Project name: C25_E11_EF_E18_EF_GSG
Status: done
Started: 2026-07-21 11:06:43
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGRVIS
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 (00:15:37)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:18:26)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:18:36)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:18:45)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:18:55)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:19:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:19:14)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:19:23)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:19:33)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:19:42)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:19:52)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:20:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:20:11)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:20:21)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:20:42)
[INFO] Main: Simulation completed successfully. (04:20:52)
|
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
- -4.1888
- Maximal score value
- 2.0786
- Average score
- -0.418
- Total score value
- -441.8667
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 | 0.1420 | |
| 2 | L | A | 0.6214 | |
| 3 | D | A | -1.0335 | |
| 4 | I | A | -0.5647 | |
| 5 | Q | A | -1.5521 | |
| 6 | S | A | -1.3220 | |
| 7 | L | A | -0.6393 | |
| 8 | D | A | -1.6782 | |
| 9 | I | A | -1.3623 | |
| 10 | Q | A | -1.8756 | |
| 11 | C | A | -0.9493 | |
| 12 | E | A | -1.7765 | |
| 13 | E | A | -2.8290 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0339 | |
| 16 | D | A | -2.6734 | |
| 17 | A | A | -1.8978 | |
| 18 | R | A | -2.6762 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5657 | |
| 21 | E | A | -2.2769 | |
| 22 | L | A | -0.9880 | |
| 23 | L | A | -0.5125 | |
| 24 | P | A | -0.5878 | |
| 25 | L | A | -0.1811 | |
| 26 | L | A | 0.0434 | |
| 27 | Q | A | -0.4917 | |
| 28 | G | A | -0.6365 | |
| 29 | S | A | -0.8823 | |
| 30 | G | A | -0.6831 | |
| 31 | P | A | -0.4060 | |
| 32 | P | A | -0.2840 | |
| 33 | L | A | 0.5571 | |
| 34 | T | A | 0.1852 | |
| 35 | H | A | -0.1115 | |
| 36 | Q | A | -0.0847 | |
| 37 | V | A | 0.5123 | |
| 38 | M | A | 0.6337 | |
| 39 | Y | A | 0.5856 | |
| 40 | I | A | 0.4801 | |
| 41 | P | A | -0.0362 | |
| 42 | P | A | -0.5307 | |
| 43 | G | A | -0.3917 | |
| 44 | G | A | 0.0662 | |
| 45 | P | A | 0.3628 | |
| 46 | I | A | 1.2431 | |
| 47 | P | A | -0.0144 | |
| 48 | K | A | -1.3927 | |
| 49 | S | A | -0.8585 | |
| 50 | T | A | -0.6365 | |
| 51 | T | A | -0.5333 | |
| 52 | D | A | -0.2847 | |
| 53 | Y | A | 0.3322 | |
| 54 | A | A | 0.5241 | |
| 55 | W | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | T | A | -0.2203 | |
| 58 | S | A | -0.4345 | |
| 59 | T | A | -0.3107 | |
| 60 | N | A | -0.1793 | |
| 61 | P | A | -0.0576 | |
| 62 | S | A | 0.0000 | |
| 63 | I | A | 0.6672 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 0.1796 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -2.1460 | |
| 68 | G | A | -1.7727 | |
| 69 | S | A | -1.3180 | |
| 70 | G | A | -1.3555 | |
| 71 | V | A | -0.8688 | |
| 72 | R | A | -1.8656 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | D | A | -2.4970 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -1.9140 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.6694 | |
| 80 | E | A | -2.2603 | |
| 81 | A | A | -1.2013 | |
| 82 | R | A | -1.6844 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.3320 | |
| 85 | D | A | -1.6853 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | S | A | -0.8607 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.6082 | |
| 91 | R | A | -1.1504 | |
| 92 | V | A | 0.6128 | |
| 93 | G | A | -0.4408 | |
| 94 | S | A | -0.6925 | |
| 95 | G | A | -0.7506 | |
| 96 | P | A | -0.3740 | |
| 97 | P | A | 0.0505 | |
| 98 | L | A | 0.6464 | |
| 99 | T | A | 0.1934 | |
| 100 | H | A | 0.0660 | |
| 101 | Q | A | -0.0070 | |
| 102 | V | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | P | A | -0.2303 | |
| 107 | P | A | -0.6151 | |
| 108 | G | A | -0.4478 | |
| 109 | G | A | -0.0945 | |
| 110 | P | A | 0.2804 | |
| 111 | I | A | 1.3178 | |
| 112 | P | A | -0.0996 | |
| 113 | K | A | -1.3893 | |
| 114 | S | A | -0.8590 | |
| 115 | T | A | -0.6317 | |
| 116 | T | A | -0.6342 | |
| 117 | D | A | -0.4314 | |
| 118 | Y | A | 0.0000 | |
| 119 | A | A | 0.2657 | |
| 120 | W | A | 0.0000 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | -0.2626 | |
| 123 | S | A | -0.3129 | |
| 124 | T | A | -0.2594 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | -0.2895 | |
| 127 | S | A | 0.0000 | |
| 128 | I | A | 0.6931 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.1369 | |
| 131 | T | A | -0.7269 | |
| 132 | E | A | -1.7192 | |
| 133 | G | A | -1.7747 | |
| 134 | S | A | -1.6253 | |
| 135 | G | A | -1.3323 | |
| 136 | E | A | -1.7401 | |
| 137 | L | A | -0.9338 | |
| 138 | N | A | -1.1888 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.1504 | |
| 141 | S | A | -1.8734 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.5895 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -0.6231 | |
| 146 | D | A | -0.0442 | |
| 147 | V | A | 0.7860 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.7514 | |
| 151 | C | A | -0.9965 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.8545 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -1.0852 | |
| 157 | Q | A | -2.0334 | |
| 158 | G | A | -1.4297 | |
| 159 | S | A | -1.2275 | |
| 160 | G | A | -0.8911 | |
| 161 | P | A | -0.3953 | |
| 162 | P | A | -0.0248 | |
| 163 | L | A | 0.8267 | |
| 164 | T | A | 0.2894 | |
| 165 | H | A | 0.0771 | |
| 166 | Q | A | -0.1279 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | P | A | -0.2098 | |
| 172 | P | A | -0.5869 | |
| 173 | G | A | -0.4760 | |
| 174 | G | A | -0.1487 | |
| 175 | P | A | 0.1411 | |
| 176 | I | A | 0.9280 | |
| 177 | P | A | -0.2792 | |
| 178 | K | A | -1.5025 | |
| 179 | S | A | -0.9016 | |
| 180 | T | A | -0.6339 | |
| 181 | T | A | -0.5913 | |
| 182 | D | A | -0.2487 | |
| 183 | Y | A | 0.2629 | |
| 184 | A | A | 0.1891 | |
| 185 | W | A | 0.0000 | |
| 186 | Q | A | 0.0000 | |
| 187 | T | A | -0.2403 | |
| 188 | S | A | -0.3015 | |
| 189 | T | A | -0.2676 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | -0.2776 | |
| 192 | S | A | 0.2021 | |
| 193 | I | A | 0.7689 | |
| 194 | F | A | 0.6303 | |
| 195 | W | A | 0.1639 | |
| 196 | T | A | -0.3515 | |
| 197 | E | A | -1.3263 | |
| 198 | G | A | -1.2807 | |
| 199 | S | A | -1.3838 | |
| 200 | G | A | -1.3846 | |
| 201 | K | A | -1.5248 | |
| 202 | L | A | -0.7196 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.1201 | |
| 206 | N | A | -1.5586 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.0400 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.5434 | |
| 211 | G | A | 0.1425 | |
| 212 | A | A | 0.3734 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.2207 | |
| 216 | V | A | 0.1434 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.3846 | |
| 219 | S | A | -0.6814 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | -0.6447 | |
| 222 | R | A | -1.7837 | |
| 223 | T | A | -1.3637 | |
| 224 | G | A | -1.4312 | |
| 225 | S | A | -1.2089 | |
| 226 | G | A | -1.1320 | |
| 227 | P | A | -0.7987 | |
| 228 | P | A | -0.0882 | |
| 229 | L | A | 0.5683 | |
| 230 | T | A | 0.0872 | |
| 231 | H | A | 0.0955 | |
| 232 | Q | A | -0.0583 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0946 | |
| 235 | Y | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | P | A | -0.1809 | |
| 238 | P | A | -0.5816 | |
| 239 | G | A | -0.4934 | |
| 240 | G | A | -0.1845 | |
| 241 | P | A | 0.0549 | |
| 242 | I | A | 0.8738 | |
| 243 | P | A | -0.3152 | |
| 244 | K | A | -1.5231 | |
| 245 | S | A | -0.9371 | |
| 246 | T | A | -0.6541 | |
| 247 | T | A | -0.7639 | |
| 248 | D | A | -0.3215 | |
| 249 | Y | A | 0.0000 | |
| 250 | A | A | 0.2028 | |
| 251 | W | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | -0.1890 | |
| 254 | S | A | -0.2285 | |
| 255 | T | A | -0.2357 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | -0.0890 | |
| 258 | S | A | 0.0000 | |
| 259 | I | A | 0.8805 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.0634 | |
| 262 | T | A | -0.5217 | |
| 263 | E | A | -1.2732 | |
| 264 | G | A | -1.2149 | |
| 265 | S | A | -1.2986 | |
| 266 | G | A | -1.1365 | |
| 267 | E | A | -1.2006 | |
| 268 | L | A | -0.4568 | |
| 269 | H | A | -0.7093 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.5752 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.4522 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0512 | |
| 277 | D | A | -0.6696 | |
| 278 | A | A | -0.3095 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -0.9022 | |
| 282 | L | A | -0.1100 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.0572 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | 0.0912 | |
| 288 | L | A | 0.3413 | |
| 289 | G | A | -0.6798 | |
| 290 | S | A | -1.0378 | |
| 291 | G | A | -0.9516 | |
| 292 | P | A | -0.5005 | |
| 293 | P | A | -0.0701 | |
| 294 | L | A | 0.7990 | |
| 295 | T | A | 0.1731 | |
| 296 | H | A | 0.0260 | |
| 297 | Q | A | -0.1460 | |
| 298 | V | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | -0.1871 | |
| 303 | P | A | -0.6138 | |
| 304 | G | A | -0.4427 | |
| 305 | G | A | -0.0859 | |
| 306 | P | A | 0.2931 | |
| 307 | I | A | 1.2991 | |
| 308 | P | A | -0.1366 | |
| 309 | K | A | -1.4043 | |
| 310 | S | A | -0.8699 | |
| 311 | T | A | -0.6589 | |
| 312 | T | A | -0.7681 | |
| 313 | D | A | -0.5258 | |
| 314 | Y | A | 0.0000 | |
| 315 | A | A | 0.5247 | |
| 316 | W | A | 0.0000 | |
| 317 | Q | A | 0.0000 | |
| 318 | T | A | -0.1859 | |
| 319 | S | A | -0.2054 | |
| 320 | T | A | -0.1981 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.0466 | |
| 323 | S | A | 0.0000 | |
| 324 | I | A | 0.7084 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | -0.0003 | |
| 327 | T | A | -0.4909 | |
| 328 | E | A | -1.5275 | |
| 329 | G | A | -1.2077 | |
| 330 | S | A | -1.1786 | |
| 331 | G | A | -1.1066 | |
| 332 | K | A | -1.2061 | |
| 333 | L | A | -0.4287 | |
| 334 | Q | A | -0.3745 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.2116 | |
| 337 | Y | A | 0.5259 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.1222 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -0.9802 | |
| 342 | A | A | -1.1282 | |
| 343 | A | A | -0.4200 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.4682 | |
| 347 | P | A | -0.8005 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -0.7091 | |
| 351 | V | A | -0.0312 | |
| 352 | L | A | -0.6068 | |
| 353 | R | A | -1.5102 | |
| 354 | A | A | -0.4932 | |
| 355 | G | A | -0.7030 | |
| 356 | S | A | -0.4418 | |
| 357 | G | A | -0.6669 | |
| 358 | P | A | -0.7802 | |
| 359 | P | A | -0.4600 | |
| 360 | L | A | 0.1807 | |
| 361 | T | A | -0.0149 | |
| 362 | H | A | -0.0039 | |
| 363 | Q | A | -0.1228 | |
| 364 | V | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | P | A | -0.1568 | |
| 369 | P | A | -0.5929 | |
| 370 | G | A | -0.4380 | |
| 371 | G | A | -0.0798 | |
| 372 | P | A | 0.3093 | |
| 373 | I | A | 1.3284 | |
| 374 | P | A | -0.0755 | |
| 375 | K | A | -1.3841 | |
| 376 | S | A | -0.8357 | |
| 377 | T | A | -0.5973 | |
| 378 | T | A | -0.6949 | |
| 379 | D | A | -0.3627 | |
| 380 | Y | A | 0.2088 | |
| 381 | A | A | 0.5461 | |
| 382 | W | A | 0.0000 | |
| 383 | Q | A | 0.0000 | |
| 384 | T | A | -0.1959 | |
| 385 | S | A | -0.2410 | |
| 386 | T | A | -0.1984 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | -0.0254 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 0.5854 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.0541 | |
| 393 | T | A | -0.4558 | |
| 394 | E | A | -1.2143 | |
| 395 | G | A | -1.1511 | |
| 396 | S | A | -1.0908 | |
| 397 | G | A | -1.0252 | |
| 398 | E | A | -1.0146 | |
| 399 | L | A | -0.2679 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | -0.7341 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.1633 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -2.0639 | |
| 408 | E | A | -2.4651 | |
| 409 | A | A | -1.2415 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.8483 | |
| 413 | V | A | -1.3435 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.4716 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.3353 | |
| 419 | K | A | -2.2436 | |
| 420 | D | A | -2.7952 | |
| 421 | G | A | -1.8656 | |
| 422 | S | A | -1.4565 | |
| 423 | G | A | -1.2993 | |
| 424 | P | A | -0.5706 | |
| 425 | P | A | -0.2644 | |
| 426 | L | A | 0.2670 | |
| 427 | T | A | 0.0104 | |
| 428 | H | A | 0.0113 | |
| 429 | Q | A | -0.1242 | |
| 430 | V | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | P | A | -0.1741 | |
| 435 | P | A | -0.5883 | |
| 436 | G | A | -0.4415 | |
| 437 | G | A | -0.0832 | |
| 438 | P | A | 0.2873 | |
| 439 | I | A | 1.3447 | |
| 440 | P | A | -0.0216 | |
| 441 | K | A | -1.3357 | |
| 442 | S | A | -0.7797 | |
| 443 | T | A | -0.5473 | |
| 444 | T | A | -0.6772 | |
| 445 | D | A | 0.0000 | |
| 446 | Y | A | 0.0000 | |
| 447 | A | A | 0.4970 | |
| 448 | W | A | 0.0000 | |
| 449 | Q | A | 0.0000 | |
| 450 | T | A | -0.1992 | |
| 451 | S | A | -0.2372 | |
| 452 | T | A | -0.2086 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | -0.0579 | |
| 455 | S | A | 0.0000 | |
| 456 | I | A | 0.5876 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.1122 | |
| 459 | T | A | -0.3829 | |
| 460 | E | A | -1.4355 | |
| 461 | G | A | -1.1361 | |
| 462 | S | A | -1.0953 | |
| 463 | G | A | -1.0303 | |
| 464 | A | A | -0.9287 | |
| 465 | L | A | -0.4042 | |
| 466 | K | A | -0.5681 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -0.6117 | |
| 469 | S | A | -1.2549 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -1.5487 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6319 | |
| 474 | S | A | -1.5132 | |
| 475 | D | A | -2.8343 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.9070 | |
| 479 | D | A | -2.2950 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.8359 | |
| 482 | G | A | -0.9989 | |
| 483 | I | A | -0.5122 | |
| 484 | V | A | -0.1667 | |
| 485 | A | A | -0.1684 | |
| 486 | S | A | -0.4496 | |
| 487 | G | A | -0.5769 | |
| 488 | S | A | -0.6079 | |
| 489 | G | A | -0.6483 | |
| 490 | P | A | -0.5934 | |
| 491 | P | A | -0.1175 | |
| 492 | L | A | 0.2163 | |
| 493 | T | A | -0.0809 | |
| 494 | H | A | 0.0597 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | 0.0000 | |
| 499 | I | A | 0.0000 | |
| 500 | P | A | -0.2163 | |
| 501 | P | A | -0.5812 | |
| 502 | G | A | -0.4596 | |
| 503 | G | A | -0.1206 | |
| 504 | P | A | 0.2261 | |
| 505 | I | A | 1.1485 | |
| 506 | P | A | -0.1570 | |
| 507 | K | A | -1.4223 | |
| 508 | S | A | -0.8477 | |
| 509 | T | A | -0.5686 | |
| 510 | T | A | -0.3820 | |
| 511 | D | A | -0.2107 | |
| 512 | Y | A | 0.3672 | |
| 513 | A | A | 0.5496 | |
| 514 | W | A | 0.0000 | |
| 515 | Q | A | 0.0000 | |
| 516 | T | A | -0.2012 | |
| 517 | S | A | -0.2467 | |
| 518 | T | A | -0.2125 | |
| 519 | N | A | 0.0000 | |
| 520 | P | A | -0.1045 | |
| 521 | S | A | 0.0000 | |
| 522 | I | A | 0.6441 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.0073 | |
| 525 | T | A | -0.5682 | |
| 526 | E | A | -1.3383 | |
| 527 | G | A | -1.3279 | |
| 528 | S | A | -1.2476 | |
| 529 | G | A | -1.1786 | |
| 530 | E | A | -1.4010 | |
| 531 | L | A | -0.3984 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.2841 | |
| 536 | N | A | 0.0000 | |
| 537 | K | A | -2.2358 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.7735 | |
| 540 | D | A | -0.4877 | |
| 541 | V | A | 0.7229 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.4360 | |
| 545 | E | A | -1.1956 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.5435 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.1027 | |
| 551 | L | A | -0.2185 | |
| 552 | G | A | -0.1202 | |
| 553 | S | A | -0.0699 | |
| 554 | G | A | 0.3183 | |
| 555 | P | A | 0.6619 | |
| 556 | V | A | 1.8321 | |
| 557 | L | A | 1.1471 | |
| 558 | T | A | 0.5472 | |
| 559 | H | A | 0.2468 | |
| 560 | Q | A | 0.0366 | |
| 561 | I | A | 0.0000 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -0.3199 | |
| 566 | P | A | -0.5862 | |
| 567 | G | A | -0.4368 | |
| 568 | G | A | -0.2867 | |
| 569 | P | A | 0.2648 | |
| 570 | I | A | 1.2982 | |
| 571 | P | A | 0.2272 | |
| 572 | A | A | -0.2596 | |
| 573 | K | A | -0.9428 | |
| 574 | V | A | 0.3967 | |
| 575 | D | A | -0.8056 | |
| 576 | S | A | -0.4259 | |
| 577 | Y | A | 0.0000 | |
| 578 | E | A | -0.7742 | |
| 579 | W | A | 0.0000 | |
| 580 | Q | A | 0.0000 | |
| 581 | T | A | -0.3489 | |
| 582 | S | A | -0.2683 | |
| 583 | T | A | -0.2191 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | -0.1449 | |
| 586 | S | A | 0.0000 | |
| 587 | V | A | 0.6031 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | -0.0044 | |
| 590 | T | A | 0.0000 | |
| 591 | E | A | -2.1064 | |
| 592 | G | A | -1.6516 | |
| 593 | S | A | -1.3965 | |
| 594 | G | A | -1.1505 | |
| 595 | T | A | -0.7548 | |
| 596 | L | A | -0.0987 | |
| 597 | W | A | 0.0430 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | -0.6956 | |
| 600 | E | A | -2.4835 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | -1.9651 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.6269 | |
| 605 | A | A | -1.8554 | |
| 606 | K | A | -1.9929 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.8031 | |
| 610 | D | A | -1.9083 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | 0.0000 | |
| 613 | R | A | -2.5896 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.2450 | |
| 616 | R | A | -2.3330 | |
| 617 | A | A | -1.0268 | |
| 618 | G | A | -0.3443 | |
| 619 | S | A | -0.3690 | |
| 620 | G | A | -0.2868 | |
| 621 | P | A | 0.5154 | |
| 622 | V | A | 1.8037 | |
| 623 | L | A | 1.2046 | |
| 624 | T | A | 0.7467 | |
| 625 | H | A | 0.0000 | |
| 626 | Q | A | 0.1402 | |
| 627 | I | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 0.0000 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -0.3961 | |
| 632 | P | A | -0.7445 | |
| 633 | G | A | -0.6513 | |
| 634 | G | A | -0.5851 | |
| 635 | P | A | -0.2256 | |
| 636 | I | A | 0.3634 | |
| 637 | P | A | -0.3393 | |
| 638 | A | A | -0.5136 | |
| 639 | K | A | -1.1604 | |
| 640 | V | A | 0.2141 | |
| 641 | D | A | -0.8541 | |
| 642 | S | A | 0.0000 | |
| 643 | Y | A | -0.1564 | |
| 644 | E | A | -0.7362 | |
| 645 | W | A | 0.0000 | |
| 646 | Q | A | 0.0000 | |
| 647 | T | A | -0.3884 | |
| 648 | S | A | -0.3324 | |
| 649 | T | A | -0.2552 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | -0.2730 | |
| 652 | S | A | 0.0000 | |
| 653 | V | A | 0.5877 | |
| 654 | F | A | 0.0000 | |
| 655 | W | A | -0.0093 | |
| 656 | T | A | -0.4905 | |
| 657 | E | A | -1.4689 | |
| 658 | G | A | -1.6027 | |
| 659 | S | A | -1.2716 | |
| 660 | G | A | -1.0330 | |
| 661 | E | A | -0.7365 | |
| 662 | L | A | 0.0931 | |
| 663 | S | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | -0.8766 | |
| 666 | G | A | -1.6360 | |
| 667 | N | A | 0.0000 | |
| 668 | E | A | -2.3888 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.4408 | |
| 671 | D | A | -1.5658 | |
| 672 | E | A | -1.8654 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -1.5837 | |
| 676 | L | A | -1.4888 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.6705 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.2152 | |
| 682 | L | A | -0.0619 | |
| 683 | G | A | -0.5430 | |
| 684 | S | A | -0.3898 | |
| 685 | G | A | 0.0587 | |
| 686 | P | A | 0.9301 | |
| 687 | V | A | 1.9519 | |
| 688 | L | A | 1.2009 | |
| 689 | T | A | 0.4614 | |
| 690 | H | A | 0.2513 | |
| 691 | Q | A | -0.0375 | |
| 692 | I | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.0000 | |
| 695 | V | A | 0.0000 | |
| 696 | P | A | -0.2965 | |
| 697 | P | A | -0.5218 | |
| 698 | G | A | -0.4307 | |
| 699 | G | A | -0.3354 | |
| 700 | P | A | 0.0527 | |
| 701 | I | A | 0.9902 | |
| 702 | P | A | -0.1624 | |
| 703 | A | A | -0.4353 | |
| 704 | K | A | -1.2801 | |
| 705 | V | A | -0.4559 | |
| 706 | D | A | -1.4108 | |
| 707 | S | A | -0.8675 | |
| 708 | Y | A | -0.4325 | |
| 709 | E | A | -1.3135 | |
| 710 | W | A | 0.0000 | |
| 711 | Q | A | 0.0000 | |
| 712 | T | A | -0.4769 | |
| 713 | S | A | -0.3465 | |
| 714 | T | A | -0.2840 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | -0.2565 | |
| 717 | S | A | 0.0000 | |
| 718 | V | A | 0.7872 | |
| 719 | F | A | 0.0000 | |
| 720 | W | A | 0.1488 | |
| 721 | T | A | -0.6751 | |
| 722 | E | A | -1.8009 | |
| 723 | G | A | -1.4192 | |
| 724 | S | A | -1.2268 | |
| 725 | G | A | -0.9761 | |
| 726 | S | A | -0.4667 | |
| 727 | L | A | -0.0665 | |
| 728 | W | A | 0.1845 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -0.8041 | |
| 731 | S | A | -1.6851 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.5449 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -1.0928 | |
| 736 | A | A | -1.1767 | |
| 737 | A | A | -0.6079 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.8607 | |
| 741 | H | A | -0.8420 | |
| 742 | F | A | 0.0000 | |
| 743 | S | A | -1.0533 | |
| 744 | S | A | -0.8354 | |
| 745 | V | A | 0.0000 | |
| 746 | L | A | -0.5612 | |
| 747 | A | A | -0.8743 | |
| 748 | Q | A | -0.9590 | |
| 749 | G | A | -0.4348 | |
| 750 | S | A | -0.4952 | |
| 751 | G | A | -0.6643 | |
| 752 | P | A | 0.3702 | |
| 753 | V | A | 1.5827 | |
| 754 | L | A | 1.2362 | |
| 755 | T | A | 0.4281 | |
| 756 | H | A | 0.0000 | |
| 757 | Q | A | 0.1272 | |
| 758 | I | A | 0.0000 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.0000 | |
| 761 | V | A | 0.0000 | |
| 762 | P | A | -0.4261 | |
| 763 | P | A | -0.7873 | |
| 764 | G | A | -0.4853 | |
| 765 | G | A | -0.5399 | |
| 766 | P | A | -0.1103 | |
| 767 | I | A | 0.6449 | |
| 768 | P | A | -0.2037 | |
| 769 | A | A | -0.3886 | |
| 770 | K | A | -1.3110 | |
| 771 | V | A | -0.0765 | |
| 772 | D | A | -1.3540 | |
| 773 | S | A | -0.7707 | |
| 774 | Y | A | -0.1656 | |
| 775 | E | A | -0.6969 | |
| 776 | W | A | 0.0000 | |
| 777 | Q | A | 0.0000 | |
| 778 | T | A | -0.3732 | |
| 779 | S | A | -0.3225 | |
| 780 | T | A | -0.2714 | |
| 781 | N | A | 0.0000 | |
| 782 | P | A | -0.2463 | |
| 783 | S | A | 0.0000 | |
| 784 | V | A | 0.7548 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 0.0051 | |
| 787 | T | A | -0.4114 | |
| 788 | E | A | -1.4956 | |
| 789 | G | A | -1.4933 | |
| 790 | S | A | -1.1459 | |
| 791 | G | A | -0.8122 | |
| 792 | E | A | -0.4099 | |
| 793 | L | A | 0.0000 | |
| 794 | Q | A | 0.0000 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | 0.0000 | |
| 797 | N | A | -2.4511 | |
| 798 | N | A | 0.0000 | |
| 799 | R | A | -2.9644 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -2.6241 | |
| 802 | D | A | -2.0684 | |
| 803 | A | A | -1.3062 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.6459 | |
| 807 | E | A | -2.1144 | |
| 808 | L | A | 0.0000 | |
| 809 | C | A | 0.0000 | |
| 810 | Q | A | -2.1227 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -0.9826 | |
| 813 | G | A | -0.9899 | |
| 814 | G | A | -1.0093 | |
| 815 | S | A | -0.5287 | |
| 816 | G | A | 0.2105 | |
| 817 | P | A | 1.0670 | |
| 818 | V | A | 1.9404 | |
| 819 | L | A | 1.1712 | |
| 820 | T | A | 0.3659 | |
| 821 | H | A | 0.1312 | |
| 822 | Q | A | -0.0365 | |
| 823 | I | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.0000 | |
| 826 | V | A | 0.0000 | |
| 827 | P | A | -0.2951 | |
| 828 | P | A | -0.3964 | |
| 829 | G | A | -0.4410 | |
| 830 | G | A | -0.3531 | |
| 831 | P | A | 0.0004 | |
| 832 | I | A | 1.0435 | |
| 833 | P | A | -0.0780 | |
| 834 | A | A | -0.3862 | |
| 835 | K | A | -1.1287 | |
| 836 | V | A | -0.1601 | |
| 837 | D | A | -1.4944 | |
| 838 | S | A | -0.8902 | |
| 839 | Y | A | -0.5922 | |
| 840 | E | A | -1.3818 | |
| 841 | W | A | 0.0000 | |
| 842 | Q | A | 0.0000 | |
| 843 | T | A | -0.4386 | |
| 844 | S | A | -0.3167 | |
| 845 | T | A | -0.2612 | |
| 846 | N | A | 0.0000 | |
| 847 | P | A | -0.3033 | |
| 848 | S | A | 0.0000 | |
| 849 | V | A | 0.5680 | |
| 850 | F | A | 0.0000 | |
| 851 | W | A | 0.0377 | |
| 852 | T | A | 0.0000 | |
| 853 | E | A | -1.9536 | |
| 854 | G | A | -1.4290 | |
| 855 | S | A | -1.0200 | |
| 856 | G | A | -0.5735 | |
| 857 | V | A | -0.0625 | |
| 858 | L | A | 0.2262 | |
| 859 | W | A | 0.1483 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | -1.1284 | |
| 862 | D | A | -2.3470 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -2.2714 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -0.7448 | |
| 867 | D | A | -1.0296 | |
| 868 | S | A | -1.0458 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.7024 | |
| 872 | S | A | -0.9048 | |
| 873 | L | A | 0.0000 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.4230 | |
| 876 | T | A | -0.0114 | |
| 877 | L | A | 0.8149 | |
| 878 | L | A | 1.1713 | |
| 879 | A | A | 1.0251 | |
| 880 | G | A | 0.8809 | |
| 881 | S | A | -0.0258 | |
| 882 | G | A | -0.2152 | |
| 883 | P | A | 0.7234 | |
| 884 | V | A | 2.0786 | |
| 885 | L | A | 1.2402 | |
| 886 | T | A | 0.4981 | |
| 887 | H | A | 0.2958 | |
| 888 | Q | A | 0.0813 | |
| 889 | I | A | 0.0000 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 0.0000 | |
| 892 | V | A | 0.0000 | |
| 893 | P | A | -0.4253 | |
| 894 | P | A | -0.8062 | |
| 895 | G | A | -0.4979 | |
| 896 | G | A | -0.4486 | |
| 897 | P | A | -0.0431 | |
| 898 | I | A | 0.6312 | |
| 899 | P | A | -0.1339 | |
| 900 | A | A | -0.3527 | |
| 901 | K | A | -0.9339 | |
| 902 | V | A | 0.2197 | |
| 903 | D | A | -0.9663 | |
| 904 | S | A | 0.0000 | |
| 905 | Y | A | -0.4297 | |
| 906 | E | A | -1.3387 | |
| 907 | W | A | 0.0000 | |
| 908 | Q | A | 0.0000 | |
| 909 | T | A | -0.4501 | |
| 910 | S | A | -0.3587 | |
| 911 | T | A | -0.2834 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | -0.2491 | |
| 914 | S | A | 0.0000 | |
| 915 | V | A | 0.6465 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | -0.0010 | |
| 918 | T | A | -0.4982 | |
| 919 | E | A | -1.6231 | |
| 920 | G | A | -1.5951 | |
| 921 | S | A | -1.3541 | |
| 922 | G | A | -0.8654 | |
| 923 | E | A | -0.5620 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | 0.0000 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | 0.0000 | |
| 928 | N | A | -1.6773 | |
| 929 | N | A | 0.0000 | |
| 930 | C | A | -0.0083 | |
| 931 | L | A | 0.0000 | |
| 932 | G | A | -0.2177 | |
| 933 | D | A | -1.0784 | |
| 934 | A | A | -0.5927 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.7774 | |
| 938 | Q | A | -1.3539 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.3682 | |
| 942 | S | A | 0.0000 | |
| 943 | V | A | -1.1739 | |
| 944 | R | A | -2.8631 | |
| 945 | G | A | -1.5491 | |
| 946 | S | A | -0.4341 | |
| 947 | G | A | -0.7923 | |
| 948 | P | A | 0.2331 | |
| 949 | V | A | 1.7546 | |
| 950 | L | A | 1.1189 | |
| 951 | T | A | 0.6581 | |
| 952 | H | A | 0.4617 | |
| 953 | Q | A | 0.2148 | |
| 954 | I | A | 0.0000 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.0000 | |
| 957 | V | A | 0.0000 | |
| 958 | P | A | -0.3681 | |
| 959 | P | A | -0.6019 | |
| 960 | G | A | -0.4509 | |
| 961 | G | A | -0.3410 | |
| 962 | P | A | 0.1447 | |
| 963 | I | A | 1.0417 | |
| 964 | P | A | 0.1791 | |
| 965 | A | A | -0.3393 | |
| 966 | K | A | -1.0473 | |
| 967 | V | A | 0.1783 | |
| 968 | D | A | -1.4490 | |
| 969 | S | A | -0.9542 | |
| 970 | Y | A | -0.7237 | |
| 971 | E | A | -1.3971 | |
| 972 | W | A | 0.0000 | |
| 973 | Q | A | 0.0000 | |
| 974 | T | A | -0.4940 | |
| 975 | S | A | -0.3908 | |
| 976 | T | A | -0.3222 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | -0.2228 | |
| 979 | S | A | 0.0000 | |
| 980 | V | A | 0.8778 | |
| 981 | F | A | 0.5587 | |
| 982 | W | A | 0.0426 | |
| 983 | T | A | -0.7295 | |
| 984 | E | A | -2.5875 | |
| 985 | G | A | -2.1935 | |
| 986 | S | A | -1.8430 | |
| 987 | G | A | -1.6146 | |
| 988 | Q | A | -1.1755 | |
| 989 | L | A | 0.0000 | |
| 990 | V | A | 0.2873 | |
| 991 | L | A | 0.0000 | |
| 992 | Y | A | 0.4923 | |
| 993 | D | A | -1.1724 | |
| 994 | I | A | 0.0000 | |
| 995 | Y | A | 0.6990 | |
| 996 | W | A | -0.4901 | |
| 997 | S | A | -1.9008 | |
| 998 | E | A | -3.3811 | |
| 999 | E | A | -3.8902 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -3.2812 | |
| 1002 | D | A | -4.1888 | |
| 1003 | R | A | -3.5874 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.2874 | |
| 1006 | A | A | -2.9595 | |
| 1007 | L | A | 0.0000 | |
| 1008 | E | A | -3.9836 | |
| 1009 | K | A | -4.0335 | |
| 1010 | D | A | -3.8015 | |
| 1011 | G | A | -3.5097 | |
| 1012 | S | A | -2.3483 | |
| 1013 | G | A | -1.2641 | |
| 1014 | P | A | 0.3063 | |
| 1015 | V | A | 1.5426 | |
| 1016 | L | A | 1.2727 | |
| 1017 | T | A | 0.7585 | |
| 1018 | H | A | 0.0000 | |
| 1019 | Q | A | 0.7808 | |
| 1020 | I | A | 0.9424 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.0000 | |
| 1023 | V | A | 0.0000 | |
| 1024 | P | A | -0.2023 | |
| 1025 | P | A | -0.5956 | |
| 1026 | G | A | -0.4306 | |
| 1027 | G | A | -0.3292 | |
| 1028 | P | A | 0.2619 | |
| 1029 | I | A | 1.1449 | |
| 1030 | P | A | 0.2455 | |
| 1031 | A | A | -0.3008 | |
| 1032 | K | A | -1.0557 | |
| 1033 | V | A | 0.1314 | |
| 1034 | D | A | -1.5592 | |
| 1035 | S | A | 0.0000 | |
| 1036 | Y | A | -0.2799 | |
| 1037 | E | A | -1.2070 | |
| 1038 | W | A | 0.0000 | |
| 1039 | Q | A | -0.5706 | |
| 1040 | T | A | -0.4479 | |
| 1041 | S | A | -0.3560 | |
| 1042 | T | A | -0.3159 | |
| 1043 | N | A | 0.0000 | |
| 1044 | P | A | 0.0903 | |
| 1045 | S | A | 0.0000 | |
| 1046 | V | A | 2.0215 | |
| 1047 | F | A | 1.4073 | |
| 1048 | W | A | 0.7199 | |
| 1049 | T | A | -0.3385 | |
| 1050 | E | A | -1.9471 | |
| 1051 | G | A | -1.6464 | |
| 1052 | S | A | -1.4291 | |
| 1053 | G | A | -2.1240 | |
| 1054 | R | A | -2.6513 | |
| 1055 | V | A | -1.3482 | |
| 1056 | I | A | 0.4344 | |
| 1057 | S | A | -0.0898 |
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, -0.418 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 | -0.418 | View | CSV | PDB |
| model_11 | -0.4422 | View | CSV | PDB |
| model_6 | -0.4635 | View | CSV | PDB |
| model_3 | -0.4796 | View | CSV | PDB |
| model_10 | -0.4852 | View | CSV | PDB |
| model_0 | -0.4854 | View | CSV | PDB |
| model_9 | -0.4891 | View | CSV | PDB |
| CABS_average | -0.4934 | View | CSV | PDB |
| model_7 | -0.4936 | View | CSV | PDB |
| model_1 | -0.4946 | View | CSV | PDB |
| model_5 | -0.4972 | View | CSV | PDB |
| model_8 | -0.5203 | View | CSV | PDB |
| model_2 | -0.5331 | View | CSV | PDB |
| model_4 | -0.5367 | 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