Project name: c3-tetra-mutants-dynamic
Status: done
Started: 2026-03-07 14:02:57
| Chain sequence(s) |
A: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA
C: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA B: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA D: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA input PDB |
| Selected Chain(s) | A,B,C,D |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] CABS: Running CABS flex simulation (00:40:47)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (07:59:54)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:00:24)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:00:53)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:01:22)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:01:51)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:02:21)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:02:50)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:03:19)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:03:48)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:04:17)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:04:46)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:05:16)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:05:45)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:06:45)
[INFO] Main: Simulation completed successfully. (08:07:12)
|
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
- -3.8213
- Maximal score value
- 1.5548
- Average score
- -0.5952
- Total score value
- -809.51
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 | G | A | -1.1561 | |
| 2 | P | A | -1.1274 | |
| 3 | Q | A | -1.3435 | |
| 4 | Q | A | -1.1440 | |
| 5 | Q | A | -1.4428 | |
| 6 | Q | A | -1.1080 | |
| 7 | M | A | 0.0000 | |
| 8 | L | A | -0.3485 | |
| 9 | A | A | -0.6455 | |
| 10 | L | A | -0.7168 | |
| 11 | I | A | 0.0000 | |
| 12 | D | A | -2.1885 | |
| 13 | D | A | -1.7078 | |
| 14 | E | A | -1.2713 | |
| 15 | L | A | 0.0000 | |
| 16 | D | A | 0.0000 | |
| 17 | A | A | -0.9727 | |
| 18 | M | A | 0.0000 | |
| 19 | D | A | -3.1411 | |
| 20 | E | A | -3.4236 | |
| 21 | D | A | -3.8213 | |
| 22 | E | A | -3.1490 | |
| 23 | L | A | 0.0000 | |
| 24 | Q | A | -2.8023 | |
| 25 | Q | A | -2.6801 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | R | A | -2.8751 | |
| 29 | L | A | -2.0827 | |
| 30 | I | A | 0.0000 | |
| 31 | E | A | -2.3844 | |
| 32 | K | A | -2.9183 | |
| 33 | K | A | -2.1029 | |
| 34 | K | A | 0.0000 | |
| 35 | R | A | -2.6343 | |
| 36 | A | A | -1.8966 | |
| 37 | R | A | -1.4684 | |
| 38 | L | A | -0.7409 | |
| 39 | Q | A | -1.9788 | |
| 40 | R | A | -2.3719 | |
| 41 | G | A | -1.2437 | |
| 42 | A | A | 0.0000 | |
| 43 | A | A | -1.1544 | |
| 44 | S | A | -1.0261 | |
| 45 | S | A | -0.9960 | |
| 46 | G | A | -0.8622 | |
| 47 | T | A | -0.6276 | |
| 48 | S | A | 0.0000 | |
| 49 | P | A | 0.0119 | |
| 50 | S | A | -0.1783 | |
| 51 | S | A | -0.4753 | |
| 52 | T | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | P | A | 0.3427 | |
| 55 | V | A | 1.1155 | |
| 56 | Y | A | 0.4485 | |
| 57 | D | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | R | A | -2.0563 | |
| 61 | Y | A | 0.0000 | |
| 62 | T | A | -0.7321 | |
| 63 | A | A | -1.0748 | |
| 64 | E | A | -2.0339 | |
| 65 | S | A | -0.4254 | |
| 66 | L | A | 0.7680 | |
| 67 | R | A | 0.2474 | |
| 68 | L | A | 1.4021 | |
| 69 | A | A | 0.3417 | |
| 70 | P | A | 0.0296 | |
| 71 | Y | A | -0.5785 | |
| 72 | P | A | -0.6863 | |
| 73 | A | A | -1.1146 | |
| 74 | D | A | -1.8203 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -1.6595 | |
| 77 | V | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | Q | A | 0.0000 | |
| 84 | D | A | -1.1342 | |
| 85 | H | A | 0.0000 | |
| 86 | Q | A | 0.0000 | |
| 87 | P | A | -1.4329 | |
| 88 | R | A | -2.4979 | |
| 89 | G | A | -1.7725 | |
| 90 | R | A | -2.0446 | |
| 91 | I | A | 0.0000 | |
| 92 | L | A | 0.0303 | |
| 93 | L | A | 0.0000 | |
| 94 | S | A | -1.3127 | |
| 95 | H | A | 0.0000 | |
| 96 | D | A | -2.6031 | |
| 97 | E | A | -1.6755 | |
| 98 | L | A | 0.0000 | |
| 99 | M | A | -1.1336 | |
| 100 | H | A | -1.6093 | |
| 101 | T | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | H | A | -0.3937 | |
| 107 | I | A | 0.0000 | |
| 108 | R | A | 0.0000 | |
| 109 | Q | A | 0.0000 | |
| 110 | Q | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | D | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | E | A | -1.2082 | |
| 116 | E | A | -1.9043 | |
| 117 | P | A | -1.5542 | |
| 118 | L | A | 0.0000 | |
| 119 | L | A | -0.8547 | |
| 120 | R | A | -1.1280 | |
| 121 | K | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | V | A | -0.0509 | |
| 124 | V | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | R | A | -0.2352 | |
| 127 | I | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | R | A | -0.3357 | |
| 132 | N | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | H | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | D | A | 0.0000 | |
| 145 | E | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | K | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | H | A | -0.2084 | |
| 155 | L | A | 0.2601 | |
| 156 | H | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | P | A | -0.4649 | |
| 160 | V | A | 0.0000 | |
| 161 | N | A | -0.1919 | |
| 162 | P | A | 0.0000 | |
| 163 | H | A | -0.7987 | |
| 164 | D | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | Y | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | -0.1824 | |
| 169 | T | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | Q | A | -0.3293 | |
| 176 | L | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | F | A | -0.0498 | |
| 179 | N | A | -0.1571 | |
| 180 | K | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | N | A | -0.2121 | |
| 183 | N | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | L | A | -0.3069 | |
| 187 | G | A | 0.0000 | |
| 188 | C | A | -0.2638 | |
| 189 | I | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | D | A | -1.9409 | |
| 192 | H | A | -1.3548 | |
| 193 | Q | A | 0.0000 | |
| 194 | D | A | -1.4038 | |
| 195 | G | A | -0.7823 | |
| 196 | W | A | -0.7203 | |
| 197 | G | A | -0.8119 | |
| 198 | D | A | 0.0000 | |
| 199 | H | A | -1.0377 | |
| 200 | C | A | -0.8917 | |
| 201 | S | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -1.6317 | |
| 205 | R | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | V | A | -1.1600 | |
| 208 | K | A | -2.0746 | |
| 209 | K | A | -1.5228 | |
| 210 | P | A | -1.0565 | |
| 211 | G | A | -0.7227 | |
| 212 | Q | A | -0.2329 | |
| 213 | M | A | 0.2829 | |
| 214 | S | A | 0.2067 | |
| 215 | A | A | 0.3211 | |
| 216 | W | A | 0.7747 | |
| 217 | L | A | 0.1240 | |
| 218 | R | A | -0.4905 | |
| 219 | D | A | -0.7321 | |
| 220 | D | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | C | A | -1.0873 | |
| 223 | D | A | -1.7691 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -1.2015 | |
| 226 | K | A | -1.3602 | |
| 227 | R | A | -1.3746 | |
| 228 | P | A | -1.4730 | |
| 229 | P | A | 0.0000 | |
| 230 | E | A | -2.0781 | |
| 231 | T | A | -1.1544 | |
| 232 | F | A | -0.7446 | |
| 233 | S | A | -0.8251 | |
| 234 | Q | A | -0.6637 | |
| 235 | P | A | -0.7783 | |
| 236 | M | A | 0.0000 | |
| 237 | H | A | 0.0000 | |
| 238 | R | A | -0.8304 | |
| 239 | A | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | C | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | R | A | -0.6210 | |
| 249 | V | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | -0.6152 | |
| 253 | L | A | 0.0000 | |
| 254 | R | A | -0.4767 | |
| 255 | R | A | -0.3971 | |
| 256 | R | A | -0.5847 | |
| 257 | A | A | 0.0000 | |
| 258 | L | A | 1.2932 | |
| 259 | Q | A | 0.3613 | |
| 260 | V | A | 1.5548 | |
| 261 | T | A | 0.3487 | |
| 262 | G | A | 0.1838 | |
| 263 | T | A | -0.1232 | |
| 264 | P | A | 0.0000 | |
| 265 | Q | A | -1.4422 | |
| 266 | F | A | -0.7027 | |
| 267 | F | A | 0.0000 | |
| 268 | D | A | -1.2941 | |
| 269 | Q | A | -0.9286 | |
| 270 | F | A | -0.5464 | |
| 271 | D | A | -1.3643 | |
| 272 | T | A | -0.8522 | |
| 273 | N | A | 0.0000 | |
| 274 | N | A | -1.1423 | |
| 275 | A | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | -0.7953 | |
| 278 | T | A | -1.0472 | |
| 279 | Y | A | -1.0332 | |
| 280 | R | A | -1.6859 | |
| 281 | C | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | D | A | -1.4544 | |
| 287 | L | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | G | A | -0.9319 | |
| 291 | K | A | -0.7929 | |
| 292 | L | A | 0.0000 | |
| 293 | Q | A | -1.2575 | |
| 294 | C | A | -0.4041 | |
| 295 | H | A | -0.8120 | |
| 296 | E | A | -1.6529 | |
| 297 | C | A | -0.9363 | |
| 298 | Q | A | -1.9538 | |
| 299 | N | A | -2.1137 | |
| 300 | E | A | -2.1350 | |
| 301 | M | A | -1.2056 | |
| 302 | C | A | -0.8844 | |
| 303 | E | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | R | A | -0.4859 | |
| 306 | I | A | 0.0000 | |
| 307 | Q | A | -0.5720 | |
| 308 | R | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | -0.1076 | |
| 311 | A | A | -0.2047 | |
| 312 | P | A | 0.0000 | |
| 313 | Y | A | -0.0662 | |
| 314 | R | A | 0.0000 | |
| 315 | F | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | D | A | -1.1837 | |
| 324 | E | A | -1.0117 | |
| 325 | Q | A | -0.6216 | |
| 326 | S | A | 0.1018 | |
| 327 | L | A | 1.1344 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | -0.3233 | |
| 330 | L | A | 0.0000 | |
| 331 | T | A | -0.0711 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | A | A | -0.3870 | |
| 335 | G | A | -0.4968 | |
| 336 | T | A | 0.0000 | |
| 337 | T | A | -0.3743 | |
| 338 | T | A | -0.1517 | |
| 339 | T | A | -0.0694 | |
| 340 | A | A | -0.4129 | |
| 1 | G | B | -1.5810 | |
| 2 | P | B | -1.8453 | |
| 3 | Q | B | -2.3299 | |
| 4 | Q | B | -2.0972 | |
| 5 | Q | B | -2.0903 | |
| 6 | Q | B | -2.0821 | |
| 7 | M | B | -1.1566 | |
| 8 | L | B | -0.4509 | |
| 9 | A | B | -1.3153 | |
| 10 | L | B | -1.2938 | |
| 11 | I | B | -1.1263 | |
| 12 | D | B | -2.5206 | |
| 13 | D | B | -2.7068 | |
| 14 | E | B | -2.5130 | |
| 15 | L | B | 0.0000 | |
| 16 | D | B | -1.3678 | |
| 17 | A | B | -1.0671 | |
| 18 | M | B | 0.0000 | |
| 19 | D | B | -2.4966 | |
| 20 | E | B | -2.3133 | |
| 21 | D | B | -2.9591 | |
| 22 | E | B | -2.3729 | |
| 23 | L | B | 0.0000 | |
| 24 | Q | B | -2.4121 | |
| 25 | Q | B | -2.4554 | |
| 26 | L | B | 0.0000 | |
| 27 | S | B | 0.0000 | |
| 28 | R | B | -2.6939 | |
| 29 | L | B | -2.0329 | |
| 30 | I | B | 0.0000 | |
| 31 | E | B | -1.9452 | |
| 32 | K | B | -2.5720 | |
| 33 | K | B | 0.0000 | |
| 34 | K | B | 0.0000 | |
| 35 | R | B | -3.0822 | |
| 36 | A | B | -2.3889 | |
| 37 | R | B | -2.5478 | |
| 38 | L | B | -2.5770 | |
| 39 | Q | B | -2.9312 | |
| 40 | R | B | -3.0757 | |
| 41 | G | B | -1.9803 | |
| 42 | A | B | -1.6115 | |
| 43 | A | B | -0.8402 | |
| 44 | S | B | -0.7715 | |
| 45 | S | B | -0.9296 | |
| 46 | G | B | -0.6687 | |
| 47 | T | B | -0.8440 | |
| 48 | S | B | -0.9097 | |
| 49 | P | B | -0.7722 | |
| 50 | S | B | -0.6671 | |
| 51 | S | B | -0.7690 | |
| 52 | T | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | P | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | Y | B | 0.0000 | |
| 57 | D | B | -0.7155 | |
| 58 | L | B | 0.0000 | |
| 59 | Q | B | -1.4764 | |
| 60 | R | B | -0.9533 | |
| 61 | Y | B | 0.0000 | |
| 62 | T | B | 0.0000 | |
| 63 | A | B | 0.0000 | |
| 64 | E | B | -1.3418 | |
| 65 | S | B | -0.5397 | |
| 66 | L | B | 0.2770 | |
| 67 | R | B | -0.0508 | |
| 68 | L | B | 0.5750 | |
| 69 | A | B | 0.0688 | |
| 70 | P | B | -0.2818 | |
| 71 | Y | B | -0.2951 | |
| 72 | P | B | -0.7376 | |
| 73 | A | B | -1.3459 | |
| 74 | D | B | -2.2650 | |
| 75 | L | B | 0.0000 | |
| 76 | K | B | -2.0300 | |
| 77 | V | B | 0.0000 | |
| 78 | P | B | 0.0000 | |
| 79 | T | B | 0.0000 | |
| 80 | A | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | P | B | 0.0000 | |
| 83 | Q | B | 0.0000 | |
| 84 | D | B | 0.0000 | |
| 85 | H | B | -1.6139 | |
| 86 | Q | B | -2.0202 | |
| 87 | P | B | -2.0350 | |
| 88 | R | B | -2.1132 | |
| 89 | G | B | -2.3005 | |
| 90 | R | B | -2.4893 | |
| 91 | I | B | 0.0000 | |
| 92 | L | B | 0.1849 | |
| 93 | L | B | 0.0000 | |
| 94 | S | B | -0.9258 | |
| 95 | H | B | -1.4610 | |
| 96 | D | B | -1.9716 | |
| 97 | E | B | -1.8117 | |
| 98 | L | B | 0.0000 | |
| 99 | M | B | -0.5163 | |
| 100 | H | B | -1.0960 | |
| 101 | T | B | -0.8693 | |
| 102 | D | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | H | B | 0.0000 | |
| 107 | I | B | 0.0000 | |
| 108 | R | B | 0.0000 | |
| 109 | Q | B | 0.0000 | |
| 110 | Q | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | D | B | 0.0000 | |
| 113 | W | B | -0.8056 | |
| 114 | L | B | 0.0000 | |
| 115 | E | B | -2.6282 | |
| 116 | E | B | -2.4496 | |
| 117 | P | B | -2.0229 | |
| 118 | L | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | R | B | -2.4855 | |
| 121 | K | B | -1.4881 | |
| 122 | L | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | E | B | 0.0000 | |
| 126 | R | B | 0.0000 | |
| 127 | I | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | R | B | 0.0000 | |
| 132 | N | B | 0.0000 | |
| 133 | A | B | 0.0000 | |
| 134 | P | B | 0.0000 | |
| 135 | N | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | H | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | I | B | 0.0000 | |
| 143 | I | B | 0.0000 | |
| 144 | D | B | 0.0000 | |
| 145 | E | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | S | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | K | B | 0.0000 | |
| 152 | Y | B | 0.0000 | |
| 153 | H | B | 0.0000 | |
| 154 | H | B | 0.0698 | |
| 155 | L | B | 0.9136 | |
| 156 | H | B | 0.3808 | |
| 157 | G | B | 0.1844 | |
| 158 | L | B | 0.0517 | |
| 159 | P | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | P | B | 0.0000 | |
| 163 | H | B | -0.7590 | |
| 164 | D | B | 0.0000 | |
| 165 | P | B | 0.0000 | |
| 166 | Y | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | E | B | -0.1893 | |
| 169 | T | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | G | B | -0.1403 | |
| 172 | G | B | 0.0000 | |
| 173 | M | B | 0.0000 | |
| 174 | R | B | 0.0000 | |
| 175 | Q | B | -0.6395 | |
| 176 | L | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | F | B | -0.3911 | |
| 179 | N | B | -0.7236 | |
| 180 | K | B | 0.0000 | |
| 181 | L | B | 0.0000 | |
| 182 | N | B | -0.4910 | |
| 183 | N | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | D | B | -0.1801 | |
| 186 | L | B | -0.3977 | |
| 187 | G | B | 0.0000 | |
| 188 | C | B | -0.0207 | |
| 189 | I | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | D | B | -2.0790 | |
| 192 | H | B | -1.9635 | |
| 193 | Q | B | -2.1675 | |
| 194 | D | B | -2.5498 | |
| 195 | G | B | -1.7693 | |
| 196 | W | B | -1.4711 | |
| 197 | G | B | -1.3565 | |
| 198 | D | B | 0.0000 | |
| 199 | H | B | -0.9700 | |
| 200 | C | B | 0.0000 | |
| 201 | S | B | -0.8016 | |
| 202 | T | B | -0.7990 | |
| 203 | L | B | 0.0000 | |
| 204 | K | B | -2.1401 | |
| 205 | R | B | -1.8725 | |
| 206 | L | B | 0.0000 | |
| 207 | V | B | -1.3485 | |
| 208 | K | B | -2.2097 | |
| 209 | K | B | 0.0000 | |
| 210 | P | B | -0.7449 | |
| 211 | G | B | -0.6614 | |
| 212 | Q | B | -0.3293 | |
| 213 | M | B | 0.4203 | |
| 214 | S | B | 0.0225 | |
| 215 | A | B | -0.0637 | |
| 216 | W | B | -0.0186 | |
| 217 | L | B | -0.2076 | |
| 218 | R | B | -1.0436 | |
| 219 | D | B | -1.4719 | |
| 220 | D | B | 0.0000 | |
| 221 | V | B | 0.0000 | |
| 222 | C | B | -1.5885 | |
| 223 | D | B | -2.6907 | |
| 224 | L | B | 0.0000 | |
| 225 | Q | B | -2.0107 | |
| 226 | K | B | -2.7803 | |
| 227 | R | B | -2.4236 | |
| 228 | P | B | -2.0782 | |
| 229 | P | B | 0.0000 | |
| 230 | E | B | -2.3245 | |
| 231 | T | B | -1.4930 | |
| 232 | F | B | -0.8896 | |
| 233 | S | B | -0.9421 | |
| 234 | Q | B | -1.2894 | |
| 235 | P | B | -0.8856 | |
| 236 | M | B | 0.0000 | |
| 237 | H | B | 0.0000 | |
| 238 | R | B | -1.0742 | |
| 239 | A | B | 0.0000 | |
| 240 | M | B | 0.0000 | |
| 241 | A | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | V | B | 0.0000 | |
| 244 | C | B | 0.0000 | |
| 245 | S | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | S | B | 0.0000 | |
| 248 | R | B | -0.3363 | |
| 249 | V | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | V | B | -0.7343 | |
| 252 | S | B | -1.2348 | |
| 253 | L | B | 0.0000 | |
| 254 | R | B | -1.6516 | |
| 255 | R | B | -2.5561 | |
| 256 | R | B | -2.4376 | |
| 257 | A | B | 0.0000 | |
| 258 | L | B | -0.9103 | |
| 259 | Q | B | -1.4986 | |
| 260 | V | B | -0.5007 | |
| 261 | T | B | -0.1367 | |
| 262 | G | B | -0.2648 | |
| 263 | T | B | -0.3824 | |
| 264 | P | B | -0.8287 | |
| 265 | Q | B | -1.5909 | |
| 266 | F | B | 0.0000 | |
| 267 | F | B | 0.0000 | |
| 268 | D | B | -1.1808 | |
| 269 | Q | B | -1.3114 | |
| 270 | F | B | -0.0436 | |
| 271 | D | B | -0.7315 | |
| 272 | T | B | -0.8020 | |
| 273 | N | B | 0.0000 | |
| 274 | N | B | -1.4386 | |
| 275 | A | B | 0.0000 | |
| 276 | M | B | 0.0000 | |
| 277 | G | B | -0.4396 | |
| 278 | T | B | -0.8888 | |
| 279 | Y | B | -0.4453 | |
| 280 | R | B | -1.4673 | |
| 281 | C | B | 0.0000 | |
| 282 | G | B | -0.7970 | |
| 283 | A | B | 0.0000 | |
| 284 | V | B | 0.0000 | |
| 285 | S | B | 0.0000 | |
| 286 | D | B | -1.0303 | |
| 287 | L | B | 0.0000 | |
| 288 | I | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | G | B | -0.7632 | |
| 291 | K | B | -0.6236 | |
| 292 | L | B | 0.0000 | |
| 293 | Q | B | -1.1258 | |
| 294 | C | B | -0.0872 | |
| 295 | H | B | 0.0000 | |
| 296 | E | B | -1.2425 | |
| 297 | C | B | -0.6674 | |
| 298 | Q | B | -1.7491 | |
| 299 | N | B | -1.9200 | |
| 300 | E | B | -1.5664 | |
| 301 | M | B | -0.8607 | |
| 302 | C | B | 0.0000 | |
| 303 | E | B | -1.3542 | |
| 304 | L | B | 0.0000 | |
| 305 | R | B | 0.0000 | |
| 306 | I | B | 0.0000 | |
| 307 | Q | B | -0.6043 | |
| 308 | R | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | L | B | -0.0227 | |
| 311 | A | B | 0.0000 | |
| 312 | P | B | 0.0000 | |
| 313 | Y | B | 0.0000 | |
| 314 | R | B | 0.0000 | |
| 315 | F | B | 0.0000 | |
| 316 | M | B | -0.0027 | |
| 317 | I | B | 0.0000 | |
| 318 | A | B | 0.0000 | |
| 319 | Y | B | 0.0000 | |
| 320 | C | B | 0.0000 | |
| 321 | P | B | 0.0000 | |
| 322 | F | B | 0.0000 | |
| 323 | D | B | -2.1368 | |
| 324 | E | B | -2.0882 | |
| 325 | Q | B | -1.7076 | |
| 326 | S | B | -1.2918 | |
| 327 | L | B | 0.0000 | |
| 328 | L | B | -0.8827 | |
| 329 | D | B | -1.6074 | |
| 330 | L | B | -0.6670 | |
| 331 | T | B | -0.4850 | |
| 332 | V | B | 0.0000 | |
| 333 | F | B | 0.0000 | |
| 334 | A | B | -0.3323 | |
| 335 | G | B | -0.2355 | |
| 336 | T | B | 0.0000 | |
| 337 | T | B | -0.1698 | |
| 338 | T | B | -0.1814 | |
| 339 | T | B | -0.5802 | |
| 340 | A | B | -0.7591 | |
| 1 | G | C | -1.5009 | |
| 2 | P | C | -1.4245 | |
| 3 | Q | C | -1.7701 | |
| 4 | Q | C | -1.9788 | |
| 5 | Q | C | -1.7532 | |
| 6 | Q | C | -1.4765 | |
| 7 | M | C | 0.0000 | |
| 8 | L | C | -0.0831 | |
| 9 | A | C | -0.7852 | |
| 10 | L | C | -1.3626 | |
| 11 | I | C | -1.2828 | |
| 12 | D | C | -2.4223 | |
| 13 | D | C | -2.9072 | |
| 14 | E | C | -2.2743 | |
| 15 | L | C | 0.0000 | |
| 16 | D | C | -3.0238 | |
| 17 | A | C | 0.0000 | |
| 18 | M | C | -2.4306 | |
| 19 | D | C | -3.3318 | |
| 20 | E | C | -3.5021 | |
| 21 | D | C | -3.6839 | |
| 22 | E | C | -3.3177 | |
| 23 | L | C | 0.0000 | |
| 24 | Q | C | -2.7727 | |
| 25 | Q | C | -2.6287 | |
| 26 | L | C | 0.0000 | |
| 27 | S | C | 0.0000 | |
| 28 | R | C | -1.8722 | |
| 29 | L | C | 0.0000 | |
| 30 | I | C | 0.0000 | |
| 31 | E | C | -1.5651 | |
| 32 | K | C | -2.0211 | |
| 33 | K | C | 0.0000 | |
| 34 | K | C | 0.0000 | |
| 35 | R | C | -2.2912 | |
| 36 | A | C | -1.8196 | |
| 37 | R | C | -1.7521 | |
| 38 | L | C | -1.5014 | |
| 39 | Q | C | -2.3069 | |
| 40 | R | C | -2.5802 | |
| 41 | G | C | -2.0367 | |
| 42 | A | C | 0.0000 | |
| 43 | A | C | -1.0436 | |
| 44 | S | C | -0.6603 | |
| 45 | S | C | -0.9309 | |
| 46 | G | C | -0.9845 | |
| 47 | T | C | -0.6969 | |
| 48 | S | C | -0.6638 | |
| 49 | P | C | -0.4320 | |
| 50 | S | C | -0.3442 | |
| 51 | S | C | 0.0000 | |
| 52 | T | C | 0.0000 | |
| 53 | S | C | -0.0262 | |
| 54 | P | C | 0.0000 | |
| 55 | V | C | 0.4971 | |
| 56 | Y | C | -0.0658 | |
| 57 | D | C | -0.8361 | |
| 58 | L | C | 0.0000 | |
| 59 | Q | C | 0.0000 | |
| 60 | R | C | -1.9899 | |
| 61 | Y | C | 0.0000 | |
| 62 | T | C | -0.6636 | |
| 63 | A | C | -1.5201 | |
| 64 | E | C | -1.3925 | |
| 65 | S | C | -0.4384 | |
| 66 | L | C | -0.2743 | |
| 67 | R | C | 0.0213 | |
| 68 | L | C | 0.9570 | |
| 69 | A | C | 0.0662 | |
| 70 | P | C | -0.4603 | |
| 71 | Y | C | 0.0000 | |
| 72 | P | C | -0.4378 | |
| 73 | A | C | -0.9994 | |
| 74 | D | C | -1.6636 | |
| 75 | L | C | -1.0074 | |
| 76 | K | C | -1.0198 | |
| 77 | V | C | -0.8068 | |
| 78 | P | C | 0.0000 | |
| 79 | T | C | 0.0000 | |
| 80 | A | C | 0.0000 | |
| 81 | F | C | 0.0000 | |
| 82 | P | C | 0.0000 | |
| 83 | Q | C | 0.0000 | |
| 84 | D | C | -1.4089 | |
| 85 | H | C | 0.0000 | |
| 86 | Q | C | -1.2543 | |
| 87 | P | C | -1.0677 | |
| 88 | R | C | -1.4343 | |
| 89 | G | C | -1.3381 | |
| 90 | R | C | -1.9998 | |
| 91 | I | C | 0.0000 | |
| 92 | L | C | 0.4339 | |
| 93 | L | C | 0.0000 | |
| 94 | S | C | -1.0303 | |
| 95 | H | C | -2.1576 | |
| 96 | D | C | -2.9328 | |
| 97 | E | C | -2.2796 | |
| 98 | L | C | 0.0000 | |
| 99 | M | C | 0.0000 | |
| 100 | H | C | -1.2947 | |
| 101 | T | C | 0.0000 | |
| 102 | D | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | L | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | H | C | 0.0000 | |
| 107 | I | C | 0.0000 | |
| 108 | R | C | 0.0000 | |
| 109 | Q | C | 0.0000 | |
| 110 | Q | C | 0.0000 | |
| 111 | F | C | 0.0000 | |
| 112 | D | C | 0.0000 | |
| 113 | W | C | -0.3893 | |
| 114 | L | C | 0.0000 | |
| 115 | E | C | -1.3766 | |
| 116 | E | C | -1.3997 | |
| 117 | P | C | -1.2364 | |
| 118 | L | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | R | C | -0.7384 | |
| 121 | K | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | V | C | 0.0000 | |
| 125 | E | C | 0.0000 | |
| 126 | R | C | 0.0000 | |
| 127 | I | C | 0.3256 | |
| 128 | F | C | 0.0000 | |
| 129 | A | C | 0.0000 | |
| 130 | V | C | 0.0000 | |
| 131 | R | C | -0.2275 | |
| 132 | N | C | 0.0000 | |
| 133 | A | C | 0.0000 | |
| 134 | P | C | 0.0000 | |
| 135 | N | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | H | C | 0.0000 | |
| 138 | T | C | 0.0000 | |
| 139 | L | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | A | C | 0.0000 | |
| 142 | I | C | 0.0000 | |
| 143 | I | C | 0.0000 | |
| 144 | D | C | 0.0000 | |
| 145 | E | C | 0.0000 | |
| 146 | T | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | S | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | M | C | 0.0000 | |
| 151 | K | C | 0.0000 | |
| 152 | Y | C | 0.0000 | |
| 153 | H | C | 0.0000 | |
| 154 | H | C | -0.1645 | |
| 155 | L | C | 0.0171 | |
| 156 | H | C | -0.4527 | |
| 157 | G | C | -0.5087 | |
| 158 | L | C | 0.0000 | |
| 159 | P | C | -0.4008 | |
| 160 | V | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | P | C | 0.0000 | |
| 163 | H | C | 0.0000 | |
| 164 | D | C | 0.0000 | |
| 165 | P | C | 0.0000 | |
| 166 | Y | C | 0.0000 | |
| 167 | L | C | 0.0000 | |
| 168 | E | C | 0.0000 | |
| 169 | T | C | 0.0000 | |
| 170 | V | C | 0.0000 | |
| 171 | G | C | -0.1101 | |
| 172 | G | C | -0.2526 | |
| 173 | M | C | 0.0000 | |
| 174 | R | C | 0.0000 | |
| 175 | Q | C | -0.5837 | |
| 176 | L | C | -0.2781 | |
| 177 | L | C | 0.0000 | |
| 178 | F | C | 0.0000 | |
| 179 | N | C | -0.2687 | |
| 180 | K | C | 0.0000 | |
| 181 | L | C | 0.0000 | |
| 182 | N | C | 0.0000 | |
| 183 | N | C | -0.1845 | |
| 184 | L | C | 0.0000 | |
| 185 | D | C | 0.0000 | |
| 186 | L | C | 0.0000 | |
| 187 | G | C | 0.0000 | |
| 188 | C | C | -0.9343 | |
| 189 | I | C | 0.0000 | |
| 190 | L | C | 0.0000 | |
| 191 | D | C | -2.3156 | |
| 192 | H | C | -1.4384 | |
| 193 | Q | C | 0.0000 | |
| 194 | D | C | -0.7117 | |
| 195 | G | C | -0.1668 | |
| 196 | W | C | 0.7693 | |
| 197 | G | C | -0.2717 | |
| 198 | D | C | -0.8272 | |
| 199 | H | C | -1.4027 | |
| 200 | C | C | 0.0000 | |
| 201 | S | C | 0.0000 | |
| 202 | T | C | -0.5770 | |
| 203 | L | C | 0.0000 | |
| 204 | K | C | -1.0105 | |
| 205 | R | C | -1.4228 | |
| 206 | L | C | 0.0000 | |
| 207 | V | C | -0.8120 | |
| 208 | K | C | -1.2538 | |
| 209 | K | C | -1.9227 | |
| 210 | P | C | -1.0376 | |
| 211 | G | C | -0.8349 | |
| 212 | Q | C | -0.5945 | |
| 213 | M | C | -0.3732 | |
| 214 | S | C | -0.5380 | |
| 215 | A | C | -0.3377 | |
| 216 | W | C | 0.1887 | |
| 217 | L | C | -0.2500 | |
| 218 | R | C | -2.0224 | |
| 219 | D | C | -1.9219 | |
| 220 | D | C | -2.5897 | |
| 221 | V | C | -1.9794 | |
| 222 | C | C | -2.2617 | |
| 223 | D | C | -2.7216 | |
| 224 | L | C | 0.0000 | |
| 225 | Q | C | 0.0000 | |
| 226 | K | C | -3.1678 | |
| 227 | R | C | -3.2399 | |
| 228 | P | C | 0.0000 | |
| 229 | P | C | 0.0000 | |
| 230 | E | C | -2.3427 | |
| 231 | T | C | -1.4273 | |
| 232 | F | C | -0.7680 | |
| 233 | S | C | -0.9081 | |
| 234 | Q | C | -0.9722 | |
| 235 | P | C | -0.7470 | |
| 236 | M | C | 0.0000 | |
| 237 | H | C | 0.0000 | |
| 238 | R | C | -1.0327 | |
| 239 | A | C | 0.0000 | |
| 240 | M | C | 0.0000 | |
| 241 | A | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | V | C | 0.0000 | |
| 244 | C | C | 0.0000 | |
| 245 | S | C | 0.0000 | |
| 246 | F | C | 0.0000 | |
| 247 | S | C | 0.0000 | |
| 248 | R | C | -0.3476 | |
| 249 | V | C | 0.0000 | |
| 250 | A | C | 0.0000 | |
| 251 | V | C | -0.1297 | |
| 252 | S | C | -0.2938 | |
| 253 | L | C | 0.0000 | |
| 254 | R | C | -0.3519 | |
| 255 | R | C | -0.6359 | |
| 256 | R | C | -0.5569 | |
| 257 | A | C | 0.0000 | |
| 258 | L | C | 0.3367 | |
| 259 | Q | C | -0.2062 | |
| 260 | V | C | 0.4830 | |
| 261 | T | C | 0.0524 | |
| 262 | G | C | -0.2340 | |
| 263 | T | C | -0.1341 | |
| 264 | P | C | 0.0000 | |
| 265 | Q | C | -0.4239 | |
| 266 | F | C | 0.0000 | |
| 267 | F | C | 0.0494 | |
| 268 | D | C | 0.0000 | |
| 269 | Q | C | -1.0961 | |
| 270 | F | C | -0.2978 | |
| 271 | D | C | -0.9972 | |
| 272 | T | C | -1.2207 | |
| 273 | N | C | 0.0000 | |
| 274 | N | C | -1.5927 | |
| 275 | A | C | 0.0000 | |
| 276 | M | C | 0.0000 | |
| 277 | G | C | -0.6132 | |
| 278 | T | C | -0.9342 | |
| 279 | Y | C | -0.7746 | |
| 280 | R | C | -2.0732 | |
| 281 | C | C | 0.0000 | |
| 282 | G | C | 0.0000 | |
| 283 | A | C | 0.0000 | |
| 284 | V | C | 0.0000 | |
| 285 | S | C | 0.0000 | |
| 286 | D | C | -1.0587 | |
| 287 | L | C | -0.7493 | |
| 288 | I | C | 0.0000 | |
| 289 | L | C | 0.0000 | |
| 290 | G | C | -1.2622 | |
| 291 | K | C | 0.0000 | |
| 292 | L | C | 0.0000 | |
| 293 | Q | C | -1.5143 | |
| 294 | C | C | -1.3455 | |
| 295 | H | C | 0.0000 | |
| 296 | E | C | -2.2498 | |
| 297 | C | C | -1.7452 | |
| 298 | Q | C | -2.5004 | |
| 299 | N | C | -2.5422 | |
| 300 | E | C | -2.9317 | |
| 301 | M | C | -1.9045 | |
| 302 | C | C | 0.0000 | |
| 303 | E | C | -2.6393 | |
| 304 | L | C | 0.0000 | |
| 305 | R | C | -1.0955 | |
| 306 | I | C | 0.0000 | |
| 307 | Q | C | -0.7745 | |
| 308 | R | C | 0.0000 | |
| 309 | A | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | A | C | -0.1204 | |
| 312 | P | C | -0.0931 | |
| 313 | Y | C | 0.0000 | |
| 314 | R | C | 0.0000 | |
| 315 | F | C | 0.0000 | |
| 316 | M | C | 0.0000 | |
| 317 | I | C | 0.0000 | |
| 318 | A | C | 0.0000 | |
| 319 | Y | C | 0.0000 | |
| 320 | C | C | 0.0000 | |
| 321 | P | C | 0.0000 | |
| 322 | F | C | -0.6327 | |
| 323 | D | C | -1.8874 | |
| 324 | E | C | -2.1326 | |
| 325 | Q | C | 0.0000 | |
| 326 | S | C | -0.9677 | |
| 327 | L | C | 0.0173 | |
| 328 | L | C | 0.0000 | |
| 329 | D | C | -1.0756 | |
| 330 | L | C | 0.1118 | |
| 331 | T | C | -0.1248 | |
| 332 | V | C | 0.1036 | |
| 333 | F | C | 0.0000 | |
| 334 | A | C | 0.0000 | |
| 335 | G | C | -0.2464 | |
| 336 | T | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | T | C | -0.1424 | |
| 339 | T | C | -0.4128 | |
| 340 | A | C | -0.4591 | |
| 1 | G | D | -1.3340 | |
| 2 | P | D | -1.2421 | |
| 3 | Q | D | -1.3611 | |
| 4 | Q | D | -1.3033 | |
| 5 | Q | D | -1.4302 | |
| 6 | Q | D | -0.8920 | |
| 7 | M | D | 0.0000 | |
| 8 | L | D | 0.4193 | |
| 9 | A | D | -0.0894 | |
| 10 | L | D | -0.2159 | |
| 11 | I | D | -0.6600 | |
| 12 | D | D | -1.4760 | |
| 13 | D | D | -1.4467 | |
| 14 | E | D | -1.5747 | |
| 15 | L | D | 0.0000 | |
| 16 | D | D | -1.0525 | |
| 17 | A | D | -0.7373 | |
| 18 | M | D | -1.4658 | |
| 19 | D | D | -2.4403 | |
| 20 | E | D | -2.4423 | |
| 21 | D | D | -3.1578 | |
| 22 | E | D | -2.6794 | |
| 23 | L | D | 0.0000 | |
| 24 | Q | D | -2.7536 | |
| 25 | Q | D | -2.8177 | |
| 26 | L | D | 0.0000 | |
| 27 | S | D | 0.0000 | |
| 28 | R | D | -3.0252 | |
| 29 | L | D | 0.0000 | |
| 30 | I | D | 0.0000 | |
| 31 | E | D | -1.9861 | |
| 32 | K | D | -2.2116 | |
| 33 | K | D | -1.8728 | |
| 34 | K | D | 0.0000 | |
| 35 | R | D | -3.0536 | |
| 36 | A | D | -2.1954 | |
| 37 | R | D | 0.0000 | |
| 38 | L | D | -2.6957 | |
| 39 | Q | D | -2.9030 | |
| 40 | R | D | -2.8682 | |
| 41 | G | D | -2.5377 | |
| 42 | A | D | -1.6709 | |
| 43 | A | D | -0.7829 | |
| 44 | S | D | -0.7436 | |
| 45 | S | D | 0.0000 | |
| 46 | G | D | -0.5411 | |
| 47 | T | D | -0.2988 | |
| 48 | S | D | -0.5231 | |
| 49 | P | D | -0.5114 | |
| 50 | S | D | 0.0000 | |
| 51 | S | D | -0.5883 | |
| 52 | T | D | -0.2866 | |
| 53 | S | D | 0.0000 | |
| 54 | P | D | 0.2539 | |
| 55 | V | D | 0.9668 | |
| 56 | Y | D | 1.2337 | |
| 57 | D | D | 0.0000 | |
| 58 | L | D | 0.0000 | |
| 59 | Q | D | 0.0000 | |
| 60 | R | D | -2.4902 | |
| 61 | Y | D | 0.0000 | |
| 62 | T | D | 0.0000 | |
| 63 | A | D | -2.4306 | |
| 64 | E | D | -2.5920 | |
| 65 | S | D | 0.0000 | |
| 66 | L | D | 0.0000 | |
| 67 | R | D | -1.8586 | |
| 68 | L | D | 0.0456 | |
| 69 | A | D | 0.0000 | |
| 70 | P | D | -0.4618 | |
| 71 | Y | D | 0.0000 | |
| 72 | P | D | -0.6781 | |
| 73 | A | D | -0.1365 | |
| 74 | D | D | -0.3213 | |
| 75 | L | D | -0.2186 | |
| 76 | K | D | 0.0000 | |
| 77 | V | D | 0.0000 | |
| 78 | P | D | 0.0000 | |
| 79 | T | D | 0.0000 | |
| 80 | A | D | 0.0000 | |
| 81 | F | D | 0.0000 | |
| 82 | P | D | 0.0000 | |
| 83 | Q | D | 0.0000 | |
| 84 | D | D | 0.0000 | |
| 85 | H | D | -2.0102 | |
| 86 | Q | D | -1.9532 | |
| 87 | P | D | 0.0000 | |
| 88 | R | D | -1.2305 | |
| 89 | G | D | -1.3425 | |
| 90 | R | D | -1.3824 | |
| 91 | I | D | 0.0000 | |
| 92 | L | D | 0.3605 | |
| 93 | L | D | 0.0000 | |
| 94 | S | D | -1.0045 | |
| 95 | H | D | 0.0000 | |
| 96 | D | D | -2.4817 | |
| 97 | E | D | -1.5426 | |
| 98 | L | D | 0.0000 | |
| 99 | M | D | -1.1063 | |
| 100 | H | D | -1.4122 | |
| 101 | T | D | 0.0000 | |
| 102 | D | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | L | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | H | D | 0.0000 | |
| 107 | I | D | 0.0000 | |
| 108 | R | D | 0.0000 | |
| 109 | Q | D | 0.0000 | |
| 110 | Q | D | 0.0000 | |
| 111 | F | D | 0.0000 | |
| 112 | D | D | 0.0000 | |
| 113 | W | D | 0.0000 | |
| 114 | L | D | 0.0000 | |
| 115 | E | D | -0.8881 | |
| 116 | E | D | -1.5467 | |
| 117 | P | D | -1.3610 | |
| 118 | L | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | R | D | -2.1920 | |
| 121 | K | D | -1.3658 | |
| 122 | L | D | 0.0000 | |
| 123 | V | D | 0.0000 | |
| 124 | V | D | -0.3597 | |
| 125 | E | D | 0.0000 | |
| 126 | R | D | 0.0000 | |
| 127 | I | D | 0.3215 | |
| 128 | F | D | 0.0000 | |
| 129 | A | D | 0.0000 | |
| 130 | V | D | 0.0000 | |
| 131 | R | D | 0.0000 | |
| 132 | N | D | 0.0000 | |
| 133 | A | D | 0.0000 | |
| 134 | P | D | 0.0000 | |
| 135 | N | D | 0.0000 | |
| 136 | L | D | 0.0000 | |
| 137 | H | D | 0.0000 | |
| 138 | T | D | 0.0000 | |
| 139 | L | D | 0.0000 | |
| 140 | L | D | 0.0000 | |
| 141 | A | D | 0.0000 | |
| 142 | I | D | 0.0000 | |
| 143 | I | D | 0.0000 | |
| 144 | D | D | 0.0000 | |
| 145 | E | D | 0.0000 | |
| 146 | T | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | S | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | M | D | 0.0000 | |
| 151 | K | D | 0.0000 | |
| 152 | Y | D | 0.0000 | |
| 153 | H | D | 0.0000 | |
| 154 | H | D | -0.5746 | |
| 155 | L | D | 0.3026 | |
| 156 | H | D | -0.3460 | |
| 157 | G | D | -0.6902 | |
| 158 | L | D | 0.0000 | |
| 159 | P | D | -0.6531 | |
| 160 | V | D | 0.0000 | |
| 161 | N | D | 0.0000 | |
| 162 | P | D | 0.0000 | |
| 163 | H | D | -0.4728 | |
| 164 | D | D | 0.0000 | |
| 165 | P | D | 0.0000 | |
| 166 | Y | D | 0.0000 | |
| 167 | L | D | 0.0000 | |
| 168 | E | D | -0.6929 | |
| 169 | T | D | 0.0000 | |
| 170 | V | D | 0.0000 | |
| 171 | G | D | -0.1765 | |
| 172 | G | D | 0.0000 | |
| 173 | M | D | 0.0000 | |
| 174 | R | D | 0.0000 | |
| 175 | Q | D | -0.5510 | |
| 176 | L | D | 0.0000 | |
| 177 | L | D | 0.0000 | |
| 178 | F | D | -0.5191 | |
| 179 | N | D | -0.7687 | |
| 180 | K | D | 0.0000 | |
| 181 | L | D | 0.0000 | |
| 182 | N | D | -1.3839 | |
| 183 | N | D | 0.0000 | |
| 184 | L | D | 0.0000 | |
| 185 | D | D | 0.0000 | |
| 186 | L | D | 0.0000 | |
| 187 | G | D | 0.0000 | |
| 188 | C | D | 0.0000 | |
| 189 | I | D | 0.0000 | |
| 190 | L | D | 0.0000 | |
| 191 | D | D | -1.7452 | |
| 192 | H | D | -1.9933 | |
| 193 | Q | D | -2.2917 | |
| 194 | D | D | -2.6817 | |
| 195 | G | D | 0.0000 | |
| 196 | W | D | -0.9986 | |
| 197 | G | D | 0.0000 | |
| 198 | D | D | -0.8628 | |
| 199 | H | D | -0.7006 | |
| 200 | C | D | 0.0000 | |
| 201 | S | D | 0.0000 | |
| 202 | T | D | -0.3412 | |
| 203 | L | D | 0.0000 | |
| 204 | K | D | -0.9202 | |
| 205 | R | D | 0.0000 | |
| 206 | L | D | 0.0000 | |
| 207 | V | D | -0.5747 | |
| 208 | K | D | -1.3890 | |
| 209 | K | D | -2.1977 | |
| 210 | P | D | -1.4465 | |
| 211 | G | D | -1.2584 | |
| 212 | Q | D | -1.2089 | |
| 213 | M | D | -0.5151 | |
| 214 | S | D | -0.6674 | |
| 215 | A | D | -0.3108 | |
| 216 | W | D | -0.1836 | |
| 217 | L | D | -0.5458 | |
| 218 | R | D | -1.8467 | |
| 219 | D | D | -2.0536 | |
| 220 | D | D | -2.1051 | |
| 221 | V | D | 0.0000 | |
| 222 | C | D | -1.9667 | |
| 223 | D | D | -2.8112 | |
| 224 | L | D | 0.0000 | |
| 225 | Q | D | -1.9436 | |
| 226 | K | D | -2.9565 | |
| 227 | R | D | -2.7448 | |
| 228 | P | D | -2.2116 | |
| 229 | P | D | -1.8961 | |
| 230 | E | D | -2.2842 | |
| 231 | T | D | -1.0920 | |
| 232 | F | D | -0.5697 | |
| 233 | S | D | -0.8454 | |
| 234 | Q | D | -0.8699 | |
| 235 | P | D | -0.7745 | |
| 236 | M | D | 0.0000 | |
| 237 | H | D | 0.0000 | |
| 238 | R | D | -1.3742 | |
| 239 | A | D | 0.0000 | |
| 240 | M | D | 0.0000 | |
| 241 | A | D | 0.0000 | |
| 242 | Y | D | 0.0000 | |
| 243 | V | D | 0.0000 | |
| 244 | C | D | 0.0000 | |
| 245 | S | D | -1.0796 | |
| 246 | F | D | 0.0000 | |
| 247 | S | D | 0.0000 | |
| 248 | R | D | -1.1611 | |
| 249 | V | D | 0.0000 | |
| 250 | A | D | 0.0000 | |
| 251 | V | D | -1.0780 | |
| 252 | S | D | -1.7767 | |
| 253 | L | D | 0.0000 | |
| 254 | R | D | -1.5150 | |
| 255 | R | D | -2.2431 | |
| 256 | R | D | -2.2886 | |
| 257 | A | D | 0.0000 | |
| 258 | L | D | 0.3652 | |
| 259 | Q | D | -0.8812 | |
| 260 | V | D | 0.2265 | |
| 261 | T | D | -0.2451 | |
| 262 | G | D | -0.4267 | |
| 263 | T | D | -0.1128 | |
| 264 | P | D | 0.0000 | |
| 265 | Q | D | -1.5452 | |
| 266 | F | D | 0.0000 | |
| 267 | F | D | 0.0000 | |
| 268 | D | D | -2.3660 | |
| 269 | Q | D | -2.8770 | |
| 270 | F | D | 0.0000 | |
| 271 | D | D | -3.0497 | |
| 272 | T | D | 0.0000 | |
| 273 | N | D | -2.9212 | |
| 274 | N | D | -2.5354 | |
| 275 | A | D | 0.0000 | |
| 276 | M | D | 0.0000 | |
| 277 | G | D | -1.5241 | |
| 278 | T | D | -1.7177 | |
| 279 | Y | D | 0.0000 | |
| 280 | R | D | -2.3297 | |
| 281 | C | D | 0.0000 | |
| 282 | G | D | 0.0000 | |
| 283 | A | D | -1.3407 | |
| 284 | V | D | 0.0000 | |
| 285 | S | D | 0.0000 | |
| 286 | D | D | -1.5744 | |
| 287 | L | D | -0.7180 | |
| 288 | I | D | 0.0000 | |
| 289 | L | D | 0.0000 | |
| 290 | G | D | -0.5644 | |
| 291 | K | D | 0.0000 | |
| 292 | L | D | 0.0000 | |
| 293 | Q | D | -1.1640 | |
| 294 | C | D | -0.4704 | |
| 295 | H | D | -1.3617 | |
| 296 | E | D | -1.9772 | |
| 297 | C | D | -1.6509 | |
| 298 | Q | D | -2.2292 | |
| 299 | N | D | -2.0851 | |
| 300 | E | D | -2.2597 | |
| 301 | M | D | 0.0000 | |
| 302 | C | D | 0.0000 | |
| 303 | E | D | -1.8640 | |
| 304 | L | D | 0.0000 | |
| 305 | R | D | 0.0000 | |
| 306 | I | D | -0.6215 | |
| 307 | Q | D | -1.0730 | |
| 308 | R | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | L | D | 0.0202 | |
| 311 | A | D | -0.0476 | |
| 312 | P | D | 0.0000 | |
| 313 | Y | D | 0.0000 | |
| 314 | R | D | -0.3394 | |
| 315 | F | D | 0.0000 | |
| 316 | M | D | 0.0000 | |
| 317 | I | D | 0.0000 | |
| 318 | A | D | 0.0000 | |
| 319 | Y | D | 0.0000 | |
| 320 | C | D | 0.0000 | |
| 321 | P | D | 0.0000 | |
| 322 | F | D | -0.0952 | |
| 323 | D | D | -1.4235 | |
| 324 | E | D | -1.9974 | |
| 325 | Q | D | 0.0000 | |
| 326 | S | D | -1.0361 | |
| 327 | L | D | -0.7470 | |
| 328 | L | D | 0.0000 | |
| 329 | D | D | -0.8689 | |
| 330 | L | D | 0.0000 | |
| 331 | T | D | -0.3983 | |
| 332 | V | D | -0.1121 | |
| 333 | F | D | 0.0000 | |
| 334 | A | D | -0.4383 | |
| 335 | G | D | -0.4035 | |
| 336 | T | D | 0.0000 | |
| 337 | T | D | -0.2393 | |
| 338 | T | D | -0.2517 | |
| 339 | T | D | -0.5501 | |
| 340 | A | D | -0.0579 |
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, -0.5952 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_1 | -0.5952 | View | CSV | PDB |
| model_6 | -0.5973 | View | CSV | PDB |
| model_2 | -0.6067 | View | CSV | PDB |
| model_3 | -0.6299 | View | CSV | PDB |
| model_0 | -0.6362 | View | CSV | PDB |
| model_8 | -0.6415 | View | CSV | PDB |
| model_5 | -0.6452 | View | CSV | PDB |
| CABS_average | -0.6453 | View | CSV | PDB |
| model_4 | -0.6455 | View | CSV | PDB |
| model_11 | -0.6546 | View | CSV | PDB |
| model_10 | -0.6765 | View | CSV | PDB |
| model_7 | -0.6993 | View | CSV | PDB |
| model_9 | -0.7154 | View | CSV | PDB |
| input | -0.7742 | 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