Project name: C28_E18_EF_E30_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:54:06
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLIPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLYPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:00:01)
[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 (00:14:07)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:19:15)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:19:23)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:19:32)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:19:41)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:19:49)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:19:58)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:20:07)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:20:15)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:20:24)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:20:33)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:20:42)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:20:51)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:21:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:21:20)
[INFO] Main: Simulation completed successfully. (04:21:29)
|
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
- -4.4884
- Maximal score value
- 3.316
- Average score
- -0.1497
- Total score value
- -143.8969
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 | 0.1623 | |
| 2 | L | A | 0.6248 | |
| 3 | D | A | -0.9112 | |
| 4 | I | A | -0.1566 | |
| 5 | Q | A | -0.9105 | |
| 6 | S | A | -0.9609 | |
| 7 | L | A | -0.8308 | |
| 8 | D | A | -1.8794 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4179 | |
| 11 | C | A | -1.5582 | |
| 12 | E | A | -2.7471 | |
| 13 | E | A | -3.2294 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1339 | |
| 16 | D | A | -2.5031 | |
| 17 | A | A | -1.6059 | |
| 18 | R | A | -2.0427 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4915 | |
| 21 | E | A | -2.1572 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5378 | |
| 24 | P | A | -0.2001 | |
| 25 | L | A | 0.3163 | |
| 26 | L | A | 0.1086 | |
| 27 | Q | A | 0.6868 | |
| 28 | P | A | 1.2055 | |
| 29 | V | A | 2.0447 | |
| 30 | L | A | 1.8534 | |
| 31 | T | A | 0.4258 | |
| 32 | H | A | 0.0015 | |
| 33 | Q | A | 0.1235 | |
| 34 | I | A | 0.7993 | |
| 35 | M | A | 0.8312 | |
| 36 | Y | A | 1.4719 | |
| 37 | V | A | 1.0396 | |
| 38 | P | A | 0.3507 | |
| 39 | P | A | -0.3874 | |
| 40 | G | A | -0.4052 | |
| 41 | G | A | 0.0201 | |
| 42 | P | A | 0.4010 | |
| 43 | I | A | 1.6878 | |
| 44 | P | A | 0.4179 | |
| 45 | A | A | -0.3523 | |
| 46 | K | A | -0.9734 | |
| 47 | V | A | 0.2123 | |
| 48 | D | A | -1.4129 | |
| 49 | S | A | -0.7070 | |
| 50 | Y | A | -0.3883 | |
| 51 | E | A | -1.2098 | |
| 52 | W | A | 0.1941 | |
| 53 | Q | A | 0.0914 | |
| 54 | T | A | -0.0690 | |
| 55 | S | A | -0.2871 | |
| 56 | T | A | -0.2861 | |
| 57 | N | A | -0.1803 | |
| 58 | P | A | 0.0785 | |
| 59 | S | A | 0.7598 | |
| 60 | V | A | 2.2444 | |
| 61 | F | A | 1.9171 | |
| 62 | W | A | 1.2252 | |
| 63 | T | A | -0.0528 | |
| 64 | E | A | -0.8134 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.4861 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.2499 | |
| 69 | D | A | -2.7809 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.1461 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.5444 | |
| 74 | E | A | -1.9240 | |
| 75 | A | A | -1.0983 | |
| 76 | R | A | -1.6149 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2235 | |
| 79 | D | A | -1.6753 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -0.7436 | |
| 83 | A | A | -0.1145 | |
| 84 | L | A | 0.0614 | |
| 85 | R | A | -0.0586 | |
| 86 | V | A | 1.4285 | |
| 87 | P | A | 1.3367 | |
| 88 | V | A | 1.7869 | |
| 89 | L | A | 1.5579 | |
| 90 | T | A | 0.9556 | |
| 91 | H | A | -0.0747 | |
| 92 | Q | A | 0.2719 | |
| 93 | I | A | -0.2979 | |
| 94 | M | A | 0.0480 | |
| 95 | Y | A | 0.2740 | |
| 96 | V | A | 0.0000 | |
| 97 | P | A | -0.2427 | |
| 98 | P | A | -0.7540 | |
| 99 | G | A | -0.7215 | |
| 100 | G | A | -0.4776 | |
| 101 | P | A | -0.1131 | |
| 102 | I | A | 0.6102 | |
| 103 | P | A | -0.3822 | |
| 104 | A | A | -0.5444 | |
| 105 | K | A | -1.7265 | |
| 106 | V | A | -0.9694 | |
| 107 | D | A | -1.9555 | |
| 108 | S | A | -1.1719 | |
| 109 | Y | A | -0.6680 | |
| 110 | E | A | -1.1366 | |
| 111 | W | A | -0.1034 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | -0.0465 | |
| 114 | S | A | -0.0968 | |
| 115 | T | A | -0.1923 | |
| 116 | N | A | -0.1512 | |
| 117 | P | A | 0.0207 | |
| 118 | S | A | 0.9244 | |
| 119 | V | A | 2.1758 | |
| 120 | F | A | 2.0368 | |
| 121 | W | A | 1.0668 | |
| 122 | T | A | -0.0389 | |
| 123 | E | A | -0.7538 | |
| 124 | E | A | -0.8972 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.9383 | |
| 129 | S | A | -1.9028 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.6298 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.6673 | |
| 134 | D | A | 0.0070 | |
| 135 | V | A | 0.9590 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2646 | |
| 139 | C | A | -0.6656 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1019 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.0123 | |
| 145 | Q | A | -0.0635 | |
| 146 | P | A | 0.5681 | |
| 147 | V | A | 1.0567 | |
| 148 | L | A | 1.2746 | |
| 149 | T | A | 0.9291 | |
| 150 | H | A | 0.0232 | |
| 151 | Q | A | 0.2355 | |
| 152 | I | A | -0.2754 | |
| 153 | M | A | 0.1520 | |
| 154 | Y | A | 0.2219 | |
| 155 | V | A | 0.0000 | |
| 156 | P | A | -0.1979 | |
| 157 | P | A | -0.7131 | |
| 158 | G | A | -0.6823 | |
| 159 | G | A | -0.4292 | |
| 160 | P | A | -0.0520 | |
| 161 | I | A | 0.6986 | |
| 162 | P | A | -0.3100 | |
| 163 | A | A | -0.6592 | |
| 164 | K | A | -1.6760 | |
| 165 | V | A | -0.9342 | |
| 166 | D | A | -1.7956 | |
| 167 | S | A | -1.0381 | |
| 168 | Y | A | -0.5152 | |
| 169 | E | A | -0.9075 | |
| 170 | W | A | -0.0471 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.0506 | |
| 173 | S | A | -0.0306 | |
| 174 | T | A | -0.1287 | |
| 175 | N | A | 0.0000 | |
| 176 | P | A | 0.1846 | |
| 177 | S | A | 0.8700 | |
| 178 | V | A | 2.0460 | |
| 179 | F | A | 1.9994 | |
| 180 | W | A | 1.0831 | |
| 181 | T | A | -0.1521 | |
| 182 | E | A | -1.0397 | |
| 183 | K | A | -1.2670 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.1172 | |
| 188 | N | A | -1.5439 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.5054 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4559 | |
| 193 | G | A | 0.1615 | |
| 194 | A | A | 0.3953 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1007 | |
| 198 | V | A | 0.2385 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.3231 | |
| 202 | T | A | -0.1561 | |
| 203 | L | A | 0.2088 | |
| 204 | R | A | -0.3175 | |
| 205 | T | A | 0.3244 | |
| 206 | P | A | 0.8413 | |
| 207 | V | A | 1.3188 | |
| 208 | L | A | 1.4752 | |
| 209 | T | A | 1.0682 | |
| 210 | H | A | 0.1351 | |
| 211 | Q | A | 0.2515 | |
| 212 | I | A | 0.0124 | |
| 213 | M | A | 0.1931 | |
| 214 | Y | A | 0.3286 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.1518 | |
| 217 | P | A | -0.6865 | |
| 218 | G | A | -0.6589 | |
| 219 | G | A | -0.3750 | |
| 220 | P | A | 0.0146 | |
| 221 | I | A | 0.8345 | |
| 222 | P | A | -0.1415 | |
| 223 | A | A | -0.4572 | |
| 224 | K | A | -1.5606 | |
| 225 | V | A | -0.5222 | |
| 226 | D | A | -1.4412 | |
| 227 | S | A | -0.8430 | |
| 228 | Y | A | -0.3135 | |
| 229 | E | A | -0.6572 | |
| 230 | W | A | 0.1867 | |
| 231 | Q | A | 0.0168 | |
| 232 | T | A | 0.0210 | |
| 233 | S | A | -0.0718 | |
| 234 | T | A | -0.1546 | |
| 235 | N | A | 0.0000 | |
| 236 | P | A | 0.2002 | |
| 237 | S | A | 0.9691 | |
| 238 | V | A | 2.4176 | |
| 239 | F | A | 2.6048 | |
| 240 | W | A | 1.3651 | |
| 241 | T | A | -0.1027 | |
| 242 | E | A | -0.9332 | |
| 243 | E | A | -1.0118 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.7732 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.4683 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4017 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0689 | |
| 253 | D | A | -0.7228 | |
| 254 | A | A | -0.3031 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9579 | |
| 258 | L | A | -0.1056 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.9970 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.3206 | |
| 264 | L | A | 0.9450 | |
| 265 | P | A | 1.3490 | |
| 266 | V | A | 1.4170 | |
| 267 | L | A | 1.6742 | |
| 268 | T | A | 0.7781 | |
| 269 | H | A | 0.1192 | |
| 270 | Q | A | 0.1622 | |
| 271 | I | A | 0.2959 | |
| 272 | M | A | 0.2062 | |
| 273 | Y | A | 0.3345 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | -0.1546 | |
| 276 | P | A | -0.6627 | |
| 277 | G | A | -0.4930 | |
| 278 | G | A | -0.2839 | |
| 279 | P | A | 0.1129 | |
| 280 | I | A | 0.9647 | |
| 281 | P | A | 0.2014 | |
| 282 | A | A | -0.2146 | |
| 283 | K | A | -1.0030 | |
| 284 | V | A | 0.4320 | |
| 285 | D | A | -0.8063 | |
| 286 | S | A | -0.3780 | |
| 287 | Y | A | 0.0219 | |
| 288 | E | A | -0.0372 | |
| 289 | W | A | 0.5331 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.1823 | |
| 292 | S | A | 0.0170 | |
| 293 | T | A | -0.1179 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | 0.0955 | |
| 296 | S | A | 0.7913 | |
| 297 | V | A | 2.1259 | |
| 298 | F | A | 2.4218 | |
| 299 | W | A | 1.1961 | |
| 300 | T | A | -0.0161 | |
| 301 | E | A | -0.7690 | |
| 302 | K | A | -0.9444 | |
| 303 | L | A | -0.4289 | |
| 304 | Q | A | -0.3764 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.1502 | |
| 307 | Y | A | 0.5846 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.0872 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -1.0036 | |
| 312 | A | A | -1.2520 | |
| 313 | A | A | -0.6211 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0311 | |
| 317 | P | A | -1.2330 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.8519 | |
| 321 | V | A | -0.0026 | |
| 322 | L | A | -0.3412 | |
| 323 | R | A | -1.2221 | |
| 324 | A | A | 0.2833 | |
| 325 | P | A | 1.1375 | |
| 326 | V | A | 2.0784 | |
| 327 | L | A | 1.9358 | |
| 328 | T | A | 1.4641 | |
| 329 | H | A | 0.1191 | |
| 330 | Q | A | 0.0957 | |
| 331 | I | A | 0.0000 | |
| 332 | M | A | 0.2122 | |
| 333 | Y | A | 0.4417 | |
| 334 | V | A | 0.0000 | |
| 335 | P | A | -0.0502 | |
| 336 | P | A | -0.3972 | |
| 337 | G | A | -0.4923 | |
| 338 | G | A | -0.2163 | |
| 339 | P | A | 0.1543 | |
| 340 | I | A | 0.8747 | |
| 341 | P | A | -0.1391 | |
| 342 | A | A | -0.4889 | |
| 343 | K | A | -1.6594 | |
| 344 | V | A | -0.7867 | |
| 345 | D | A | -1.4596 | |
| 346 | S | A | -0.8128 | |
| 347 | Y | A | -0.0893 | |
| 348 | E | A | -0.1694 | |
| 349 | W | A | 0.4308 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.0979 | |
| 352 | S | A | -0.0984 | |
| 353 | T | A | -0.1389 | |
| 354 | N | A | 0.0000 | |
| 355 | P | A | -0.0603 | |
| 356 | S | A | 0.7749 | |
| 357 | V | A | 2.0665 | |
| 358 | F | A | 2.1690 | |
| 359 | W | A | 1.2766 | |
| 360 | T | A | 0.0239 | |
| 361 | E | A | -0.6567 | |
| 362 | E | A | -0.6529 | |
| 363 | L | A | -0.2174 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.5488 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1273 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9954 | |
| 372 | E | A | -2.3094 | |
| 373 | A | A | -1.1759 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.7452 | |
| 377 | V | A | -1.7706 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.8000 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.5417 | |
| 383 | K | A | -2.4000 | |
| 384 | D | A | -2.1974 | |
| 385 | P | A | -0.8121 | |
| 386 | V | A | 0.2447 | |
| 387 | L | A | 0.8807 | |
| 388 | T | A | 0.9929 | |
| 389 | H | A | -0.1237 | |
| 390 | Q | A | -0.0606 | |
| 391 | I | A | 0.0000 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.1478 | |
| 394 | V | A | 0.0000 | |
| 395 | P | A | -0.1347 | |
| 396 | P | A | -0.5656 | |
| 397 | G | A | -0.5385 | |
| 398 | G | A | -0.3459 | |
| 399 | P | A | -0.0519 | |
| 400 | I | A | 0.5884 | |
| 401 | P | A | -0.0724 | |
| 402 | A | A | -0.3091 | |
| 403 | K | A | -1.2557 | |
| 404 | V | A | 0.1436 | |
| 405 | D | A | -1.0468 | |
| 406 | S | A | -0.5990 | |
| 407 | Y | A | -0.2740 | |
| 408 | E | A | -0.5389 | |
| 409 | W | A | 0.1638 | |
| 410 | Q | A | -0.0651 | |
| 411 | T | A | 0.0056 | |
| 412 | S | A | -0.1146 | |
| 413 | T | A | -0.1746 | |
| 414 | N | A | 0.0000 | |
| 415 | P | A | 0.0879 | |
| 416 | S | A | 0.8073 | |
| 417 | V | A | 2.1813 | |
| 418 | F | A | 2.1821 | |
| 419 | W | A | 1.1416 | |
| 420 | T | A | 0.1009 | |
| 421 | E | A | -0.6047 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.1356 | |
| 424 | K | A | -0.2564 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.5471 | |
| 427 | S | A | -1.0741 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6267 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6140 | |
| 432 | S | A | -1.4417 | |
| 433 | D | A | -2.7329 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.7753 | |
| 437 | D | A | -2.3631 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.5976 | |
| 440 | G | A | -0.9720 | |
| 441 | I | A | -0.2464 | |
| 442 | V | A | 0.2030 | |
| 443 | A | A | 0.4998 | |
| 444 | S | A | 0.4803 | |
| 445 | P | A | 0.6077 | |
| 446 | V | A | 0.6619 | |
| 447 | L | A | 1.2226 | |
| 448 | T | A | 1.0876 | |
| 449 | H | A | 0.0409 | |
| 450 | Q | A | 0.0991 | |
| 451 | I | A | 0.0000 | |
| 452 | M | A | 0.1096 | |
| 453 | Y | A | 0.2699 | |
| 454 | V | A | 0.0000 | |
| 455 | P | A | -0.1520 | |
| 456 | P | A | -0.6218 | |
| 457 | G | A | -0.6275 | |
| 458 | G | A | -0.3170 | |
| 459 | P | A | 0.0180 | |
| 460 | I | A | 0.7528 | |
| 461 | P | A | -0.1242 | |
| 462 | A | A | -0.5823 | |
| 463 | K | A | -1.5494 | |
| 464 | V | A | -0.7073 | |
| 465 | D | A | -1.5239 | |
| 466 | S | A | -0.7051 | |
| 467 | Y | A | -0.0527 | |
| 468 | E | A | -0.1259 | |
| 469 | W | A | 0.4287 | |
| 470 | Q | A | 0.0808 | |
| 471 | T | A | 0.0753 | |
| 472 | S | A | -0.1014 | |
| 473 | T | A | -0.1516 | |
| 474 | N | A | 0.0000 | |
| 475 | P | A | -0.0387 | |
| 476 | S | A | 0.6815 | |
| 477 | V | A | 1.7488 | |
| 478 | F | A | 1.7830 | |
| 479 | W | A | 0.8792 | |
| 480 | T | A | -0.0569 | |
| 481 | E | A | -0.7486 | |
| 482 | E | A | -0.5870 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2306 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2415 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.7894 | |
| 492 | D | A | -0.5086 | |
| 493 | V | A | 0.7139 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3912 | |
| 497 | E | A | -1.0274 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.3020 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.6920 | |
| 503 | L | A | 1.0660 | |
| 504 | P | A | 1.0317 | |
| 505 | P | A | 0.8687 | |
| 506 | L | A | 1.5785 | |
| 507 | T | A | 0.7140 | |
| 508 | H | A | 0.0988 | |
| 509 | Q | A | -0.0024 | |
| 510 | V | A | 0.0000 | |
| 511 | M | A | 0.3550 | |
| 512 | Y | A | 0.2762 | |
| 513 | V | A | 0.0000 | |
| 514 | P | A | -0.1193 | |
| 515 | P | A | -0.5956 | |
| 516 | G | A | -0.4820 | |
| 517 | G | A | -0.1214 | |
| 518 | P | A | 0.0632 | |
| 519 | I | A | 0.9339 | |
| 520 | P | A | -0.1504 | |
| 521 | K | A | -1.4287 | |
| 522 | S | A | -0.7947 | |
| 523 | Y | A | 0.1110 | |
| 524 | E | A | -1.2649 | |
| 525 | D | A | -0.5319 | |
| 526 | F | A | 0.3467 | |
| 527 | A | A | 0.8074 | |
| 528 | W | A | 0.9368 | |
| 529 | Q | A | 0.0000 | |
| 530 | T | A | 0.1950 | |
| 531 | S | A | -0.0875 | |
| 532 | T | A | -0.1173 | |
| 533 | N | A | 0.0000 | |
| 534 | P | A | 0.0451 | |
| 535 | S | A | 0.6043 | |
| 536 | V | A | 1.7804 | |
| 537 | F | A | 1.6286 | |
| 538 | W | A | 0.8543 | |
| 539 | T | A | -0.1108 | |
| 540 | E | A | -0.7639 | |
| 541 | T | A | -0.5349 | |
| 542 | L | A | 0.0000 | |
| 543 | W | A | 0.0012 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6576 | |
| 546 | E | A | -2.3059 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.9029 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6351 | |
| 551 | A | A | -1.8332 | |
| 552 | K | A | -2.1293 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.7817 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.0273 | |
| 560 | V | A | -0.6798 | |
| 561 | L | A | -0.2194 | |
| 562 | R | A | -1.1379 | |
| 563 | A | A | -0.2379 | |
| 564 | P | A | 0.1019 | |
| 565 | P | A | 0.9962 | |
| 566 | L | A | 1.4269 | |
| 567 | T | A | 0.7340 | |
| 568 | H | A | 0.0634 | |
| 569 | Q | A | -0.2570 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.5456 | |
| 573 | V | A | 0.0000 | |
| 574 | P | A | 0.0156 | |
| 575 | P | A | -0.4855 | |
| 576 | G | A | -0.4720 | |
| 577 | G | A | 0.0520 | |
| 578 | P | A | 0.2176 | |
| 579 | I | A | 1.2364 | |
| 580 | P | A | -0.0673 | |
| 581 | K | A | -1.4492 | |
| 582 | S | A | -0.8544 | |
| 583 | Y | A | -0.1983 | |
| 584 | E | A | -1.5519 | |
| 585 | D | A | -0.7330 | |
| 586 | F | A | 0.0986 | |
| 587 | A | A | 0.6629 | |
| 588 | W | A | 0.8513 | |
| 589 | Q | A | 0.2167 | |
| 590 | T | A | 0.0962 | |
| 591 | S | A | -0.1183 | |
| 592 | T | A | -0.1477 | |
| 593 | N | A | 0.0000 | |
| 594 | P | A | -0.0881 | |
| 595 | S | A | 0.6114 | |
| 596 | V | A | 1.6915 | |
| 597 | F | A | 1.7186 | |
| 598 | W | A | 0.8909 | |
| 599 | T | A | -0.0812 | |
| 600 | E | A | -0.7988 | |
| 601 | E | A | -0.5916 | |
| 602 | L | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8487 | |
| 606 | G | A | -1.4853 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5394 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4228 | |
| 611 | D | A | -1.5336 | |
| 612 | E | A | -1.8396 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.3577 | |
| 616 | L | A | -1.2775 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -0.8366 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.4082 | |
| 622 | L | A | 0.6952 | |
| 623 | P | A | 0.6348 | |
| 624 | P | A | 0.6321 | |
| 625 | L | A | 1.4835 | |
| 626 | T | A | 0.6202 | |
| 627 | H | A | 0.0656 | |
| 628 | Q | A | 0.0451 | |
| 629 | V | A | 0.5007 | |
| 630 | M | A | 0.4160 | |
| 631 | Y | A | 0.6139 | |
| 632 | V | A | 0.0000 | |
| 633 | P | A | 0.0190 | |
| 634 | P | A | -0.4768 | |
| 635 | G | A | -0.5056 | |
| 636 | G | A | -0.0117 | |
| 637 | P | A | 0.1385 | |
| 638 | I | A | 1.0698 | |
| 639 | P | A | 0.0000 | |
| 640 | K | A | -1.4670 | |
| 641 | S | A | -0.7914 | |
| 642 | Y | A | 0.1263 | |
| 643 | E | A | -1.3075 | |
| 644 | D | A | -0.5818 | |
| 645 | F | A | 0.3382 | |
| 646 | A | A | 0.8250 | |
| 647 | W | A | 1.0749 | |
| 648 | Q | A | 0.4580 | |
| 649 | T | A | 0.2489 | |
| 650 | S | A | -0.0509 | |
| 651 | T | A | -0.1408 | |
| 652 | N | A | 0.0000 | |
| 653 | P | A | 0.1213 | |
| 654 | S | A | 0.7804 | |
| 655 | V | A | 2.0051 | |
| 656 | F | A | 1.7568 | |
| 657 | W | A | 0.9328 | |
| 658 | T | A | -0.0773 | |
| 659 | E | A | -0.7579 | |
| 660 | S | A | -0.4659 | |
| 661 | L | A | -0.1608 | |
| 662 | W | A | 0.1064 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.8210 | |
| 665 | S | A | -1.5435 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.4677 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0901 | |
| 670 | A | A | -1.2302 | |
| 671 | A | A | -0.6839 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9338 | |
| 675 | H | A | -0.9072 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.7333 | |
| 678 | S | A | -0.5000 | |
| 679 | V | A | 0.1896 | |
| 680 | L | A | 0.2946 | |
| 681 | A | A | -0.2010 | |
| 682 | Q | A | -0.0889 | |
| 683 | P | A | 0.2975 | |
| 684 | P | A | 0.8717 | |
| 685 | L | A | 1.3541 | |
| 686 | T | A | 0.7531 | |
| 687 | H | A | -0.1018 | |
| 688 | Q | A | -0.0277 | |
| 689 | V | A | 0.3260 | |
| 690 | M | A | 0.3041 | |
| 691 | Y | A | 0.6270 | |
| 692 | V | A | 0.0000 | |
| 693 | P | A | -0.0684 | |
| 694 | P | A | -0.4921 | |
| 695 | G | A | -0.5183 | |
| 696 | G | A | -0.0914 | |
| 697 | P | A | 0.1173 | |
| 698 | I | A | 1.1537 | |
| 699 | P | A | -0.1053 | |
| 700 | K | A | -1.4664 | |
| 701 | S | A | -1.0584 | |
| 702 | Y | A | -0.2466 | |
| 703 | E | A | -1.4982 | |
| 704 | D | A | -0.7003 | |
| 705 | F | A | 0.1542 | |
| 706 | A | A | 0.5187 | |
| 707 | W | A | 0.7521 | |
| 708 | Q | A | 0.1864 | |
| 709 | T | A | 0.1473 | |
| 710 | S | A | -0.0834 | |
| 711 | T | A | -0.1145 | |
| 712 | N | A | 0.0000 | |
| 713 | P | A | -0.0446 | |
| 714 | S | A | 0.4674 | |
| 715 | V | A | 1.6390 | |
| 716 | F | A | 1.5908 | |
| 717 | W | A | 0.8501 | |
| 718 | T | A | -0.0015 | |
| 719 | E | A | -0.6433 | |
| 720 | E | A | -0.4349 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | -0.0817 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.0098 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.1059 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.8871 | |
| 730 | D | A | -2.2287 | |
| 731 | A | A | -1.5034 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.5907 | |
| 735 | E | A | -2.4636 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.6548 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | 0.0770 | |
| 741 | I | A | 1.0972 | |
| 742 | P | A | 0.9323 | |
| 743 | P | A | 0.6779 | |
| 744 | L | A | 1.5838 | |
| 745 | T | A | 0.3961 | |
| 746 | H | A | -0.5292 | |
| 747 | Q | A | -0.7019 | |
| 748 | V | A | 0.0000 | |
| 749 | M | A | 0.1725 | |
| 750 | Y | A | 0.4497 | |
| 751 | V | A | 0.7042 | |
| 752 | P | A | 0.0685 | |
| 753 | P | A | -0.4742 | |
| 754 | G | A | -0.4560 | |
| 755 | G | A | 0.0547 | |
| 756 | P | A | 0.2328 | |
| 757 | I | A | 1.1682 | |
| 758 | P | A | 0.0000 | |
| 759 | K | A | -1.4035 | |
| 760 | S | A | -0.9821 | |
| 761 | Y | A | -0.2406 | |
| 762 | E | A | -1.8042 | |
| 763 | D | A | -0.5880 | |
| 764 | F | A | 0.2092 | |
| 765 | A | A | 0.7908 | |
| 766 | W | A | 1.0538 | |
| 767 | Q | A | 0.4092 | |
| 768 | T | A | 0.2573 | |
| 769 | S | A | -0.0944 | |
| 770 | T | A | -0.1615 | |
| 771 | N | A | 0.0000 | |
| 772 | P | A | -0.1144 | |
| 773 | S | A | 0.5442 | |
| 774 | V | A | 1.6971 | |
| 775 | F | A | 1.7948 | |
| 776 | W | A | 0.9589 | |
| 777 | T | A | 0.0552 | |
| 778 | E | A | -0.6057 | |
| 779 | V | A | -0.1964 | |
| 780 | L | A | 0.0977 | |
| 781 | W | A | 0.0868 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.3909 | |
| 784 | D | A | -2.9340 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.2637 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.8587 | |
| 789 | D | A | -0.8511 | |
| 790 | S | A | -0.8528 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5331 | |
| 794 | S | A | -0.9048 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.5564 | |
| 798 | T | A | 0.6803 | |
| 799 | L | A | 1.0626 | |
| 800 | L | A | 1.2044 | |
| 801 | Y | A | 2.1725 | |
| 802 | P | A | 1.5435 | |
| 803 | P | A | 1.6694 | |
| 804 | L | A | 1.9359 | |
| 805 | T | A | 0.8012 | |
| 806 | H | A | -0.5360 | |
| 807 | Q | A | -0.1707 | |
| 808 | V | A | 0.3446 | |
| 809 | M | A | 0.3661 | |
| 810 | Y | A | 0.7732 | |
| 811 | V | A | 0.0000 | |
| 812 | P | A | 0.0400 | |
| 813 | P | A | -0.4538 | |
| 814 | G | A | -0.5088 | |
| 815 | G | A | -0.0302 | |
| 816 | P | A | 0.1042 | |
| 817 | I | A | 1.0340 | |
| 818 | P | A | 0.0000 | |
| 819 | K | A | -1.5194 | |
| 820 | S | A | -1.1277 | |
| 821 | Y | A | -0.1176 | |
| 822 | E | A | -1.5622 | |
| 823 | D | A | -0.6679 | |
| 824 | F | A | 0.4300 | |
| 825 | A | A | 0.8463 | |
| 826 | W | A | 1.1046 | |
| 827 | Q | A | 0.4187 | |
| 828 | T | A | 0.2525 | |
| 829 | S | A | -0.1307 | |
| 830 | T | A | -0.1854 | |
| 831 | N | A | 0.0000 | |
| 832 | P | A | -0.2331 | |
| 833 | S | A | 0.6244 | |
| 834 | V | A | 1.8857 | |
| 835 | F | A | 1.9003 | |
| 836 | W | A | 0.9906 | |
| 837 | T | A | -0.0302 | |
| 838 | E | A | -0.7316 | |
| 839 | E | A | -0.5000 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -2.1937 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.4797 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.0817 | |
| 849 | D | A | -1.1779 | |
| 850 | A | A | -0.5803 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.5585 | |
| 854 | Q | A | -0.8754 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | -0.3900 | |
| 857 | E | A | -1.2543 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.2021 | |
| 860 | R | A | -1.2643 | |
| 861 | P | A | -0.1877 | |
| 862 | P | A | 0.2846 | |
| 863 | L | A | 0.9831 | |
| 864 | T | A | 0.6989 | |
| 865 | H | A | 0.1514 | |
| 866 | Q | A | -0.0264 | |
| 867 | V | A | 0.5633 | |
| 868 | M | A | 0.3718 | |
| 869 | Y | A | 0.8278 | |
| 870 | V | A | 0.7984 | |
| 871 | P | A | 0.0813 | |
| 872 | P | A | -0.4510 | |
| 873 | G | A | -0.4636 | |
| 874 | G | A | 0.0315 | |
| 875 | P | A | 0.2956 | |
| 876 | I | A | 1.4927 | |
| 877 | P | A | 0.0000 | |
| 878 | K | A | -1.3276 | |
| 879 | S | A | -0.6647 | |
| 880 | Y | A | -0.0041 | |
| 881 | E | A | -1.3896 | |
| 882 | D | A | -0.5054 | |
| 883 | F | A | 0.2457 | |
| 884 | A | A | 0.4435 | |
| 885 | W | A | 0.6189 | |
| 886 | Q | A | 0.2562 | |
| 887 | T | A | 0.0507 | |
| 888 | S | A | -0.2990 | |
| 889 | T | A | -0.3316 | |
| 890 | N | A | -0.1360 | |
| 891 | P | A | -0.1223 | |
| 892 | S | A | 0.7468 | |
| 893 | V | A | 2.5048 | |
| 894 | F | A | 2.0610 | |
| 895 | W | A | 1.3333 | |
| 896 | T | A | -0.3381 | |
| 897 | E | A | -1.1824 | |
| 898 | Q | A | -0.3116 | |
| 899 | L | A | 0.8212 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.1689 | |
| 902 | Y | A | -0.1868 | |
| 903 | D | A | -1.6393 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6582 | |
| 906 | W | A | -0.3766 | |
| 907 | S | A | -1.8965 | |
| 908 | E | A | -3.5287 | |
| 909 | E | A | -4.1083 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.4201 | |
| 912 | D | A | -4.4884 | |
| 913 | R | A | -3.9927 | |
| 914 | L | A | -3.0460 | |
| 915 | Q | A | -3.8992 | |
| 916 | A | A | -3.2225 | |
| 917 | L | A | -2.7347 | |
| 918 | E | A | -3.6557 | |
| 919 | K | A | -3.8782 | |
| 920 | D | A | -3.2642 | |
| 921 | P | A | -2.2647 | |
| 922 | P | A | -1.1887 | |
| 923 | L | A | -0.2617 | |
| 924 | T | A | 0.7896 | |
| 925 | H | A | -0.1390 | |
| 926 | Q | A | 0.1557 | |
| 927 | V | A | 0.4665 | |
| 928 | M | A | 0.0561 | |
| 929 | Y | A | 0.2979 | |
| 930 | V | A | 0.4683 | |
| 931 | P | A | -0.0099 | |
| 932 | P | A | -0.4936 | |
| 933 | G | A | -0.4956 | |
| 934 | G | A | -0.0559 | |
| 935 | P | A | 0.1076 | |
| 936 | I | A | 1.0451 | |
| 937 | P | A | 0.0958 | |
| 938 | K | A | -1.3947 | |
| 939 | S | A | -0.7782 | |
| 940 | Y | A | -0.1294 | |
| 941 | E | A | -1.2826 | |
| 942 | D | A | -0.3739 | |
| 943 | F | A | 0.7328 | |
| 944 | A | A | 0.4605 | |
| 945 | W | A | 0.3328 | |
| 946 | Q | A | -0.8151 | |
| 947 | T | A | -0.8991 | |
| 948 | S | A | -0.8037 | |
| 949 | T | A | -0.7345 | |
| 950 | N | A | -0.8795 | |
| 951 | P | A | -0.2765 | |
| 952 | S | A | 0.7493 | |
| 953 | V | A | 2.9465 | |
| 954 | F | A | 3.3160 | |
| 955 | W | A | 1.8892 | |
| 956 | T | A | -0.2639 | |
| 957 | E | A | -2.0784 | |
| 958 | R | A | -1.5004 | |
| 959 | V | A | 0.7431 | |
| 960 | I | A | 1.4582 | |
| 961 | S | A | 0.6830 |
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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, -0.1497 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 | -0.1497 | View | CSV | PDB |
| model_8 | -0.3847 | View | CSV | PDB |
| model_6 | -0.399 | View | CSV | PDB |
| model_11 | -0.406 | View | CSV | PDB |
| model_9 | -0.4065 | View | CSV | PDB |
| model_7 | -0.4125 | View | CSV | PDB |
| CABS_average | -0.417 | View | CSV | PDB |
| model_2 | -0.4171 | View | CSV | PDB |
| model_5 | -0.4186 | View | CSV | PDB |
| model_1 | -0.4192 | View | CSV | PDB |
| model_4 | -0.4202 | View | CSV | PDB |
| model_0 | -0.4219 | View | CSV | PDB |
| model_10 | -0.4449 | View | CSV | PDB |
| model_3 | -0.4528 | 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