Project name: C28_E18_EF_E30_EF_GSG
Status: done
Started: 2026-07-21 11:07:18
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGRVIS
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 (00:16:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:00:50)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:01:00)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:01:10)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:01:20)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:01:30)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:01:40)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:01:50)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:02:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:02:10)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:02:20)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:02:29)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:02:39)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:02:49)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:03:11)
[INFO] Main: Simulation completed successfully. (04:03:22)
|
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
- -4.0497
- Maximal score value
- 2.7018
- Average score
- -0.2876
- Total score value
- -304.0436
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 | 0.2039 | |
| 2 | L | A | 0.7664 | |
| 3 | D | A | -0.6298 | |
| 4 | I | A | 0.1682 | |
| 5 | Q | A | -1.3869 | |
| 6 | S | A | -1.0321 | |
| 7 | L | A | -0.4074 | |
| 8 | D | A | -1.5353 | |
| 9 | I | A | -1.5074 | |
| 10 | Q | A | -2.1456 | |
| 11 | C | A | -1.1651 | |
| 12 | E | A | -2.0341 | |
| 13 | E | A | -2.8865 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0735 | |
| 16 | D | A | -2.5119 | |
| 17 | A | A | -1.6131 | |
| 18 | R | A | -2.0687 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4067 | |
| 21 | E | A | -2.1086 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5340 | |
| 24 | P | A | -0.5242 | |
| 25 | L | A | 0.0753 | |
| 26 | L | A | 0.0329 | |
| 27 | Q | A | -0.5552 | |
| 28 | G | A | -0.5575 | |
| 29 | S | A | -0.3810 | |
| 30 | G | A | -0.2615 | |
| 31 | P | A | 0.9096 | |
| 32 | V | A | 1.5300 | |
| 33 | L | A | 1.5896 | |
| 34 | T | A | 1.0244 | |
| 35 | H | A | 0.5141 | |
| 36 | Q | A | 1.3300 | |
| 37 | I | A | 2.6233 | |
| 38 | M | A | 2.1731 | |
| 39 | Y | A | 2.2564 | |
| 40 | V | A | 1.2141 | |
| 41 | P | A | 0.3592 | |
| 42 | P | A | -0.3234 | |
| 43 | G | A | -0.3255 | |
| 44 | G | A | 0.2851 | |
| 45 | P | A | 0.8730 | |
| 46 | I | A | 2.0496 | |
| 47 | P | A | 0.8039 | |
| 48 | A | A | -0.0082 | |
| 49 | K | A | -0.9812 | |
| 50 | V | A | 0.2908 | |
| 51 | D | A | -1.1600 | |
| 52 | S | A | -0.0987 | |
| 53 | Y | A | 1.1611 | |
| 54 | E | A | 0.7492 | |
| 55 | W | A | 1.0616 | |
| 56 | Q | A | 0.5092 | |
| 57 | T | A | 0.0000 | |
| 58 | S | A | 0.0333 | |
| 59 | T | A | 0.0528 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 0.9931 | |
| 62 | S | A | 1.7560 | |
| 63 | V | A | 2.5798 | |
| 64 | F | A | 1.7204 | |
| 65 | W | A | 1.4468 | |
| 66 | T | A | 0.1568 | |
| 67 | E | A | -1.7866 | |
| 68 | G | A | -1.7703 | |
| 69 | S | A | -1.1359 | |
| 70 | G | A | -1.1971 | |
| 71 | V | A | -0.7148 | |
| 72 | R | A | -1.7032 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -2.0371 | |
| 75 | D | A | -2.5340 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -1.9714 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.4219 | |
| 80 | E | A | -1.7112 | |
| 81 | A | A | -0.9205 | |
| 82 | R | A | -1.4911 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.1886 | |
| 85 | D | A | -1.7601 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | -1.2990 | |
| 88 | S | A | -1.0680 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.7707 | |
| 91 | R | A | -1.5512 | |
| 92 | V | A | 0.2061 | |
| 93 | G | A | -0.3261 | |
| 94 | S | A | -0.2456 | |
| 95 | G | A | 0.1890 | |
| 96 | P | A | 1.4913 | |
| 97 | V | A | 2.1206 | |
| 98 | L | A | 2.3876 | |
| 99 | T | A | 1.0757 | |
| 100 | H | A | 0.3154 | |
| 101 | Q | A | 0.3585 | |
| 102 | I | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.7918 | |
| 105 | V | A | 0.0000 | |
| 106 | P | A | -0.0690 | |
| 107 | P | A | -0.4673 | |
| 108 | G | A | -0.5326 | |
| 109 | G | A | -0.1365 | |
| 110 | P | A | 0.2653 | |
| 111 | I | A | 0.9390 | |
| 112 | P | A | 0.3309 | |
| 113 | A | A | -0.1313 | |
| 114 | K | A | -1.1340 | |
| 115 | V | A | 0.2576 | |
| 116 | D | A | -1.2009 | |
| 117 | S | A | -0.2961 | |
| 118 | Y | A | 0.7200 | |
| 119 | E | A | 0.4133 | |
| 120 | W | A | 0.3567 | |
| 121 | Q | A | 0.3676 | |
| 122 | T | A | 0.0000 | |
| 123 | S | A | -0.0967 | |
| 124 | T | A | -0.0078 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.3520 | |
| 127 | S | A | 0.4991 | |
| 128 | V | A | 1.3696 | |
| 129 | F | A | 1.4736 | |
| 130 | W | A | 1.2968 | |
| 131 | T | A | -0.0703 | |
| 132 | E | A | -1.9915 | |
| 133 | G | A | -1.8414 | |
| 134 | S | A | -1.8996 | |
| 135 | G | A | -1.4164 | |
| 136 | E | A | -1.5775 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.9691 | |
| 141 | S | A | -1.7773 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.4339 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -0.4578 | |
| 146 | D | A | 0.0713 | |
| 147 | V | A | 0.9779 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.3259 | |
| 151 | C | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.2797 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -0.6732 | |
| 157 | Q | A | -1.2883 | |
| 158 | G | A | -1.1431 | |
| 159 | S | A | -0.8177 | |
| 160 | G | A | -0.4789 | |
| 161 | P | A | 1.1218 | |
| 162 | V | A | 2.5605 | |
| 163 | L | A | 2.4770 | |
| 164 | T | A | 1.3716 | |
| 165 | H | A | 1.0393 | |
| 166 | Q | A | 0.5268 | |
| 167 | I | A | 0.8789 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.6936 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.1853 | |
| 172 | P | A | -0.4939 | |
| 173 | G | A | -0.5904 | |
| 174 | G | A | -0.2742 | |
| 175 | P | A | 0.0536 | |
| 176 | I | A | 0.5952 | |
| 177 | P | A | 0.0000 | |
| 178 | A | A | -0.1815 | |
| 179 | K | A | -1.0317 | |
| 180 | V | A | 0.2610 | |
| 181 | D | A | -1.2013 | |
| 182 | S | A | -0.3337 | |
| 183 | Y | A | 0.6826 | |
| 184 | E | A | 0.3044 | |
| 185 | W | A | 0.2921 | |
| 186 | Q | A | 0.3129 | |
| 187 | T | A | 0.0000 | |
| 188 | S | A | -0.1853 | |
| 189 | T | A | -0.1289 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | 0.4232 | |
| 192 | S | A | 0.0000 | |
| 193 | V | A | 1.8530 | |
| 194 | F | A | 1.5039 | |
| 195 | W | A | 1.3787 | |
| 196 | T | A | 0.0709 | |
| 197 | E | A | -1.7069 | |
| 198 | G | A | -1.5671 | |
| 199 | S | A | -1.7187 | |
| 200 | G | A | -1.5803 | |
| 201 | K | A | -1.8087 | |
| 202 | L | A | -0.8442 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.0941 | |
| 206 | N | A | -1.4650 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.0368 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.5563 | |
| 211 | G | A | 0.1763 | |
| 212 | A | A | 0.3895 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.1485 | |
| 216 | V | A | 0.1580 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.6125 | |
| 219 | S | A | -0.8364 | |
| 220 | T | A | -0.9266 | |
| 221 | L | A | -1.0065 | |
| 222 | R | A | -2.2100 | |
| 223 | T | A | -1.4324 | |
| 224 | G | A | -1.0781 | |
| 225 | S | A | -0.6385 | |
| 226 | G | A | -0.1659 | |
| 227 | P | A | 1.2670 | |
| 228 | V | A | 2.5445 | |
| 229 | L | A | 2.5336 | |
| 230 | T | A | 0.9626 | |
| 231 | H | A | 0.2809 | |
| 232 | Q | A | 0.0242 | |
| 233 | I | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.2930 | |
| 236 | V | A | 0.0000 | |
| 237 | P | A | -0.2742 | |
| 238 | P | A | -0.5395 | |
| 239 | G | A | -0.5884 | |
| 240 | G | A | -0.2947 | |
| 241 | P | A | 0.1011 | |
| 242 | I | A | 0.6055 | |
| 243 | P | A | 0.0000 | |
| 244 | A | A | -0.1688 | |
| 245 | K | A | -1.0264 | |
| 246 | V | A | 0.2649 | |
| 247 | D | A | -1.1976 | |
| 248 | S | A | -0.3298 | |
| 249 | Y | A | 0.6836 | |
| 250 | E | A | 0.2899 | |
| 251 | W | A | 0.2365 | |
| 252 | Q | A | 0.2612 | |
| 253 | T | A | 0.0000 | |
| 254 | S | A | -0.2061 | |
| 255 | T | A | -0.2257 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.1083 | |
| 258 | S | A | 0.0000 | |
| 259 | V | A | 0.6577 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 1.0378 | |
| 262 | T | A | -0.1508 | |
| 263 | E | A | -2.0492 | |
| 264 | G | A | -1.4798 | |
| 265 | S | A | -1.6209 | |
| 266 | G | A | -1.3791 | |
| 267 | E | A | -1.4597 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | -0.9007 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.5767 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.4602 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0491 | |
| 277 | D | A | -0.5484 | |
| 278 | A | A | -0.2831 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -0.9333 | |
| 282 | L | A | -0.0890 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.6038 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.3460 | |
| 288 | L | A | -0.2091 | |
| 289 | G | A | -0.8846 | |
| 290 | S | A | -0.8002 | |
| 291 | G | A | -0.1139 | |
| 292 | P | A | 1.1851 | |
| 293 | V | A | 2.4748 | |
| 294 | L | A | 2.5175 | |
| 295 | T | A | 1.1276 | |
| 296 | H | A | 0.3960 | |
| 297 | Q | A | 0.0012 | |
| 298 | I | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.3470 | |
| 301 | V | A | 0.0000 | |
| 302 | P | A | -0.2768 | |
| 303 | P | A | -0.5424 | |
| 304 | G | A | -0.6097 | |
| 305 | G | A | -0.3126 | |
| 306 | P | A | 0.0092 | |
| 307 | I | A | 0.5170 | |
| 308 | P | A | 0.0000 | |
| 309 | A | A | -0.1858 | |
| 310 | K | A | -1.0341 | |
| 311 | V | A | 0.2694 | |
| 312 | D | A | -1.1882 | |
| 313 | S | A | -0.3751 | |
| 314 | Y | A | 0.5802 | |
| 315 | E | A | 0.0858 | |
| 316 | W | A | 0.0184 | |
| 317 | Q | A | -0.0568 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | -0.0147 | |
| 320 | T | A | -0.1377 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.2162 | |
| 323 | S | A | 0.3793 | |
| 324 | V | A | 0.8550 | |
| 325 | F | A | 1.0592 | |
| 326 | W | A | 1.0203 | |
| 327 | T | A | 0.3634 | |
| 328 | E | A | -1.4641 | |
| 329 | G | A | -1.4336 | |
| 330 | S | A | -1.3865 | |
| 331 | G | A | -1.3667 | |
| 332 | K | A | -1.6563 | |
| 333 | L | A | -0.7743 | |
| 334 | Q | A | -0.6597 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.2483 | |
| 337 | Y | A | 0.5372 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.1220 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.0245 | |
| 342 | A | A | -1.1695 | |
| 343 | A | A | -0.4466 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.5159 | |
| 347 | P | A | -0.9288 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -0.8143 | |
| 351 | V | A | -0.2184 | |
| 352 | L | A | -0.6917 | |
| 353 | R | A | -1.3990 | |
| 354 | A | A | -0.5778 | |
| 355 | G | A | -0.2182 | |
| 356 | S | A | -0.7342 | |
| 357 | G | A | -0.2402 | |
| 358 | P | A | 1.1698 | |
| 359 | V | A | 2.7018 | |
| 360 | L | A | 2.4278 | |
| 361 | T | A | 1.4904 | |
| 362 | H | A | 0.7072 | |
| 363 | Q | A | 0.3159 | |
| 364 | I | A | 0.6774 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.7285 | |
| 367 | V | A | 0.0000 | |
| 368 | P | A | -0.0842 | |
| 369 | P | A | -0.4701 | |
| 370 | G | A | -0.5654 | |
| 371 | G | A | -0.2245 | |
| 372 | P | A | 0.0873 | |
| 373 | I | A | 0.5971 | |
| 374 | P | A | 0.1232 | |
| 375 | A | A | -0.1744 | |
| 376 | K | A | -1.0105 | |
| 377 | V | A | 0.2469 | |
| 378 | D | A | -1.2148 | |
| 379 | S | A | -0.3926 | |
| 380 | Y | A | 0.6392 | |
| 381 | E | A | 0.1925 | |
| 382 | W | A | 0.0278 | |
| 383 | Q | A | -0.1346 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | T | A | -0.1184 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | 0.4470 | |
| 389 | S | A | 0.6660 | |
| 390 | V | A | 1.4491 | |
| 391 | F | A | 1.4130 | |
| 392 | W | A | 1.7901 | |
| 393 | T | A | 0.9995 | |
| 394 | E | A | -0.6185 | |
| 395 | G | A | -1.1102 | |
| 396 | S | A | -1.3352 | |
| 397 | G | A | -1.2715 | |
| 398 | E | A | -1.5566 | |
| 399 | L | A | -0.6051 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | -0.5861 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.1779 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -2.1715 | |
| 408 | E | A | -2.4382 | |
| 409 | A | A | -1.2335 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.8790 | |
| 413 | V | A | -1.3755 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.5175 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.4931 | |
| 419 | K | A | -2.3059 | |
| 420 | D | A | -2.7539 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -1.2792 | |
| 423 | G | A | -0.6342 | |
| 424 | P | A | 0.5310 | |
| 425 | V | A | 1.8798 | |
| 426 | L | A | 2.3568 | |
| 427 | T | A | 1.1952 | |
| 428 | H | A | 0.4992 | |
| 429 | Q | A | -0.1606 | |
| 430 | I | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.4774 | |
| 433 | V | A | 0.0000 | |
| 434 | P | A | -0.1513 | |
| 435 | P | A | -0.4213 | |
| 436 | G | A | -0.5752 | |
| 437 | G | A | -0.2440 | |
| 438 | P | A | 0.1014 | |
| 439 | I | A | 0.4679 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.2055 | |
| 442 | K | A | -0.9698 | |
| 443 | V | A | 0.4018 | |
| 444 | D | A | -1.0430 | |
| 445 | S | A | -0.3334 | |
| 446 | Y | A | 0.8430 | |
| 447 | E | A | 0.3225 | |
| 448 | W | A | 0.1231 | |
| 449 | Q | A | 0.1916 | |
| 450 | T | A | 0.0000 | |
| 451 | S | A | -0.0732 | |
| 452 | T | A | -0.0687 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | 0.2617 | |
| 455 | S | A | 0.2558 | |
| 456 | V | A | 0.7809 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 1.2818 | |
| 459 | T | A | 0.7745 | |
| 460 | E | A | -0.7382 | |
| 461 | G | A | -1.1222 | |
| 462 | S | A | -1.5291 | |
| 463 | G | A | -1.3464 | |
| 464 | A | A | -1.4326 | |
| 465 | L | A | -0.7622 | |
| 466 | K | A | -0.9063 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | 0.0000 | |
| 469 | S | A | -1.0483 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -1.6159 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6635 | |
| 474 | S | A | -1.4533 | |
| 475 | D | A | -2.7582 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.8126 | |
| 479 | D | A | -2.2291 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.7854 | |
| 482 | G | A | -1.0039 | |
| 483 | I | A | -0.8160 | |
| 484 | V | A | -0.2457 | |
| 485 | A | A | -0.1492 | |
| 486 | S | A | -0.5874 | |
| 487 | G | A | -0.6355 | |
| 488 | S | A | -0.4666 | |
| 489 | G | A | -0.0724 | |
| 490 | P | A | 0.3930 | |
| 491 | V | A | 1.0764 | |
| 492 | L | A | 1.9479 | |
| 493 | T | A | 0.7640 | |
| 494 | H | A | -0.1837 | |
| 495 | Q | A | -0.3585 | |
| 496 | I | A | 0.0000 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | 0.4310 | |
| 499 | V | A | 0.0000 | |
| 500 | P | A | -0.2291 | |
| 501 | P | A | -0.5328 | |
| 502 | G | A | -0.6047 | |
| 503 | G | A | -0.2936 | |
| 504 | P | A | -0.0131 | |
| 505 | I | A | 0.4804 | |
| 506 | P | A | 0.0000 | |
| 507 | A | A | -0.1913 | |
| 508 | K | A | -1.0449 | |
| 509 | V | A | 0.1623 | |
| 510 | D | A | -1.1845 | |
| 511 | S | A | -0.6539 | |
| 512 | Y | A | 0.0770 | |
| 513 | E | A | -0.1608 | |
| 514 | W | A | 0.0406 | |
| 515 | Q | A | 0.0599 | |
| 516 | T | A | 0.0000 | |
| 517 | S | A | -0.0314 | |
| 518 | T | A | -0.0078 | |
| 519 | N | A | 0.0000 | |
| 520 | P | A | 0.3222 | |
| 521 | S | A | 0.0000 | |
| 522 | V | A | 0.7123 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.8147 | |
| 525 | T | A | 0.0000 | |
| 526 | E | A | -1.3677 | |
| 527 | G | A | -1.4555 | |
| 528 | S | A | -1.5158 | |
| 529 | G | A | -1.6468 | |
| 530 | E | A | -2.2136 | |
| 531 | L | A | -0.8053 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.2388 | |
| 536 | N | A | 0.0000 | |
| 537 | K | A | -2.2602 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.7904 | |
| 540 | D | A | -0.3839 | |
| 541 | V | A | 0.8027 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.2305 | |
| 545 | E | A | -1.0157 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.6134 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.2011 | |
| 551 | L | A | -0.1658 | |
| 552 | G | A | -0.1880 | |
| 553 | S | A | -0.2638 | |
| 554 | G | A | -0.0815 | |
| 555 | P | A | 0.1314 | |
| 556 | P | A | 0.4437 | |
| 557 | L | A | 1.4948 | |
| 558 | T | A | 0.6274 | |
| 559 | H | A | -0.0774 | |
| 560 | Q | A | -0.0186 | |
| 561 | V | A | 0.0000 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 0.7142 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -0.1668 | |
| 566 | P | A | -0.4385 | |
| 567 | G | A | -0.6054 | |
| 568 | G | A | -0.2918 | |
| 569 | P | A | -0.2241 | |
| 570 | I | A | -0.0708 | |
| 571 | P | A | 0.0000 | |
| 572 | K | A | -1.5295 | |
| 573 | S | A | -0.9122 | |
| 574 | Y | A | -0.0319 | |
| 575 | E | A | -1.2719 | |
| 576 | D | A | -1.0279 | |
| 577 | F | A | 0.1865 | |
| 578 | A | A | 0.0000 | |
| 579 | W | A | -0.0301 | |
| 580 | Q | A | -0.0011 | |
| 581 | T | A | 0.0000 | |
| 582 | S | A | 0.0000 | |
| 583 | T | A | -0.0005 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | 0.5096 | |
| 586 | S | A | 0.9131 | |
| 587 | V | A | 1.7416 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | 0.5258 | |
| 590 | T | A | 0.0000 | |
| 591 | E | A | -1.2225 | |
| 592 | G | A | -1.4108 | |
| 593 | S | A | -1.3986 | |
| 594 | G | A | -1.3329 | |
| 595 | T | A | -1.0931 | |
| 596 | L | A | -0.3597 | |
| 597 | W | A | -0.1137 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | -0.6813 | |
| 600 | E | A | -2.4569 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | -1.9760 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.6422 | |
| 605 | A | A | -1.7731 | |
| 606 | K | A | -1.8269 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.4652 | |
| 610 | D | A | -1.2320 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | 0.0000 | |
| 613 | R | A | -2.4770 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.2888 | |
| 616 | R | A | -2.5318 | |
| 617 | A | A | -1.4111 | |
| 618 | G | A | -1.1266 | |
| 619 | S | A | -1.1748 | |
| 620 | G | A | -0.6814 | |
| 621 | P | A | -0.0625 | |
| 622 | P | A | 0.4810 | |
| 623 | L | A | 1.5923 | |
| 624 | T | A | 0.9218 | |
| 625 | H | A | 0.3056 | |
| 626 | Q | A | 0.3022 | |
| 627 | V | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 0.7343 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -0.1518 | |
| 632 | P | A | -0.4314 | |
| 633 | G | A | -0.5990 | |
| 634 | G | A | -0.2524 | |
| 635 | P | A | -0.2405 | |
| 636 | I | A | 0.0339 | |
| 637 | P | A | 0.0000 | |
| 638 | K | A | -1.4914 | |
| 639 | S | A | -0.8989 | |
| 640 | Y | A | -0.0133 | |
| 641 | E | A | -1.2870 | |
| 642 | D | A | -1.0584 | |
| 643 | F | A | 0.1406 | |
| 644 | A | A | 0.0000 | |
| 645 | W | A | 0.0000 | |
| 646 | Q | A | -0.0559 | |
| 647 | T | A | 0.0000 | |
| 648 | S | A | 0.0715 | |
| 649 | T | A | 0.0633 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | 0.6406 | |
| 652 | S | A | 1.2402 | |
| 653 | V | A | 2.3074 | |
| 654 | F | A | 1.4530 | |
| 655 | W | A | 0.6636 | |
| 656 | T | A | -0.1323 | |
| 657 | E | A | -1.2453 | |
| 658 | G | A | -1.4009 | |
| 659 | S | A | -1.2182 | |
| 660 | G | A | -1.1859 | |
| 661 | E | A | -0.9569 | |
| 662 | L | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | -0.9496 | |
| 666 | G | A | -1.6764 | |
| 667 | N | A | 0.0000 | |
| 668 | E | A | -2.4090 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.4479 | |
| 671 | D | A | -1.5733 | |
| 672 | E | A | -1.8609 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -1.5388 | |
| 676 | L | A | -1.2876 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.6139 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.4805 | |
| 682 | L | A | -0.6074 | |
| 683 | G | A | -0.9831 | |
| 684 | S | A | -0.9205 | |
| 685 | G | A | -0.4282 | |
| 686 | P | A | -0.4192 | |
| 687 | P | A | -0.1012 | |
| 688 | L | A | 1.2445 | |
| 689 | T | A | 0.6246 | |
| 690 | H | A | 0.3232 | |
| 691 | Q | A | 0.2773 | |
| 692 | V | A | 1.0146 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.8187 | |
| 695 | V | A | 0.0000 | |
| 696 | P | A | -0.1140 | |
| 697 | P | A | -0.4122 | |
| 698 | G | A | -0.5964 | |
| 699 | G | A | -0.2720 | |
| 700 | P | A | -0.2647 | |
| 701 | I | A | 0.1358 | |
| 702 | P | A | 0.0000 | |
| 703 | K | A | -1.5591 | |
| 704 | S | A | -0.8034 | |
| 705 | Y | A | -0.1199 | |
| 706 | E | A | -1.5883 | |
| 707 | D | A | -1.3114 | |
| 708 | F | A | -0.0686 | |
| 709 | A | A | 0.0000 | |
| 710 | W | A | -0.1685 | |
| 711 | Q | A | 0.0939 | |
| 712 | T | A | 0.0000 | |
| 713 | S | A | 0.0596 | |
| 714 | T | A | -0.0466 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | 0.5386 | |
| 717 | S | A | 0.0000 | |
| 718 | V | A | 2.1801 | |
| 719 | F | A | 0.0000 | |
| 720 | W | A | 0.5832 | |
| 721 | T | A | -0.2093 | |
| 722 | E | A | -1.6211 | |
| 723 | G | A | -1.5011 | |
| 724 | S | A | -1.3279 | |
| 725 | G | A | -1.0486 | |
| 726 | S | A | -0.5745 | |
| 727 | L | A | -0.1715 | |
| 728 | W | A | 0.0773 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -0.9388 | |
| 731 | S | A | -1.7691 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.5871 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -1.1878 | |
| 736 | A | A | -1.2587 | |
| 737 | A | A | -0.8591 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.9172 | |
| 741 | H | A | -0.8695 | |
| 742 | F | A | 0.0000 | |
| 743 | S | A | -1.0556 | |
| 744 | S | A | -0.7958 | |
| 745 | V | A | -0.4114 | |
| 746 | L | A | -0.5167 | |
| 747 | A | A | -0.9626 | |
| 748 | Q | A | -1.3648 | |
| 749 | G | A | -1.1146 | |
| 750 | S | A | -1.0542 | |
| 751 | G | A | -0.6880 | |
| 752 | P | A | 0.0052 | |
| 753 | P | A | 0.3036 | |
| 754 | L | A | 1.6666 | |
| 755 | T | A | 0.8200 | |
| 756 | H | A | 0.1874 | |
| 757 | Q | A | 0.1111 | |
| 758 | V | A | 0.0000 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.4051 | |
| 761 | V | A | 0.0000 | |
| 762 | P | A | -0.1634 | |
| 763 | P | A | -0.3921 | |
| 764 | G | A | -0.4747 | |
| 765 | G | A | -0.0653 | |
| 766 | P | A | 0.3802 | |
| 767 | I | A | 1.2371 | |
| 768 | P | A | 0.0000 | |
| 769 | K | A | -1.1426 | |
| 770 | S | A | -0.3902 | |
| 771 | Y | A | 0.3381 | |
| 772 | E | A | -1.1119 | |
| 773 | D | A | -0.1153 | |
| 774 | F | A | 1.2024 | |
| 775 | A | A | 0.0000 | |
| 776 | W | A | 0.0000 | |
| 777 | Q | A | 0.3513 | |
| 778 | T | A | 0.0000 | |
| 779 | S | A | -0.1667 | |
| 780 | T | A | -0.0634 | |
| 781 | N | A | 0.0000 | |
| 782 | P | A | 0.1691 | |
| 783 | S | A | 0.0000 | |
| 784 | V | A | 1.1038 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 1.0421 | |
| 787 | T | A | 0.2350 | |
| 788 | E | A | -0.9685 | |
| 789 | G | A | -1.3100 | |
| 790 | S | A | -1.1278 | |
| 791 | G | A | -0.9150 | |
| 792 | E | A | -0.5904 | |
| 793 | L | A | 0.0000 | |
| 794 | Q | A | 0.0000 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | 0.0000 | |
| 797 | N | A | -2.3874 | |
| 798 | N | A | 0.0000 | |
| 799 | R | A | -3.1018 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -2.8951 | |
| 802 | D | A | -2.0244 | |
| 803 | A | A | -1.1978 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.1338 | |
| 807 | E | A | -2.2448 | |
| 808 | L | A | 0.0000 | |
| 809 | C | A | 0.0000 | |
| 810 | Q | A | -2.0848 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -0.9994 | |
| 813 | G | A | -1.2187 | |
| 814 | G | A | -1.1644 | |
| 815 | S | A | -0.7876 | |
| 816 | G | A | -0.3339 | |
| 817 | P | A | -0.0083 | |
| 818 | P | A | 0.2485 | |
| 819 | L | A | 1.5284 | |
| 820 | T | A | 0.7288 | |
| 821 | H | A | 0.0784 | |
| 822 | Q | A | 0.1402 | |
| 823 | V | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.4244 | |
| 826 | V | A | 0.0000 | |
| 827 | P | A | -0.3002 | |
| 828 | P | A | -0.5091 | |
| 829 | G | A | -0.6397 | |
| 830 | G | A | -0.3465 | |
| 831 | P | A | -0.2244 | |
| 832 | I | A | 0.2095 | |
| 833 | P | A | 0.0000 | |
| 834 | K | A | -1.2780 | |
| 835 | S | A | -0.5623 | |
| 836 | Y | A | 0.3326 | |
| 837 | E | A | -1.3362 | |
| 838 | D | A | -0.6734 | |
| 839 | F | A | 0.5538 | |
| 840 | A | A | 0.0000 | |
| 841 | W | A | 0.1115 | |
| 842 | Q | A | 0.2270 | |
| 843 | T | A | 0.0000 | |
| 844 | S | A | 0.1113 | |
| 845 | T | A | 0.0148 | |
| 846 | N | A | 0.0000 | |
| 847 | P | A | 0.4932 | |
| 848 | S | A | 0.0000 | |
| 849 | V | A | 1.5367 | |
| 850 | F | A | 0.0000 | |
| 851 | W | A | 0.5414 | |
| 852 | T | A | -0.0262 | |
| 853 | E | A | -0.9254 | |
| 854 | G | A | -1.1844 | |
| 855 | S | A | -1.0706 | |
| 856 | G | A | -0.7397 | |
| 857 | V | A | -0.1609 | |
| 858 | L | A | 0.0000 | |
| 859 | W | A | -0.0820 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | -1.2665 | |
| 862 | D | A | -2.2906 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -2.6475 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -0.8632 | |
| 867 | D | A | -1.0259 | |
| 868 | S | A | -0.9831 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.6091 | |
| 872 | S | A | -0.8166 | |
| 873 | L | A | 0.0000 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.0305 | |
| 876 | T | A | -0.1034 | |
| 877 | L | A | 0.2981 | |
| 878 | L | A | 0.3178 | |
| 879 | A | A | 0.0224 | |
| 880 | G | A | -0.5649 | |
| 881 | S | A | -0.3299 | |
| 882 | G | A | 0.0647 | |
| 883 | P | A | -0.0410 | |
| 884 | P | A | 0.0338 | |
| 885 | L | A | 1.5810 | |
| 886 | T | A | 0.9207 | |
| 887 | H | A | 0.4594 | |
| 888 | Q | A | 0.4545 | |
| 889 | V | A | 0.0000 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 0.8458 | |
| 892 | V | A | 0.0000 | |
| 893 | P | A | -0.1263 | |
| 894 | P | A | -0.4201 | |
| 895 | G | A | -0.6085 | |
| 896 | G | A | -0.2602 | |
| 897 | P | A | -0.1596 | |
| 898 | I | A | 0.2108 | |
| 899 | P | A | 0.0000 | |
| 900 | K | A | -1.3611 | |
| 901 | S | A | -0.5438 | |
| 902 | Y | A | 0.3194 | |
| 903 | E | A | -1.2841 | |
| 904 | D | A | -0.5574 | |
| 905 | F | A | 0.7449 | |
| 906 | A | A | 0.0000 | |
| 907 | W | A | 0.2292 | |
| 908 | Q | A | 0.3558 | |
| 909 | T | A | 0.0000 | |
| 910 | S | A | -0.0755 | |
| 911 | T | A | -0.0498 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | 0.4243 | |
| 914 | S | A | 0.7160 | |
| 915 | V | A | 1.6343 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | 0.6150 | |
| 918 | T | A | -0.4338 | |
| 919 | E | A | -1.6855 | |
| 920 | G | A | -1.5954 | |
| 921 | S | A | -1.2673 | |
| 922 | G | A | -0.8452 | |
| 923 | E | A | -0.6236 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | -0.1891 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | -0.8738 | |
| 928 | N | A | -1.8124 | |
| 929 | N | A | 0.0000 | |
| 930 | C | A | -0.0649 | |
| 931 | L | A | 0.0000 | |
| 932 | G | A | -0.2019 | |
| 933 | D | A | -1.2303 | |
| 934 | A | A | -0.5828 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.7603 | |
| 938 | Q | A | -1.3461 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.4489 | |
| 942 | S | A | 0.0000 | |
| 943 | V | A | -1.3621 | |
| 944 | R | A | -2.6791 | |
| 945 | G | A | -1.7039 | |
| 946 | S | A | -1.2504 | |
| 947 | G | A | -0.8755 | |
| 948 | P | A | -0.4686 | |
| 949 | P | A | -0.1987 | |
| 950 | L | A | 1.3680 | |
| 951 | T | A | 0.7179 | |
| 952 | H | A | 0.3741 | |
| 953 | Q | A | 0.1928 | |
| 954 | V | A | 0.0000 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.3619 | |
| 957 | V | A | 0.0000 | |
| 958 | P | A | -0.2639 | |
| 959 | P | A | -0.4802 | |
| 960 | G | A | -0.6169 | |
| 961 | G | A | -0.3096 | |
| 962 | P | A | -0.2701 | |
| 963 | I | A | 0.1516 | |
| 964 | P | A | 0.0000 | |
| 965 | K | A | -1.4629 | |
| 966 | S | A | -0.7504 | |
| 967 | Y | A | 0.1560 | |
| 968 | E | A | -1.5862 | |
| 969 | D | A | -1.1331 | |
| 970 | F | A | -0.1942 | |
| 971 | A | A | 0.0000 | |
| 972 | W | A | -0.1455 | |
| 973 | Q | A | 0.0595 | |
| 974 | T | A | 0.0000 | |
| 975 | S | A | -0.0834 | |
| 976 | T | A | -0.1783 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | 0.1643 | |
| 979 | S | A | 0.0000 | |
| 980 | V | A | 1.0864 | |
| 981 | F | A | 0.0000 | |
| 982 | W | A | 1.0855 | |
| 983 | T | A | -0.4761 | |
| 984 | E | A | -2.1059 | |
| 985 | G | A | -1.8824 | |
| 986 | S | A | -1.7217 | |
| 987 | G | A | -1.1590 | |
| 988 | Q | A | -1.0466 | |
| 989 | L | A | 0.0000 | |
| 990 | V | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | Y | A | -0.2556 | |
| 993 | D | A | -1.4481 | |
| 994 | I | A | 0.0000 | |
| 995 | Y | A | 0.6356 | |
| 996 | W | A | -0.4949 | |
| 997 | S | A | -1.8917 | |
| 998 | E | A | -3.4726 | |
| 999 | E | A | -3.8721 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -3.2035 | |
| 1002 | D | A | -3.9204 | |
| 1003 | R | A | -3.4160 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.1427 | |
| 1006 | A | A | -2.8966 | |
| 1007 | L | A | -3.3082 | |
| 1008 | E | A | -4.0497 | |
| 1009 | K | A | -3.9714 | |
| 1010 | D | A | -3.6311 | |
| 1011 | G | A | -3.4876 | |
| 1012 | S | A | -2.6248 | |
| 1013 | G | A | -1.7147 | |
| 1014 | P | A | -0.5221 | |
| 1015 | P | A | -0.3146 | |
| 1016 | L | A | 0.9748 | |
| 1017 | T | A | 0.7959 | |
| 1018 | H | A | 0.8087 | |
| 1019 | Q | A | 0.8007 | |
| 1020 | V | A | 0.0000 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.3898 | |
| 1023 | V | A | 0.0000 | |
| 1024 | P | A | -0.3073 | |
| 1025 | P | A | -0.4952 | |
| 1026 | G | A | -0.6239 | |
| 1027 | G | A | -0.3284 | |
| 1028 | P | A | -0.1804 | |
| 1029 | I | A | 0.2232 | |
| 1030 | P | A | 0.0000 | |
| 1031 | K | A | -1.4427 | |
| 1032 | S | A | -0.6828 | |
| 1033 | Y | A | 0.2509 | |
| 1034 | E | A | -1.1907 | |
| 1035 | D | A | -0.4993 | |
| 1036 | F | A | 1.0036 | |
| 1037 | A | A | 0.0000 | |
| 1038 | W | A | -0.1663 | |
| 1039 | Q | A | -0.7276 | |
| 1040 | T | A | -0.3027 | |
| 1041 | S | A | -0.5568 | |
| 1042 | T | A | -0.4739 | |
| 1043 | N | A | 0.0000 | |
| 1044 | P | A | -0.2656 | |
| 1045 | S | A | 0.4685 | |
| 1046 | V | A | 1.7000 | |
| 1047 | F | A | 2.4261 | |
| 1048 | W | A | 1.5825 | |
| 1049 | T | A | -0.0907 | |
| 1050 | E | A | -1.9866 | |
| 1051 | G | A | -1.8674 | |
| 1052 | S | A | -1.8850 | |
| 1053 | G | A | -2.1644 | |
| 1054 | R | A | -2.4190 | |
| 1055 | V | A | -1.0500 | |
| 1056 | I | A | -0.1314 | |
| 1057 | S | A | -0.5331 |
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, -0.2876 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 | -0.2876 | View | CSV | PDB |
| model_11 | -0.4112 | View | CSV | PDB |
| model_10 | -0.4208 | View | CSV | PDB |
| model_1 | -0.4384 | View | CSV | PDB |
| model_9 | -0.4542 | View | CSV | PDB |
| CABS_average | -0.458 | View | CSV | PDB |
| model_2 | -0.4607 | View | CSV | PDB |
| model_5 | -0.4652 | View | CSV | PDB |
| model_6 | -0.468 | View | CSV | PDB |
| model_8 | -0.4698 | View | CSV | PDB |
| model_7 | -0.4722 | View | CSV | PDB |
| model_4 | -0.4747 | View | CSV | PDB |
| model_0 | -0.4791 | View | CSV | PDB |
| model_3 | -0.4814 | 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