Project name: C42_B3_EF_GSG
Status: done
Started: 2026-07-21 11:10:07
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGEAEMGCATLDNTPSSAELLGGSGVRLDDCGLTEARCKDISSALRVGSGEAEMGCATLDNTPSSAELLGGSGELNLRSNELGDVGVHCVLQGLQGSGEAEMGCATLDNTPSSAELLGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGEAEMGCATLDNTPSSAELLGGSGELHLSDNLLGDAGLQLLCEGLLGSGEAEMGCATLDNTPSSAELLGGSGKLQLEYCSLSAASCEPLASVLRAGSGEAEMGCATLDNTPSSAELLGGSGELTVSNNDINEAGVRVLCQGLKDGSGEAEMGCATLDNTPSSAELLGGSGALKLESCGVTSDNCRDLCGIVASGSGEAEMGCATLDNTPSSAELLGGSGELALGSNKLGDVGMAELCPGLLGSGEAEMGCATLDNTPSSAELLGGSGTLWIWECGITAKGCGDLCRVLRAGSGEAEMGCATLDNTPSSAELLGGSGELSLAGNELGDEGARLLCETLLGSGEAEMGCATLDNTPSSAELLGGSGSLWVKSCSFTAACCSHFSSVLAQGSGEAEMGCATLDNTPSSAELLGGSGELQISNNRLEDAGVRELCQGLGGSGEAEMGCATLDNTPSSAELLGGSGVLWLADCDVSDSSCSSLAATLLAGSGEAEMGCATLDNTPSSAELLGGSGELDLSNNCLGDAGILQLVESVRGSGEAEMGCATLDNTPSSAELLGGSGQLVLYDIYWSEEMEDRLQALEKDGSGEAEMGCATLDNTPSSAELLGGSGRVIS
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 (00:06:42)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (01:57:38)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (01:57:44)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (01:57:49)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (01:57:54)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (01:57:59)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (01:58:04)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (01:58:10)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (01:58:15)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (01:58:20)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (01:58:25)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (01:58:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (01:58:36)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (01:58:41)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:58:54)
[INFO] Main: Simulation completed successfully. (01:58:59)
|
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
- -3.7444
- Maximal score value
- 1.9951
- Average score
- -0.6889
- Total score value
- -540.8019
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 | -0.0442 | |
| 2 | L | A | 1.2501 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 1.9951 | |
| 5 | Q | A | 0.7209 | |
| 6 | S | A | -0.2339 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.0225 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.1796 | |
| 11 | C | A | -1.3383 | |
| 12 | E | A | -2.5440 | |
| 13 | E | A | -3.2700 | |
| 14 | L | A | -1.9706 | |
| 15 | S | A | -2.2369 | |
| 16 | D | A | -2.7322 | |
| 17 | A | A | -2.2619 | |
| 18 | R | A | -3.5763 | |
| 19 | W | A | -2.5184 | |
| 20 | A | A | -1.8043 | |
| 21 | E | A | -2.3708 | |
| 22 | L | A | -1.3339 | |
| 23 | L | A | -0.5117 | |
| 24 | P | A | -0.5742 | |
| 25 | L | A | 0.5435 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.2014 | |
| 28 | G | A | -0.7610 | |
| 29 | S | A | -0.3398 | |
| 30 | G | A | -0.2223 | |
| 31 | E | A | -0.6950 | |
| 32 | A | A | -0.7534 | |
| 33 | E | A | -1.1902 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | C | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.0780 | |
| 39 | L | A | -0.6621 | |
| 40 | D | A | -2.0211 | |
| 41 | N | A | -1.6076 | |
| 42 | T | A | -1.1753 | |
| 43 | P | A | -0.9397 | |
| 44 | S | A | -0.6793 | |
| 45 | S | A | -1.1280 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -1.4254 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.9380 | |
| 50 | G | A | 0.0000 | |
| 51 | G | A | 0.7839 | |
| 52 | S | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -2.0141 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -1.8934 | |
| 58 | D | A | -2.0063 | |
| 59 | C | A | -1.3077 | |
| 60 | G | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.2327 | |
| 63 | E | A | -1.3352 | |
| 64 | A | A | -1.0564 | |
| 65 | R | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -1.3735 | |
| 68 | D | A | -1.3488 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -1.3492 | |
| 71 | S | A | -1.3273 | |
| 72 | A | A | -1.0998 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -2.5285 | |
| 75 | V | A | -1.3562 | |
| 76 | G | A | -1.2273 | |
| 77 | S | A | -1.8415 | |
| 78 | G | A | -1.8484 | |
| 79 | E | A | -2.2884 | |
| 80 | A | A | -1.8407 | |
| 81 | E | A | 0.0000 | |
| 82 | M | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.1224 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -1.4866 | |
| 89 | N | A | -2.0023 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -1.0726 | |
| 92 | S | A | -0.6219 | |
| 93 | S | A | -0.9557 | |
| 94 | A | A | 0.0000 | |
| 95 | E | A | -1.2599 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | 0.4512 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | 0.3120 | |
| 100 | S | A | -0.0513 | |
| 101 | G | A | 0.0000 | |
| 102 | E | A | -0.6868 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -1.1327 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -1.9110 | |
| 107 | S | A | -1.8335 | |
| 108 | N | A | -2.4892 | |
| 109 | E | A | -2.8917 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -1.0084 | |
| 112 | D | A | -0.4196 | |
| 113 | V | A | 0.9189 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.2234 | |
| 117 | C | A | -0.5410 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.6366 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.7006 | |
| 124 | G | A | -1.9224 | |
| 125 | S | A | -1.4916 | |
| 126 | G | A | -1.9993 | |
| 127 | E | A | -2.5546 | |
| 128 | A | A | 0.0000 | |
| 129 | E | A | -1.3117 | |
| 130 | M | A | 0.0000 | |
| 131 | G | A | -0.2500 | |
| 132 | C | A | 0.0585 | |
| 133 | A | A | 0.0000 | |
| 134 | T | A | -0.6551 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -2.3531 | |
| 137 | N | A | -2.0807 | |
| 138 | T | A | -1.3954 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.5416 | |
| 141 | S | A | -0.8079 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.2915 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.3553 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | -0.0301 | |
| 148 | S | A | -0.3193 | |
| 149 | G | A | 0.0000 | |
| 150 | K | A | -0.4355 | |
| 151 | L | A | -0.1997 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.5318 | |
| 155 | N | A | -1.7443 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | -0.5543 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | 0.1925 | |
| 160 | G | A | -0.0359 | |
| 161 | A | A | 0.1266 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.0077 | |
| 165 | V | A | -0.0957 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | S | A | -0.9643 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | R | A | -2.4200 | |
| 172 | T | A | -1.7264 | |
| 173 | G | A | -1.9585 | |
| 174 | S | A | -1.4983 | |
| 175 | G | A | 0.0000 | |
| 176 | E | A | -2.7354 | |
| 177 | A | A | -1.3099 | |
| 178 | E | A | -0.9512 | |
| 179 | M | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | C | A | 0.0372 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | -0.9962 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -2.9944 | |
| 186 | N | A | -2.6747 | |
| 187 | T | A | -1.5616 | |
| 188 | P | A | 0.0000 | |
| 189 | S | A | -0.6552 | |
| 190 | S | A | -0.7474 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -1.3103 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.2723 | |
| 195 | G | A | 0.0000 | |
| 196 | G | A | -0.0740 | |
| 197 | S | A | -0.3750 | |
| 198 | G | A | 0.0000 | |
| 199 | E | A | -0.5546 | |
| 200 | L | A | 0.0000 | |
| 201 | H | A | -0.5992 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | D | A | -0.5159 | |
| 205 | N | A | -0.2929 | |
| 206 | L | A | 1.0264 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | 0.3024 | |
| 209 | D | A | -0.3559 | |
| 210 | A | A | 0.0417 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -0.9679 | |
| 214 | L | A | 0.4840 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.2562 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | -0.8301 | |
| 221 | G | A | -1.7694 | |
| 222 | S | A | -1.7431 | |
| 223 | G | A | -1.8226 | |
| 224 | E | A | -2.3988 | |
| 225 | A | A | -1.6399 | |
| 226 | E | A | -0.9834 | |
| 227 | M | A | -0.3310 | |
| 228 | G | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | T | A | -1.1081 | |
| 232 | L | A | 0.0000 | |
| 233 | D | A | -3.0383 | |
| 234 | N | A | -2.1976 | |
| 235 | T | A | -1.1894 | |
| 236 | P | A | -0.9189 | |
| 237 | S | A | -0.4737 | |
| 238 | S | A | -0.6422 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -1.0488 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.2365 | |
| 243 | G | A | 0.0000 | |
| 244 | G | A | -0.0624 | |
| 245 | S | A | -0.3767 | |
| 246 | G | A | 0.0000 | |
| 247 | K | A | -0.8014 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -0.6400 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.0057 | |
| 252 | Y | A | -0.2290 | |
| 253 | C | A | 0.2295 | |
| 254 | S | A | -0.1822 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -0.8819 | |
| 257 | A | A | -1.1883 | |
| 258 | A | A | -0.8971 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -2.1003 | |
| 262 | P | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.4147 | |
| 266 | V | A | -0.9006 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -2.9916 | |
| 269 | A | A | -1.7522 | |
| 270 | G | A | -1.2889 | |
| 271 | S | A | 0.0000 | |
| 272 | G | A | -1.9592 | |
| 273 | E | A | -1.8106 | |
| 274 | A | A | -0.8932 | |
| 275 | E | A | 0.0000 | |
| 276 | M | A | -0.1258 | |
| 277 | G | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | T | A | -0.8532 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -2.7973 | |
| 283 | N | A | -1.8625 | |
| 284 | T | A | -0.7708 | |
| 285 | P | A | 0.0000 | |
| 286 | S | A | -0.4866 | |
| 287 | S | A | -0.5930 | |
| 288 | A | A | 0.0000 | |
| 289 | E | A | -1.0427 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.3942 | |
| 292 | G | A | 0.0000 | |
| 293 | G | A | -0.0204 | |
| 294 | S | A | -0.3074 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -0.7956 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | -0.6647 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -1.0332 | |
| 302 | N | A | 0.0000 | |
| 303 | D | A | -1.4948 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -2.0363 | |
| 306 | E | A | -2.7197 | |
| 307 | A | A | -1.6781 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.6681 | |
| 311 | V | A | -1.5956 | |
| 312 | L | A | -1.2681 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -2.7793 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -3.2868 | |
| 318 | D | A | -3.6459 | |
| 319 | G | A | 0.0000 | |
| 320 | S | A | 0.0000 | |
| 321 | G | A | -2.7217 | |
| 322 | E | A | -3.0790 | |
| 323 | A | A | -1.8555 | |
| 324 | E | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | C | A | 0.3598 | |
| 328 | A | A | -0.0520 | |
| 329 | T | A | -0.5959 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | -2.4951 | |
| 332 | N | A | -1.8349 | |
| 333 | T | A | -1.4787 | |
| 334 | P | A | 0.0000 | |
| 335 | S | A | -0.4822 | |
| 336 | S | A | -0.5662 | |
| 337 | A | A | 0.0000 | |
| 338 | E | A | -0.9207 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.3580 | |
| 341 | G | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | -0.3804 | |
| 346 | L | A | -0.2296 | |
| 347 | K | A | -0.5269 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | -1.2466 | |
| 350 | S | A | -1.0871 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -1.9009 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -2.2831 | |
| 355 | S | A | -1.8083 | |
| 356 | D | A | -2.9960 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.8167 | |
| 360 | D | A | -2.4622 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | -0.8765 | |
| 363 | G | A | -1.0158 | |
| 364 | I | A | -1.0190 | |
| 365 | V | A | 0.0466 | |
| 366 | A | A | -0.7303 | |
| 367 | S | A | -1.3011 | |
| 368 | G | A | 0.0000 | |
| 369 | S | A | -1.1298 | |
| 370 | G | A | -1.7742 | |
| 371 | E | A | -2.2906 | |
| 372 | A | A | -1.0944 | |
| 373 | E | A | 0.0000 | |
| 374 | M | A | -0.2447 | |
| 375 | G | A | 0.0000 | |
| 376 | C | A | 0.0663 | |
| 377 | A | A | 0.0000 | |
| 378 | T | A | -1.1371 | |
| 379 | L | A | 0.0000 | |
| 380 | D | A | -3.2542 | |
| 381 | N | A | -3.0744 | |
| 382 | T | A | 0.0000 | |
| 383 | P | A | -1.0133 | |
| 384 | S | A | -0.8895 | |
| 385 | S | A | -1.3112 | |
| 386 | A | A | 0.0000 | |
| 387 | E | A | -1.1508 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.3732 | |
| 390 | G | A | 0.2691 | |
| 391 | G | A | 0.0350 | |
| 392 | S | A | -0.2972 | |
| 393 | G | A | 0.0000 | |
| 394 | E | A | -0.4645 | |
| 395 | L | A | 0.0959 | |
| 396 | A | A | 0.0000 | |
| 397 | L | A | -0.0804 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | N | A | -2.4546 | |
| 401 | K | A | -2.6037 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -0.7610 | |
| 404 | D | A | -0.5614 | |
| 405 | V | A | 0.6392 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.5367 | |
| 409 | E | A | -1.0382 | |
| 410 | L | A | -0.4102 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.8035 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | -0.1187 | |
| 415 | L | A | -0.5859 | |
| 416 | G | A | -0.6985 | |
| 417 | S | A | -1.2622 | |
| 418 | G | A | -1.5079 | |
| 419 | E | A | -2.1873 | |
| 420 | A | A | 0.0000 | |
| 421 | E | A | -0.9447 | |
| 422 | M | A | -0.2730 | |
| 423 | G | A | 0.0000 | |
| 424 | C | A | 0.0005 | |
| 425 | A | A | 0.0000 | |
| 426 | T | A | -0.7816 | |
| 427 | L | A | 0.0000 | |
| 428 | D | A | -3.3873 | |
| 429 | N | A | -2.7999 | |
| 430 | T | A | 0.0000 | |
| 431 | P | A | -0.9752 | |
| 432 | S | A | -0.7219 | |
| 433 | S | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | E | A | -1.0137 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | 0.5192 | |
| 438 | G | A | 0.2667 | |
| 439 | G | A | -0.0914 | |
| 440 | S | A | -0.4909 | |
| 441 | G | A | 0.0000 | |
| 442 | T | A | -0.3497 | |
| 443 | L | A | 0.0000 | |
| 444 | W | A | 0.2060 | |
| 445 | I | A | 0.0000 | |
| 446 | W | A | -0.5909 | |
| 447 | E | A | -1.5403 | |
| 448 | C | A | 0.0000 | |
| 449 | G | A | -1.3222 | |
| 450 | I | A | 0.0000 | |
| 451 | T | A | -1.3676 | |
| 452 | A | A | -1.9022 | |
| 453 | K | A | -1.9432 | |
| 454 | G | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | G | A | -1.8061 | |
| 457 | D | A | -1.5501 | |
| 458 | L | A | 0.0000 | |
| 459 | C | A | -1.6957 | |
| 460 | R | A | -2.3312 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.2460 | |
| 463 | R | A | -2.9947 | |
| 464 | A | A | -1.9213 | |
| 465 | G | A | 0.0000 | |
| 466 | S | A | 0.0000 | |
| 467 | G | A | -2.1819 | |
| 468 | E | A | -2.8250 | |
| 469 | A | A | -1.5570 | |
| 470 | E | A | 0.0000 | |
| 471 | M | A | 0.0000 | |
| 472 | G | A | 0.0000 | |
| 473 | C | A | 0.0000 | |
| 474 | A | A | 0.0000 | |
| 475 | T | A | -0.7858 | |
| 476 | L | A | 0.0000 | |
| 477 | D | A | -2.6367 | |
| 478 | N | A | 0.0000 | |
| 479 | T | A | -1.3514 | |
| 480 | P | A | -0.7245 | |
| 481 | S | A | -0.4825 | |
| 482 | S | A | -0.6918 | |
| 483 | A | A | 0.0000 | |
| 484 | E | A | -0.7447 | |
| 485 | L | A | 0.0000 | |
| 486 | L | A | 0.4023 | |
| 487 | G | A | 0.0000 | |
| 488 | G | A | -0.1392 | |
| 489 | S | A | 0.0000 | |
| 490 | G | A | 0.0000 | |
| 491 | E | A | -0.6525 | |
| 492 | L | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | A | A | 0.0000 | |
| 496 | G | A | -0.9727 | |
| 497 | N | A | 0.0000 | |
| 498 | E | A | -1.0402 | |
| 499 | L | A | 0.0000 | |
| 500 | G | A | -1.6241 | |
| 501 | D | A | -2.1402 | |
| 502 | E | A | -2.9203 | |
| 503 | G | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | R | A | -2.1689 | |
| 506 | L | A | -1.7965 | |
| 507 | L | A | 0.0000 | |
| 508 | C | A | 0.0000 | |
| 509 | E | A | -2.2957 | |
| 510 | T | A | -1.7926 | |
| 511 | L | A | 0.0000 | |
| 512 | L | A | -1.3536 | |
| 513 | G | A | -1.7379 | |
| 514 | S | A | -1.7497 | |
| 515 | G | A | -2.0007 | |
| 516 | E | A | -2.9951 | |
| 517 | A | A | 0.0000 | |
| 518 | E | A | -1.4164 | |
| 519 | M | A | 0.0000 | |
| 520 | G | A | 0.0000 | |
| 521 | C | A | 0.0523 | |
| 522 | A | A | 0.0000 | |
| 523 | T | A | -0.5713 | |
| 524 | L | A | 0.0000 | |
| 525 | D | A | -1.8073 | |
| 526 | N | A | -1.9765 | |
| 527 | T | A | -1.4812 | |
| 528 | P | A | 0.0000 | |
| 529 | S | A | -0.5238 | |
| 530 | S | A | -0.5955 | |
| 531 | A | A | 0.0000 | |
| 532 | E | A | -0.8086 | |
| 533 | L | A | 0.0000 | |
| 534 | L | A | 0.2283 | |
| 535 | G | A | 0.0000 | |
| 536 | G | A | -0.0939 | |
| 537 | S | A | -0.4223 | |
| 538 | G | A | 0.0000 | |
| 539 | S | A | -0.3161 | |
| 540 | L | A | -0.0211 | |
| 541 | W | A | 0.1803 | |
| 542 | V | A | 0.0000 | |
| 543 | K | A | -0.7161 | |
| 544 | S | A | -1.0048 | |
| 545 | C | A | -0.5869 | |
| 546 | S | A | -0.8327 | |
| 547 | F | A | 0.0000 | |
| 548 | T | A | -1.1157 | |
| 549 | A | A | -1.2730 | |
| 550 | A | A | -0.9811 | |
| 551 | C | A | 0.0000 | |
| 552 | C | A | 0.0000 | |
| 553 | S | A | -1.0730 | |
| 554 | H | A | -1.0454 | |
| 555 | F | A | 0.0000 | |
| 556 | S | A | 0.0000 | |
| 557 | S | A | -0.8988 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | A | A | 0.0000 | |
| 561 | Q | A | -1.2283 | |
| 562 | G | A | 0.0000 | |
| 563 | S | A | -1.4038 | |
| 564 | G | A | -1.7023 | |
| 565 | E | A | -2.5702 | |
| 566 | A | A | 0.0000 | |
| 567 | E | A | 0.0000 | |
| 568 | M | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | C | A | -0.2636 | |
| 571 | A | A | 0.0000 | |
| 572 | T | A | -0.8152 | |
| 573 | L | A | 0.0000 | |
| 574 | D | A | -3.0832 | |
| 575 | N | A | -2.9650 | |
| 576 | T | A | 0.0000 | |
| 577 | P | A | -0.8977 | |
| 578 | S | A | -0.5067 | |
| 579 | S | A | -0.7025 | |
| 580 | A | A | 0.0000 | |
| 581 | E | A | -0.9995 | |
| 582 | L | A | 0.0000 | |
| 583 | L | A | 0.2432 | |
| 584 | G | A | 0.0000 | |
| 585 | G | A | -0.0584 | |
| 586 | S | A | -0.3202 | |
| 587 | G | A | 0.0000 | |
| 588 | E | A | -0.5605 | |
| 589 | L | A | 0.0000 | |
| 590 | Q | A | -0.2034 | |
| 591 | I | A | 0.0000 | |
| 592 | S | A | 0.0000 | |
| 593 | N | A | -2.0097 | |
| 594 | N | A | -2.1291 | |
| 595 | R | A | -2.8883 | |
| 596 | L | A | 0.0000 | |
| 597 | E | A | -2.6218 | |
| 598 | D | A | -2.0962 | |
| 599 | A | A | -1.4177 | |
| 600 | G | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | R | A | -2.7186 | |
| 603 | E | A | -2.1797 | |
| 604 | L | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | Q | A | -2.0552 | |
| 607 | G | A | 0.0000 | |
| 608 | L | A | 0.0000 | |
| 609 | G | A | -0.8708 | |
| 610 | G | A | -1.3198 | |
| 611 | S | A | -1.1447 | |
| 612 | G | A | -1.2590 | |
| 613 | E | A | -1.4783 | |
| 614 | A | A | 0.0000 | |
| 615 | E | A | 0.0000 | |
| 616 | M | A | 0.0000 | |
| 617 | G | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | A | A | 0.0000 | |
| 620 | T | A | -1.2756 | |
| 621 | L | A | 0.0000 | |
| 622 | D | A | -3.1458 | |
| 623 | N | A | -2.9056 | |
| 624 | T | A | 0.0000 | |
| 625 | P | A | 0.0000 | |
| 626 | S | A | -0.4517 | |
| 627 | S | A | -0.7446 | |
| 628 | A | A | 0.0000 | |
| 629 | E | A | -1.1139 | |
| 630 | L | A | 0.0000 | |
| 631 | L | A | 0.2665 | |
| 632 | G | A | 0.1984 | |
| 633 | G | A | -0.0689 | |
| 634 | S | A | -0.4034 | |
| 635 | G | A | 0.0000 | |
| 636 | V | A | -0.2745 | |
| 637 | L | A | 0.0000 | |
| 638 | W | A | -0.0386 | |
| 639 | L | A | 0.0000 | |
| 640 | A | A | 0.0000 | |
| 641 | D | A | -2.2052 | |
| 642 | C | A | 0.0000 | |
| 643 | D | A | -1.8489 | |
| 644 | V | A | 0.0000 | |
| 645 | S | A | -1.1311 | |
| 646 | D | A | -1.4337 | |
| 647 | S | A | -1.1085 | |
| 648 | S | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | S | A | -0.5312 | |
| 651 | S | A | -0.7823 | |
| 652 | L | A | -0.2889 | |
| 653 | A | A | 0.0000 | |
| 654 | A | A | 0.2648 | |
| 655 | T | A | 0.0587 | |
| 656 | L | A | 0.0000 | |
| 657 | L | A | 1.0088 | |
| 658 | A | A | 0.5153 | |
| 659 | G | A | -0.2523 | |
| 660 | S | A | -0.7667 | |
| 661 | G | A | -1.4042 | |
| 662 | E | A | -2.1063 | |
| 663 | A | A | 0.0000 | |
| 664 | E | A | 0.0000 | |
| 665 | M | A | 0.0000 | |
| 666 | G | A | 0.0000 | |
| 667 | C | A | 0.0000 | |
| 668 | A | A | 0.0000 | |
| 669 | T | A | -1.0563 | |
| 670 | L | A | 0.0000 | |
| 671 | D | A | -2.5687 | |
| 672 | N | A | -2.4895 | |
| 673 | T | A | -1.4916 | |
| 674 | P | A | 0.0000 | |
| 675 | S | A | -0.5465 | |
| 676 | S | A | -0.8943 | |
| 677 | A | A | 0.0000 | |
| 678 | E | A | -1.4432 | |
| 679 | L | A | 0.0000 | |
| 680 | L | A | 0.2896 | |
| 681 | G | A | 0.2026 | |
| 682 | G | A | -0.0029 | |
| 683 | S | A | -0.3584 | |
| 684 | G | A | 0.0000 | |
| 685 | E | A | -0.7102 | |
| 686 | L | A | -0.0134 | |
| 687 | D | A | 0.0000 | |
| 688 | L | A | 0.0000 | |
| 689 | S | A | 0.0000 | |
| 690 | N | A | -1.1904 | |
| 691 | N | A | -1.1724 | |
| 692 | C | A | -0.7062 | |
| 693 | L | A | 0.0000 | |
| 694 | G | A | -0.5307 | |
| 695 | D | A | -0.8064 | |
| 696 | A | A | -0.6115 | |
| 697 | G | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | L | A | -0.8094 | |
| 700 | Q | A | -1.3176 | |
| 701 | L | A | 0.0000 | |
| 702 | V | A | 0.0000 | |
| 703 | E | A | -2.0876 | |
| 704 | S | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | R | A | -1.6399 | |
| 707 | G | A | -1.4336 | |
| 708 | S | A | -1.2363 | |
| 709 | G | A | -0.8888 | |
| 710 | E | A | -0.6869 | |
| 711 | A | A | 0.0000 | |
| 712 | E | A | 0.0000 | |
| 713 | M | A | -0.1694 | |
| 714 | G | A | 0.0000 | |
| 715 | C | A | 0.0000 | |
| 716 | A | A | 0.0000 | |
| 717 | T | A | 0.0000 | |
| 718 | L | A | 0.0000 | |
| 719 | D | A | -2.1001 | |
| 720 | N | A | -1.9262 | |
| 721 | T | A | 0.0000 | |
| 722 | P | A | -0.8256 | |
| 723 | S | A | -0.5540 | |
| 724 | S | A | -1.1322 | |
| 725 | A | A | 0.0000 | |
| 726 | E | A | -1.5481 | |
| 727 | L | A | 0.0000 | |
| 728 | L | A | 1.0055 | |
| 729 | G | A | 0.0000 | |
| 730 | G | A | 0.1579 | |
| 731 | S | A | -0.7120 | |
| 732 | G | A | 0.0000 | |
| 733 | Q | A | -0.5873 | |
| 734 | L | A | 0.0000 | |
| 735 | V | A | 0.5696 | |
| 736 | L | A | 0.0000 | |
| 737 | Y | A | 0.3378 | |
| 738 | D | A | -1.1009 | |
| 739 | I | A | 0.2427 | |
| 740 | Y | A | 0.7440 | |
| 741 | W | A | -0.5232 | |
| 742 | S | A | -1.6698 | |
| 743 | E | A | -3.2245 | |
| 744 | E | A | -3.7444 | |
| 745 | M | A | -2.5107 | |
| 746 | E | A | -2.8836 | |
| 747 | D | A | -3.4048 | |
| 748 | R | A | -2.9423 | |
| 749 | L | A | 0.0000 | |
| 750 | Q | A | -2.9008 | |
| 751 | A | A | -2.4334 | |
| 752 | L | A | -2.0649 | |
| 753 | E | A | -2.7901 | |
| 754 | K | A | -3.2045 | |
| 755 | D | A | -2.8332 | |
| 756 | G | A | -1.7630 | |
| 757 | S | A | -1.4335 | |
| 758 | G | A | 0.0000 | |
| 759 | E | A | -1.5614 | |
| 760 | A | A | -0.7320 | |
| 761 | E | A | -1.2426 | |
| 762 | M | A | -1.1785 | |
| 763 | G | A | -0.3782 | |
| 764 | C | A | 0.0000 | |
| 765 | A | A | 0.5552 | |
| 766 | T | A | -0.1849 | |
| 767 | L | A | -0.8149 | |
| 768 | D | A | -1.9058 | |
| 769 | N | A | -2.2190 | |
| 770 | T | A | -1.4361 | |
| 771 | P | A | -0.9448 | |
| 772 | S | A | -0.9574 | |
| 773 | S | A | -0.8386 | |
| 774 | A | A | -0.9317 | |
| 775 | E | A | -1.1052 | |
| 776 | L | A | 1.2801 | |
| 777 | L | A | 1.8160 | |
| 778 | G | A | 0.9131 | |
| 779 | G | A | 0.0053 | |
| 780 | S | A | -0.8354 | |
| 781 | G | A | 0.0000 | |
| 782 | R | A | -1.9222 | |
| 783 | V | A | 0.0000 | |
| 784 | I | A | 0.8710 | |
| 785 | S | A | -0.1725 |
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, -0.6889 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_10 | -0.6889 | View | CSV | PDB |
| model_8 | -0.6931 | View | CSV | PDB |
| model_0 | -0.6931 | View | CSV | PDB |
| model_1 | -0.6954 | View | CSV | PDB |
| model_6 | -0.6967 | View | CSV | PDB |
| model_3 | -0.6976 | View | CSV | PDB |
| model_11 | -0.7018 | View | CSV | PDB |
| CABS_average | -0.7049 | View | CSV | PDB |
| model_7 | -0.7068 | View | CSV | PDB |
| model_9 | -0.7146 | View | CSV | PDB |
| model_5 | -0.7157 | View | CSV | PDB |
| model_2 | -0.7244 | View | CSV | PDB |
| input | -0.7261 | View | CSV | PDB |
| model_4 | -0.7305 | 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