| 211 | S | A | -0.4622 | |
| 212 | A | A | -0.4107 | |
| 213 | E | A | -0.6294 | |
| 214 | L | A | -0.1182 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.6713 | |
| 217 | K | A | -0.7316 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5052 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.2819 | |
| 222 | Y | A | 0.5461 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.0948 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.0000 | |
| 227 | A | A | -1.0902 | |
| 228 | A | A | -0.4442 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.3445 | |
| 232 | P | A | -0.9666 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.5662 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.0830 | |
| 239 | A | A | -0.6585 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.8011 | |
| 243 | M | A | -0.5725 | |
| 244 | G | A | -0.4753 | |
| 245 | C | A | -0.2506 | |
| 246 | A | A | -0.4706 | |
| 247 | T | A | -1.1253 | |
| 248 | L | A | -1.7046 | |
| 249 | D | A | -3.0255 | |
| 250 | N | A | -2.6706 | |
| 251 | T | A | -1.6132 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.4913 | |
| 254 | S | A | -0.5637 | |
| 255 | A | A | -0.5800 | |
| 256 | E | A | -0.8066 | |
| 257 | L | A | -0.3377 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.7234 | |
| 260 | E | A | -0.5863 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -0.6190 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.1315 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.0140 | |
| 270 | E | A | -2.3016 | |
| 271 | A | A | -1.1499 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.7892 | |
| 275 | V | A | -1.3413 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.8589 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.5433 | |
| 282 | D | A | -1.7921 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -1.8830 | |
| 286 | M | A | -1.1378 | |
| 287 | G | A | -0.6760 | |
| 288 | C | A | -0.3347 | |
| 289 | A | A | -0.3021 | |
| 290 | T | A | -0.4728 | |
| 291 | L | A | -0.9085 | |
| 292 | D | A | -2.6146 | |
| 293 | N | A | -2.6254 | |
| 294 | T | A | -1.3618 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.6956 | |
| 297 | S | A | -0.8759 | |
| 298 | A | A | -0.9772 | |
| 299 | E | A | -1.5108 | |
| 300 | L | A | -0.5923 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.8828 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.4492 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.5783 | |
| 308 | S | A | -1.0994 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.5978 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.6053 | |
| 313 | S | A | -1.5133 | |
| 314 | D | A | -2.7157 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -3.0064 | |
| 318 | D | A | -2.4309 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -1.0452 | |
| 321 | G | A | -0.9468 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | -0.2950 | |
| 324 | A | A | -0.5228 | |
| 325 | S | A | -0.9823 | |
| 326 | E | A | 0.0000 | |
| 327 | A | A | -0.6178 | |
| 328 | E | A | -1.3459 | |
| 329 | M | A | -0.7739 | |
| 330 | G | A | -0.4857 | |
| 331 | C | A | 0.2688 | |
| 332 | A | A | -0.0765 | |
| 333 | T | A | -0.4350 | |
| 334 | L | A | -0.7152 | |
| 335 | D | A | -2.4111 | |
| 336 | N | A | -2.3780 | |
| 337 | T | A | -0.9195 | |
| 338 | P | A | -0.6953 | |
| 339 | S | A | -0.4634 | |
| 340 | S | A | -0.8496 | |
| 341 | A | A | -1.1549 | |
| 342 | E | A | -1.6734 | |
| 343 | L | A | -0.5655 | |
| 344 | L | A | -0.4444 | |
| 345 | G | A | -0.8009 | |
| 346 | E | A | -0.6715 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2660 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.0720 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9673 | |
| 356 | D | A | -0.4747 | |
| 357 | V | A | 0.7075 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.4124 | |
| 361 | E | A | -1.2288 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -1.2219 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | -0.5680 | |
| 367 | R | A | -1.6266 | |
| 368 | P | A | -0.0831 | |
| 369 | V | A | 0.6276 | |
| 370 | L | A | 1.2006 | |
| 371 | T | A | 0.2179 | |
| 372 | H | A | -0.8080 | |
| 373 | Q | A | -1.1168 | |
| 374 | I | A | 0.1211 | |
| 375 | M | A | 0.7145 | |
| 376 | Y | A | 1.5387 | |
| 377 | V | A | 1.2091 | |
| 378 | P | A | 0.4398 | |
| 379 | P | A | -0.1049 | |
| 380 | G | A | -0.3492 | |
| 381 | G | A | 0.0088 | |
| 382 | P | A | 0.2682 | |
| 383 | I | A | 1.4157 | |
| 384 | P | A | 0.2012 | |
| 385 | A | A | -0.3707 | |
| 386 | K | A | -1.1261 | |
| 387 | V | A | 0.1290 | |
| 388 | D | A | -1.3886 | |
| 389 | S | A | 0.0000 | |
| 390 | Y | A | -0.1744 | |
| 391 | E | A | -0.8441 | |
| 392 | W | A | 0.2933 | |
| 393 | Q | A | 0.3281 | |
| 394 | T | A | 0.5055 | |
| 395 | S | A | -0.1122 | |
| 396 | T | A | -0.6584 | |
| 397 | N | A | -1.5161 | |
| 398 | P | A | -0.6994 | |
| 399 | S | A | 0.3149 | |
| 400 | V | A | 1.3756 | |
| 401 | F | A | 2.3689 | |
| 402 | W | A | 1.0010 | |
| 403 | T | A | -0.1805 | |
| 404 | E | A | -1.0383 | |
| 405 | T | A | -0.7209 | |
| 406 | L | A | -0.1476 | |
| 407 | W | A | 0.0524 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.7099 | |
| 410 | E | A | -2.4557 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -1.9935 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6533 | |
| 415 | A | A | -1.7968 | |
| 416 | K | A | -2.0790 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | D | A | -1.5972 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.6267 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -1.0587 | |
| 426 | R | A | -1.4089 | |
| 427 | H | A | -1.5931 | |
| 428 | P | A | 0.2599 | |
| 429 | V | A | 0.9205 | |
| 430 | L | A | 1.2661 | |
| 431 | T | A | 0.0916 | |
| 432 | H | A | -0.8154 | |
| 433 | Q | A | -0.7578 | |
| 434 | I | A | -0.1014 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 0.1592 | |
| 437 | V | A | 0.0000 | |
| 438 | P | A | -0.3443 | |
| 439 | P | A | -0.5649 | |
| 440 | G | A | -0.4415 | |
| 441 | G | A | -0.3987 | |
| 442 | P | A | 0.1314 | |
| 443 | I | A | 1.1066 | |
| 444 | P | A | 0.0764 | |
| 445 | A | A | -0.2772 | |
| 446 | K | A | -1.1336 | |
| 447 | V | A | -0.0460 | |
| 448 | D | A | -1.3682 | |
| 449 | S | A | -0.8326 | |
| 450 | Y | A | 0.0003 | |
| 451 | E | A | -0.5076 | |
| 452 | W | A | 0.0000 | |
| 453 | Q | A | -0.0006 | |
| 454 | T | A | 0.1134 | |
| 455 | S | A | -0.4080 | |
| 456 | T | A | -0.7957 | |
| 457 | N | A | -1.1792 | |
| 458 | P | A | -0.7193 | |
| 459 | S | A | 0.3215 | |
| 460 | V | A | 1.5628 | |
| 461 | F | A | 2.0059 | |
| 462 | W | A | 1.0569 | |
| 463 | T | A | -0.0709 | |
| 464 | E | A | -0.9846 | |
| 465 | E | A | -0.9147 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.8862 | |
| 470 | G | A | -1.6037 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5650 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.3872 | |
| 475 | D | A | -1.5007 | |
| 476 | E | A | -1.7708 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.3855 | |
| 480 | L | A | -1.2414 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -0.6695 | |
| 484 | T | A | -0.2668 | |
| 485 | L | A | 1.0200 | |
| 486 | L | A | 1.4377 | |
| 487 | P | A | 1.7834 | |
| 488 | V | A | 1.9438 | |
| 489 | L | A | 2.0610 | |
| 490 | T | A | 0.5912 | |
| 491 | H | A | -0.8006 | |
| 492 | Q | A | -0.8875 | |
| 493 | I | A | 0.3133 | |
| 494 | M | A | 0.0000 | |
| 495 | Y | A | 0.1703 | |
| 496 | V | A | 0.0000 | |
| 497 | P | A | -0.3721 | |
| 498 | P | A | -0.5712 | |
| 499 | G | A | -0.5433 | |
| 500 | G | A | -0.4386 | |
| 501 | P | A | -0.0331 | |
| 502 | I | A | 0.6999 | |
| 503 | P | A | 0.0000 | |
| 504 | A | A | -0.3617 | |
| 505 | K | A | -1.1803 | |
| 506 | V | A | -0.0063 | |
| 507 | D | A | -1.4804 | |
| 508 | S | A | -0.7394 | |
| 509 | Y | A | 0.1786 | |
| 510 | E | A | -0.1419 | |
| 511 | W | A | 0.0000 | |
| 512 | Q | A | 0.1137 | |
| 513 | T | A | 0.2082 | |
| 514 | S | A | -0.2802 | |
| 515 | T | A | -0.6010 | |
| 516 | N | A | -0.9604 | |
| 517 | P | A | -0.4241 | |
| 518 | S | A | 0.3609 | |
| 519 | V | A | 1.2351 | |
| 520 | F | A | 1.6465 | |
| 521 | W | A | 0.6760 | |
| 522 | T | A | -0.3460 | |
| 523 | E | A | -1.1849 | |
| 524 | S | A | -0.7945 | |
| 525 | L | A | -0.2807 | |
| 526 | W | A | 0.1657 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.8564 | |
| 529 | S | A | -1.7363 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.5598 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.1453 | |
| 534 | A | A | -1.1726 | |
| 535 | A | A | -0.7666 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.7885 | |
| 539 | H | A | -0.8677 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.7253 | |
| 542 | S | A | -0.4522 | |
| 543 | V | A | 0.3588 | |
| 544 | L | A | 0.3160 | |
| 545 | A | A | -0.1804 | |
| 546 | Q | A | 0.1362 | |
| 547 | P | A | 0.8902 | |
| 548 | V | A | 1.7716 | |
| 549 | L | A | 1.4933 | |
| 550 | T | A | 0.4040 | |
| 551 | H | A | -0.7215 | |
| 552 | Q | A | -0.7590 | |
| 553 | I | A | 0.0256 | |
| 554 | M | A | 0.0000 | |
| 555 | Y | A | 0.1820 | |
| 556 | V | A | 0.0000 | |
| 557 | P | A | -0.2115 | |
| 558 | P | A | -0.5267 | |
| 559 | G | A | -0.4775 | |
| 560 | G | A | -0.2957 | |
| 561 | P | A | 0.1671 | |
| 562 | I | A | 1.2245 | |
| 563 | P | A | 0.0000 | |
| 564 | A | A | -0.2283 | |
| 565 | K | A | -1.0658 | |
| 566 | V | A | 0.2372 | |
| 567 | D | A | -1.4277 | |
| 568 | S | A | -0.5798 | |
| 569 | Y | A | 0.3729 | |
| 570 | E | A | -0.2210 | |
| 571 | W | A | 0.0000 | |
| 572 | Q | A | 0.0000 | |
| 573 | T | A | 0.0879 | |
| 574 | S | A | -0.3198 | |
| 575 | T | A | -0.5821 | |
| 576 | N | A | -0.7700 | |
| 577 | P | A | -0.2533 | |
| 578 | S | A | 0.4947 | |
| 579 | V | A | 1.5307 | |
| 580 | F | A | 1.6746 | |
| 581 | W | A | 0.7872 | |
| 582 | T | A | -0.1961 | |
| 583 | E | A | -0.8554 | |
| 584 | E | A | -0.7334 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.6011 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -3.1555 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.8077 | |
| 594 | D | A | -1.9864 | |
| 595 | A | A | -1.1453 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -2.1093 | |
| 599 | E | A | -1.8268 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | 0.0000 | |
| 602 | Q | A | -1.7201 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.1944 | |
| 605 | G | A | 0.1259 | |
| 606 | P | A | 1.0748 | |
| 607 | V | A | 1.9125 | |
| 608 | L | A | 1.8580 | |
| 609 | T | A | 0.5816 | |
| 610 | H | A | -0.6398 | |
| 611 | Q | A | -1.1203 | |
| 612 | I | A | -0.1531 | |
| 613 | M | A | 0.0000 | |
| 614 | Y | A | 0.0994 | |
| 615 | V | A | 0.0000 | |
| 616 | P | A | -0.2678 | |
| 617 | P | A | -0.5514 | |
| 618 | G | A | -0.4655 | |
| 619 | G | A | -0.2876 | |
| 620 | P | A | 0.1920 | |
| 621 | I | A | 1.2035 | |
| 622 | P | A | 0.1878 | |
| 623 | A | A | -0.2723 | |
| 624 | K | A | -1.0735 | |
| 625 | V | A | 0.2715 | |
| 626 | D | A | -1.4596 | |
| 627 | S | A | -0.6771 | |
| 628 | Y | A | 0.1844 | |
| 629 | E | A | -0.4906 | |
| 630 | W | A | 0.0000 | |
| 631 | Q | A | -0.1371 | |
| 632 | T | A | 0.0019 | |
| 633 | S | A | -0.3449 | |
| 634 | T | A | -0.5346 | |
| 635 | N | A | -0.8087 | |
| 636 | P | A | -0.3459 | |
| 637 | S | A | 0.4866 | |
| 638 | V | A | 1.3987 | |
| 639 | F | A | 1.7237 | |
| 640 | W | A | 0.8856 | |
| 641 | T | A | -0.0112 | |
| 642 | E | A | -0.6099 | |
| 643 | V | A | -0.2794 | |
| 644 | L | A | 0.0588 | |
| 645 | W | A | 0.0473 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -1.2546 | |
| 648 | D | A | -2.9706 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -2.6959 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.7442 | |
| 653 | D | A | -0.9004 | |
| 654 | S | A | -0.9258 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.4261 | |
| 658 | S | A | -0.6829 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.4038 | |
| 662 | T | A | 0.2979 | |
| 663 | L | A | 0.7395 | |
| 664 | L | A | 1.4481 | |
| 665 | A | A | 1.1533 | |
| 666 | P | A | 1.2124 | |
| 667 | V | A | 1.4986 | |
| 668 | L | A | 1.5078 | |
| 669 | T | A | 0.1166 | |
| 670 | H | A | -0.7545 | |
| 671 | Q | A | -0.8392 | |
| 672 | I | A | -0.2599 | |
| 673 | M | A | -0.0467 | |
| 674 | Y | A | 0.1005 | |
| 675 | V | A | 0.0000 | |
| 676 | P | A | -0.3044 | |
| 677 | P | A | -0.4694 | |
| 678 | G | A | -0.4643 | |
| 679 | G | A | -0.3061 | |
| 680 | P | A | 0.1595 | |
| 681 | I | A | 1.1189 | |
| 682 | P | A | 0.1312 | |
| 683 | A | A | -0.2898 | |
| 684 | K | A | -1.0464 | |
| 685 | V | A | 0.2993 | |
| 686 | D | A | -1.4540 | |
| 687 | S | A | -0.6716 | |
| 688 | Y | A | -0.0614 | |
| 689 | E | A | -0.7785 | |
| 690 | W | A | -0.0625 | |
| 691 | Q | A | 0.0427 | |
| 692 | T | A | 0.1424 | |
| 693 | S | A | -0.2053 | |
| 694 | T | A | -0.5659 | |
| 695 | N | A | -0.8331 | |
| 696 | P | A | -0.4370 | |
| 697 | S | A | 0.3304 | |
| 698 | V | A | 1.1729 | |
| 699 | F | A | 1.7753 | |
| 700 | W | A | 0.8137 | |
| 701 | T | A | -0.0001 | |
| 702 | E | A | -0.6259 | |
| 703 | E | A | -0.6847 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | N | A | -1.3712 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | 0.0037 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.1348 | |
| 713 | D | A | -1.2472 | |
| 714 | A | A | -0.6118 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.6520 | |
| 718 | Q | A | -0.9920 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -1.4496 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | -0.5666 | |
| 724 | R | A | -1.3690 | |
| 725 | P | A | 0.1042 | |
| 726 | V | A | 1.6311 | |
| 727 | L | A | 1.4534 | |
| 728 | T | A | 0.2919 | |
| 729 | H | A | -0.7767 | |
| 730 | Q | A | -1.2810 | |
| 731 | I | A | 0.0289 | |
| 732 | M | A | 0.2521 | |
| 733 | Y | A | 0.3530 | |
| 734 | V | A | 0.1872 | |
| 735 | P | A | -0.1835 | |
| 736 | P | A | -0.4868 | |
| 737 | G | A | -0.4150 | |
| 738 | G | A | -0.2105 | |
| 739 | P | A | 0.2423 | |
| 740 | I | A | 1.0640 | |
| 741 | P | A | -0.0125 | |
| 742 | A | A | -0.3573 | |
| 743 | K | A | -1.1184 | |
| 744 | V | A | 0.1392 | |
| 745 | D | A | -1.5876 | |
| 746 | S | A | -0.9015 | |
| 747 | Y | A | -0.1209 | |
| 748 | E | A | -1.0488 | |
| 749 | W | A | -0.1116 | |
| 750 | Q | A | 0.0000 | |
| 751 | T | A | 0.2928 | |
| 752 | S | A | -0.1482 | |
| 753 | T | A | -0.7144 | |
| 754 | N | A | -1.1743 | |
| 755 | P | A | -0.4800 | |
| 756 | S | A | 0.6991 | |
| 757 | V | A | 1.7308 | |
| 758 | F | A | 2.0988 | |
| 759 | W | A | 1.0428 | |
| 760 | T | A | -0.3367 | |
| 761 | E | A | -1.3323 | |
| 762 | Q | A | -0.8208 | |
| 763 | L | A | 0.0000 | |
| 764 | V | A | 0.6315 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | 0.9662 | |
| 767 | D | A | -0.6853 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.8502 | |
| 770 | W | A | -0.4453 | |
| 771 | S | A | -1.9054 | |
| 772 | E | A | -3.5091 | |
| 773 | E | A | -3.9188 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.2025 | |
| 776 | D | A | -3.8528 | |
| 777 | R | A | -3.2458 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -2.6691 | |
| 780 | A | A | -2.3848 | |
| 781 | L | A | -1.8488 | |
| 782 | E | A | -3.2216 | |
| 783 | K | A | -3.3147 | |
| 784 | D | A | -2.5186 | |
| 785 | P | A | -1.0512 | |
| 786 | V | A | 0.4494 | |
| 787 | L | A | 1.1615 | |
| 788 | T | A | 0.6148 | |
| 789 | H | A | -0.8817 | |
| 790 | Q | A | -0.9065 | |
| 791 | I | A | 0.0363 | |
| 792 | M | A | 0.1677 | |
| 793 | Y | A | 0.1591 | |
| 794 | V | A | 0.0000 | |
| 795 | P | A | -0.4099 | |
| 796 | P | A | -0.6245 | |
| 797 | G | A | -0.5514 | |
| 798 | G | A | -0.6428 | |
| 799 | P | A | -0.3724 | |
| 800 | I | A | 0.3349 | |
| 801 | P | A | 0.0000 | |
| 802 | A | A | -0.4106 | |
| 803 | K | A | -1.0573 | |
| 804 | V | A | 0.3308 | |
| 805 | D | A | -1.3741 | |
| 806 | S | A | -0.6693 | |
| 807 | Y | A | -0.0912 | |
| 808 | E | A | -1.3581 | |
| 809 | W | A | -0.3805 | |
| 810 | Q | A | -0.3491 | |
| 811 | T | A | -0.5143 | |
| 812 | S | A | -0.6909 | |
| 813 | T | A | -0.8859 | |
| 814 | N | A | -1.4360 | |
| 815 | P | A | -0.5392 | |
| 816 | S | A | 0.8089 | |
| 817 | V | A | 2.3455 | |
| 818 | F | A | 3.0300 | |
| 819 | W | A | 1.4433 | |
| 820 | T | A | -0.4105 | |
| 821 | E | A | -2.0907 | |
| 822 | R | A | -1.7502 | |
| 823 | V | A | 0.2773 | |
| 824 | I | A | 1.1079 | |
| 825 | S | A | 0.6696 |
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, -0.4484 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 | -0.4484 | View | CSV | PDB |
| model_4 | -0.483 | View | CSV | PDB |
| model_10 | -0.4965 | View | CSV | PDB |
| model_1 | -0.5019 | View | CSV | PDB |
| model_6 | -0.5025 | View | CSV | PDB |
| model_5 | -0.5038 | View | CSV | PDB |
| model_0 | -0.5038 | View | CSV | PDB |
| model_2 | -0.5056 | View | CSV | PDB |
| CABS_average | -0.5122 | View | CSV | PDB |
| model_8 | -0.5125 | View | CSV | PDB |
| model_3 | -0.5141 | View | CSV | PDB |
| model_9 | -0.5365 | View | CSV | PDB |
| model_11 | -0.5371 | View | CSV | PDB |
| model_7 | -0.5485 | 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