Project name: ffb9a17043231f2
Status: done
Started: 2026-03-13 14:43:24
| Chain sequence(s) |
A: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE
C: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE B: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE E: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE D: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE F: MAISMTGFGRGEYKDDNYYFLVECKTINHKYSDINIRLPRKISFLEDKVRNLVKNYVKRGRVDLYIKFDLLGKEDVNLNFDEGLASQYIDILKEIKNKFDIIDDISVMNVAKFPDIVKIEEKEEDEDLLWSMLNQAVEDALIKLREMRSEEGKKLAEDIAMRCDLLKNHIEEIEKYSSSVVEDYREKLNLRISELLDDPSIIDENRLAQEVAIYADKSSITEEIVRFKSHIGQLKNTIFKDDSIGRKIDFLIQEMNRETNTIGSKSSDINITNLVVEVKSELEKIREQIQNIE input PDB |
| Selected Chain(s) | A,B,C,D,E,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | Used: no changes made |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB: Running AlphaCutter (00:00:02)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:35)
[INFO] FoldX: Starting FoldX energy minimization (00:00:35)
[INFO] CABS: Running CABS flex simulation (01:42:13)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (12:05:54)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (12:06:43)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (12:07:31)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (12:08:21)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (12:09:10)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (12:10:00)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (12:10:49)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (12:11:38)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (12:12:27)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (12:13:17)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (12:14:06)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (12:14:55)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (12:15:44)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (12:17:20)
[INFO] Main: Simulation completed successfully. (12:18:07)
|
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
- -5.6053
- Maximal score value
- 1.8416
- Average score
- -1.0037
- Total score value
- -1764.5501
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 | M | A | -0.2370 | |
| 2 | A | A | 0.0000 | |
| 3 | I | A | -0.1852 | |
| 4 | S | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | T | A | -0.1528 | |
| 7 | G | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | R | A | -0.8467 | |
| 11 | G | A | -0.8718 | |
| 12 | E | A | -1.2427 | |
| 13 | Y | A | -0.5725 | |
| 14 | K | A | -2.3988 | |
| 15 | D | A | -3.0541 | |
| 16 | D | A | -3.2244 | |
| 17 | N | A | -2.2162 | |
| 18 | Y | A | -1.3226 | |
| 19 | Y | A | 0.0000 | |
| 20 | F | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | E | A | 0.0000 | |
| 24 | C | A | 0.0000 | |
| 25 | K | A | -0.5063 | |
| 26 | T | A | 0.0000 | |
| 27 | I | A | -0.2561 | |
| 28 | N | A | 0.0000 | |
| 29 | H | A | -2.0662 | |
| 30 | K | A | -2.2278 | |
| 31 | Y | A | -1.3342 | |
| 32 | S | A | -1.4506 | |
| 33 | D | A | -1.3164 | |
| 34 | I | A | -0.9953 | |
| 35 | N | A | -1.2436 | |
| 36 | I | A | -0.6902 | |
| 37 | R | A | -1.3129 | |
| 38 | L | A | -0.7004 | |
| 39 | P | A | -1.1365 | |
| 40 | R | A | -2.2419 | |
| 41 | K | A | -1.3410 | |
| 42 | I | A | 0.0000 | |
| 43 | S | A | 0.0748 | |
| 44 | F | A | 1.1927 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5279 | |
| 47 | D | A | -0.9863 | |
| 48 | K | A | -1.5111 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -1.8357 | |
| 51 | N | A | -2.2290 | |
| 52 | L | A | -1.6526 | |
| 53 | V | A | -1.7458 | |
| 54 | K | A | -2.7122 | |
| 55 | N | A | -2.3083 | |
| 56 | Y | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | K | A | -1.6319 | |
| 59 | R | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | R | A | -1.8854 | |
| 62 | V | A | 0.0000 | |
| 63 | D | A | -1.1390 | |
| 64 | L | A | 0.0000 | |
| 65 | Y | A | -0.4098 | |
| 66 | I | A | 0.0000 | |
| 67 | K | A | -0.4085 | |
| 68 | F | A | 0.0515 | |
| 69 | D | A | -0.9630 | |
| 70 | L | A | -0.7301 | |
| 71 | L | A | -0.5143 | |
| 72 | G | A | 0.0000 | |
| 73 | K | A | -2.4315 | |
| 74 | E | A | -2.3455 | |
| 75 | D | A | -2.4894 | |
| 76 | V | A | -1.2703 | |
| 77 | N | A | -1.1672 | |
| 78 | L | A | -0.2360 | |
| 79 | N | A | -0.9228 | |
| 80 | F | A | -1.2742 | |
| 81 | D | A | -2.2393 | |
| 82 | E | A | -2.7878 | |
| 83 | G | A | -1.6903 | |
| 84 | L | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | S | A | -1.6905 | |
| 87 | Q | A | -1.6229 | |
| 88 | Y | A | 0.0000 | |
| 89 | I | A | -1.8518 | |
| 90 | D | A | -2.7160 | |
| 91 | I | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -3.4004 | |
| 94 | E | A | -2.9543 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -2.7087 | |
| 97 | N | A | -2.8412 | |
| 98 | K | A | -2.5661 | |
| 99 | F | A | -1.8657 | |
| 100 | D | A | -2.2383 | |
| 101 | I | A | -0.3270 | |
| 102 | I | A | 0.0000 | |
| 103 | D | A | -1.4707 | |
| 104 | D | A | -0.9724 | |
| 105 | I | A | 0.0000 | |
| 106 | S | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | M | A | 0.0000 | |
| 109 | N | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -1.2559 | |
| 113 | F | A | 0.0000 | |
| 114 | P | A | -1.0802 | |
| 115 | D | A | -2.3231 | |
| 116 | I | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | K | A | 0.0000 | |
| 119 | I | A | -0.0455 | |
| 120 | E | A | -0.6141 | |
| 121 | E | A | -1.3720 | |
| 122 | K | A | 0.0000 | |
| 123 | E | A | -2.1898 | |
| 124 | E | A | -2.5518 | |
| 125 | D | A | -1.8928 | |
| 126 | E | A | -1.7043 | |
| 127 | D | A | -1.4918 | |
| 128 | L | A | -0.2136 | |
| 129 | L | A | 0.0000 | |
| 130 | W | A | 0.2045 | |
| 131 | S | A | -0.3595 | |
| 132 | M | A | -0.1123 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | -1.1034 | |
| 135 | Q | A | -1.9166 | |
| 136 | A | A | -1.1756 | |
| 137 | V | A | 0.0000 | |
| 138 | E | A | -1.8799 | |
| 139 | D | A | -1.4855 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | -0.5832 | |
| 142 | I | A | 0.1076 | |
| 143 | K | A | -1.1352 | |
| 144 | L | A | 0.0000 | |
| 145 | R | A | -1.3088 | |
| 146 | E | A | -2.2649 | |
| 147 | M | A | -1.5041 | |
| 148 | R | A | 0.0000 | |
| 149 | S | A | -2.3882 | |
| 150 | E | A | -3.2459 | |
| 151 | E | A | -2.5745 | |
| 152 | G | A | 0.0000 | |
| 153 | K | A | -3.2603 | |
| 154 | K | A | -3.3983 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | -2.1567 | |
| 157 | E | A | -2.6321 | |
| 158 | D | A | -1.5903 | |
| 159 | I | A | 0.0000 | |
| 160 | A | A | -1.0678 | |
| 161 | M | A | -0.3262 | |
| 162 | R | A | -0.9346 | |
| 163 | C | A | 0.0000 | |
| 164 | D | A | -1.9717 | |
| 165 | L | A | -0.7400 | |
| 166 | L | A | 0.0000 | |
| 167 | K | A | -2.0021 | |
| 168 | N | A | -2.4555 | |
| 169 | H | A | -2.1991 | |
| 170 | I | A | 0.0000 | |
| 171 | E | A | -2.6634 | |
| 172 | E | A | -3.3114 | |
| 173 | I | A | 0.0000 | |
| 174 | E | A | -2.6684 | |
| 175 | K | A | -2.6125 | |
| 176 | Y | A | -0.8633 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | -0.8611 | |
| 179 | S | A | -1.0302 | |
| 180 | V | A | -1.1389 | |
| 181 | V | A | -1.2662 | |
| 182 | E | A | -2.9222 | |
| 183 | D | A | -2.9072 | |
| 184 | Y | A | 0.0000 | |
| 185 | R | A | -3.5933 | |
| 186 | E | A | -3.5322 | |
| 187 | K | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | N | A | -1.9575 | |
| 190 | L | A | -0.1037 | |
| 191 | R | A | -0.7519 | |
| 192 | I | A | 0.0000 | |
| 193 | S | A | -0.7601 | |
| 194 | E | A | -1.1707 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -2.2615 | |
| 197 | D | A | -2.6268 | |
| 198 | D | A | -2.7679 | |
| 199 | P | A | -2.1069 | |
| 200 | S | A | -1.8807 | |
| 201 | I | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | D | A | -3.4505 | |
| 204 | E | A | -3.4475 | |
| 205 | N | A | -2.9949 | |
| 206 | R | A | -2.3522 | |
| 207 | L | A | -2.0079 | |
| 208 | A | A | -1.7231 | |
| 209 | Q | A | 0.0000 | |
| 210 | E | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | Y | A | -0.2067 | |
| 215 | A | A | 0.0000 | |
| 216 | D | A | 0.0000 | |
| 217 | K | A | -0.7604 | |
| 218 | S | A | -0.5246 | |
| 219 | S | A | -0.5503 | |
| 220 | I | A | 0.0000 | |
| 221 | T | A | -0.6138 | |
| 222 | E | A | -0.6790 | |
| 223 | E | A | -0.4323 | |
| 224 | I | A | 0.0000 | |
| 225 | V | A | 0.2223 | |
| 226 | R | A | -0.2918 | |
| 227 | F | A | 0.0000 | |
| 228 | K | A | -0.8132 | |
| 229 | S | A | -0.5261 | |
| 230 | H | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | G | A | -1.7409 | |
| 233 | Q | A | -1.5436 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -2.2394 | |
| 236 | N | A | -2.0693 | |
| 237 | T | A | 0.0000 | |
| 238 | I | A | -0.0293 | |
| 239 | F | A | 0.1794 | |
| 240 | K | A | -1.4515 | |
| 241 | D | A | -1.1462 | |
| 242 | D | A | -1.0997 | |
| 243 | S | A | 0.0000 | |
| 244 | I | A | 0.0949 | |
| 245 | G | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | K | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | D | A | -1.0433 | |
| 250 | F | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | Q | A | -1.1548 | |
| 254 | E | A | 0.0000 | |
| 255 | M | A | 0.0000 | |
| 256 | N | A | -0.8713 | |
| 257 | R | A | -0.9443 | |
| 258 | E | A | -0.8633 | |
| 259 | T | A | 0.0000 | |
| 260 | N | A | -0.9967 | |
| 261 | T | A | -0.6912 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | S | A | -0.6034 | |
| 265 | K | A | -0.4321 | |
| 266 | S | A | 0.0000 | |
| 267 | S | A | -0.4843 | |
| 268 | D | A | -0.5105 | |
| 269 | I | A | -0.4442 | |
| 270 | N | A | -1.0237 | |
| 271 | I | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | N | A | -0.7356 | |
| 274 | L | A | -0.8144 | |
| 275 | V | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | E | A | -0.6303 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -0.8651 | |
| 280 | S | A | 0.0000 | |
| 281 | E | A | -0.7423 | |
| 282 | L | A | 0.0000 | |
| 283 | E | A | -1.0936 | |
| 284 | K | A | -1.2387 | |
| 285 | I | A | 0.0000 | |
| 286 | R | A | -1.5875 | |
| 287 | E | A | 0.0000 | |
| 288 | Q | A | -1.2448 | |
| 289 | I | A | 0.0000 | |
| 290 | Q | A | -1.3081 | |
| 291 | N | A | -0.7410 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -0.5968 | |
| 1 | M | B | -1.3886 | |
| 2 | A | B | 0.0000 | |
| 3 | I | B | -1.5084 | |
| 4 | S | B | 0.0000 | |
| 5 | M | B | 0.0000 | |
| 6 | T | B | -0.1472 | |
| 7 | G | B | -0.8596 | |
| 8 | F | B | -0.4898 | |
| 9 | G | B | 0.0000 | |
| 10 | R | B | -1.2484 | |
| 11 | G | B | -1.6543 | |
| 12 | E | B | -2.1776 | |
| 13 | Y | B | -1.2941 | |
| 14 | K | B | -2.4752 | |
| 15 | D | B | -2.4474 | |
| 16 | D | B | -2.5933 | |
| 17 | N | B | -2.2144 | |
| 18 | Y | B | -0.8982 | |
| 19 | Y | B | -0.8464 | |
| 20 | F | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | V | B | 0.0000 | |
| 23 | E | B | -0.6435 | |
| 24 | C | B | 0.0000 | |
| 25 | K | B | -0.2668 | |
| 26 | T | B | 0.0000 | |
| 27 | I | B | -0.4304 | |
| 28 | N | B | 0.0000 | |
| 29 | H | B | -1.5393 | |
| 30 | K | B | -2.0269 | |
| 31 | Y | B | -0.2803 | |
| 32 | S | B | -1.1988 | |
| 33 | D | B | -1.6773 | |
| 34 | I | B | -1.5870 | |
| 35 | N | B | -1.0021 | |
| 36 | I | B | -0.8397 | |
| 37 | R | B | -1.3462 | |
| 38 | L | B | -1.0286 | |
| 39 | P | B | -1.1362 | |
| 40 | R | B | -2.1406 | |
| 41 | K | B | -2.1230 | |
| 42 | I | B | 0.0000 | |
| 43 | S | B | -0.9338 | |
| 44 | F | B | -0.2979 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.7259 | |
| 47 | D | B | -1.7880 | |
| 48 | K | B | -1.4090 | |
| 49 | V | B | 0.0000 | |
| 50 | R | B | -2.2545 | |
| 51 | N | B | -2.1006 | |
| 52 | L | B | -1.4753 | |
| 53 | V | B | 0.0000 | |
| 54 | K | B | -3.0199 | |
| 55 | N | B | -2.3293 | |
| 56 | Y | B | -1.0193 | |
| 57 | V | B | -2.2414 | |
| 58 | K | B | -3.0740 | |
| 59 | R | B | -3.4424 | |
| 60 | G | B | -2.1951 | |
| 61 | R | B | -1.6313 | |
| 62 | V | B | 0.0000 | |
| 63 | D | B | 0.0000 | |
| 64 | L | B | 0.0000 | |
| 65 | Y | B | -0.4815 | |
| 66 | I | B | 0.0000 | |
| 67 | K | B | -1.1387 | |
| 68 | F | B | -0.5815 | |
| 69 | D | B | 0.0000 | |
| 70 | L | B | -0.6704 | |
| 71 | L | B | 0.3202 | |
| 72 | G | B | -0.2939 | |
| 73 | K | B | 0.0000 | |
| 74 | E | B | -1.7141 | |
| 75 | D | B | -2.5513 | |
| 76 | V | B | 0.0000 | |
| 77 | N | B | -1.7080 | |
| 78 | L | B | -0.8648 | |
| 79 | N | B | -1.4616 | |
| 80 | F | B | -1.0983 | |
| 81 | D | B | -1.6016 | |
| 82 | E | B | -2.2550 | |
| 83 | G | B | -1.5115 | |
| 84 | L | B | 0.0000 | |
| 85 | A | B | 0.0000 | |
| 86 | S | B | -1.2980 | |
| 87 | Q | B | -1.5740 | |
| 88 | Y | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | D | B | -2.8496 | |
| 91 | I | B | -2.1463 | |
| 92 | L | B | 0.0000 | |
| 93 | K | B | -3.8774 | |
| 94 | E | B | -4.0477 | |
| 95 | I | B | 0.0000 | |
| 96 | K | B | -3.0204 | |
| 97 | N | B | -3.5422 | |
| 98 | K | B | -3.4727 | |
| 99 | F | B | 0.0000 | |
| 100 | D | B | -2.8821 | |
| 101 | I | B | -1.0671 | |
| 102 | I | B | 0.0000 | |
| 103 | D | B | -0.9676 | |
| 104 | D | B | -0.9706 | |
| 105 | I | B | 0.0000 | |
| 106 | S | B | -0.6980 | |
| 107 | V | B | 0.0000 | |
| 108 | M | B | -0.5419 | |
| 109 | N | B | -0.8819 | |
| 110 | V | B | 0.0000 | |
| 111 | A | B | 0.0000 | |
| 112 | K | B | -1.0709 | |
| 113 | F | B | 0.0000 | |
| 114 | P | B | -0.7411 | |
| 115 | D | B | -1.3433 | |
| 116 | I | B | 0.0000 | |
| 117 | V | B | -1.1101 | |
| 118 | K | B | -1.4317 | |
| 119 | I | B | -0.0156 | |
| 120 | E | B | -2.1734 | |
| 121 | E | B | -3.4630 | |
| 122 | K | B | -3.6891 | |
| 123 | E | B | -3.3889 | |
| 124 | E | B | -2.8416 | |
| 125 | D | B | -0.8932 | |
| 126 | E | B | 0.0000 | |
| 127 | D | B | 0.5955 | |
| 128 | L | B | 1.8416 | |
| 129 | L | B | 1.8155 | |
| 130 | W | B | 1.0023 | |
| 131 | S | B | 0.8721 | |
| 132 | M | B | 1.2727 | |
| 133 | L | B | 0.0000 | |
| 134 | N | B | -0.2998 | |
| 135 | Q | B | -1.0379 | |
| 136 | A | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | E | B | -0.9676 | |
| 139 | D | B | -1.6721 | |
| 140 | A | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | I | B | -0.7940 | |
| 143 | K | B | -1.8866 | |
| 144 | L | B | 0.0000 | |
| 145 | R | B | -3.0773 | |
| 146 | E | B | -3.2485 | |
| 147 | M | B | -2.3545 | |
| 148 | R | B | -2.7169 | |
| 149 | S | B | -3.0176 | |
| 150 | E | B | -3.5650 | |
| 151 | E | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | K | B | -3.4883 | |
| 154 | K | B | -3.3232 | |
| 155 | L | B | 0.0000 | |
| 156 | A | B | 0.0000 | |
| 157 | E | B | -2.3648 | |
| 158 | D | B | -1.5427 | |
| 159 | I | B | 0.0000 | |
| 160 | A | B | -0.5614 | |
| 161 | M | B | 0.2188 | |
| 162 | R | B | -0.5059 | |
| 163 | C | B | 0.0000 | |
| 164 | D | B | -0.8187 | |
| 165 | L | B | -0.2641 | |
| 166 | L | B | 0.0000 | |
| 167 | K | B | -1.9814 | |
| 168 | N | B | -2.1850 | |
| 169 | H | B | -1.7743 | |
| 170 | I | B | 0.0000 | |
| 171 | E | B | -2.8030 | |
| 172 | E | B | -2.7024 | |
| 173 | I | B | 0.0000 | |
| 174 | E | B | -2.4940 | |
| 175 | K | B | -2.5412 | |
| 176 | Y | B | -1.2888 | |
| 177 | S | B | 0.0000 | |
| 178 | S | B | -1.1187 | |
| 179 | S | B | -1.3056 | |
| 180 | V | B | -1.3709 | |
| 181 | V | B | -1.1959 | |
| 182 | E | B | -3.2170 | |
| 183 | D | B | -3.2580 | |
| 184 | Y | B | -2.2629 | |
| 185 | R | B | -3.3103 | |
| 186 | E | B | -3.6187 | |
| 187 | K | B | -2.6214 | |
| 188 | L | B | -1.4989 | |
| 189 | N | B | -1.5205 | |
| 190 | L | B | -0.1839 | |
| 191 | R | B | -1.0248 | |
| 192 | I | B | 0.0000 | |
| 193 | S | B | -1.5131 | |
| 194 | E | B | -2.0998 | |
| 195 | L | B | -0.9407 | |
| 196 | L | B | -1.4387 | |
| 197 | D | B | -2.9007 | |
| 198 | D | B | -2.5247 | |
| 199 | P | B | -1.7054 | |
| 200 | S | B | -1.4921 | |
| 201 | I | B | -1.4094 | |
| 202 | I | B | 0.0000 | |
| 203 | D | B | -2.4006 | |
| 204 | E | B | -3.0658 | |
| 205 | N | B | -2.9799 | |
| 206 | R | B | -2.6260 | |
| 207 | L | B | 0.0000 | |
| 208 | A | B | -1.3645 | |
| 209 | Q | B | -1.2744 | |
| 210 | E | B | -0.7856 | |
| 211 | V | B | 0.0000 | |
| 212 | A | B | -0.2328 | |
| 213 | I | B | 0.3333 | |
| 214 | Y | B | -0.2292 | |
| 215 | A | B | -0.9504 | |
| 216 | D | B | -2.1045 | |
| 217 | K | B | -2.0381 | |
| 218 | S | B | -1.2901 | |
| 219 | S | B | -1.4249 | |
| 220 | I | B | -0.7770 | |
| 221 | T | B | -1.1163 | |
| 222 | E | B | -1.6852 | |
| 223 | E | B | -1.1684 | |
| 224 | I | B | 0.0000 | |
| 225 | V | B | -0.2155 | |
| 226 | R | B | -1.5878 | |
| 227 | F | B | 0.0000 | |
| 228 | K | B | -1.3828 | |
| 229 | S | B | -1.3069 | |
| 230 | H | B | -1.5723 | |
| 231 | I | B | 0.0000 | |
| 232 | G | B | -2.3202 | |
| 233 | Q | B | -2.3073 | |
| 234 | L | B | 0.0000 | |
| 235 | K | B | -2.3997 | |
| 236 | N | B | -2.5012 | |
| 237 | T | B | -1.8480 | |
| 238 | I | B | -0.9593 | |
| 239 | F | B | -0.2654 | |
| 240 | K | B | -2.0926 | |
| 241 | D | B | -2.0406 | |
| 242 | D | B | -2.0254 | |
| 243 | S | B | -1.9467 | |
| 244 | I | B | 0.0000 | |
| 245 | G | B | -2.1287 | |
| 246 | R | B | -2.6811 | |
| 247 | K | B | -1.5446 | |
| 248 | I | B | 0.0000 | |
| 249 | D | B | -1.2614 | |
| 250 | F | B | 0.4319 | |
| 251 | L | B | 0.0000 | |
| 252 | I | B | 0.0000 | |
| 253 | Q | B | -1.3770 | |
| 254 | E | B | -1.4556 | |
| 255 | M | B | 0.0000 | |
| 256 | N | B | -1.6334 | |
| 257 | R | B | -2.5320 | |
| 258 | E | B | 0.0000 | |
| 259 | T | B | 0.0000 | |
| 260 | N | B | -1.3320 | |
| 261 | T | B | -0.8673 | |
| 262 | I | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | S | B | -0.6136 | |
| 265 | K | B | -0.8292 | |
| 266 | S | B | -0.4945 | |
| 267 | S | B | 0.0000 | |
| 268 | D | B | -0.8687 | |
| 269 | I | B | 0.0000 | |
| 270 | N | B | -1.4308 | |
| 271 | I | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | N | B | -0.7096 | |
| 274 | L | B | -0.6772 | |
| 275 | V | B | 0.0000 | |
| 276 | V | B | 0.0000 | |
| 277 | E | B | -0.4851 | |
| 278 | V | B | 0.0000 | |
| 279 | K | B | -0.9520 | |
| 280 | S | B | 0.0000 | |
| 281 | E | B | 0.0000 | |
| 282 | L | B | 0.0000 | |
| 283 | E | B | -1.1166 | |
| 284 | K | B | -1.0151 | |
| 285 | I | B | 0.0000 | |
| 286 | R | B | -1.1203 | |
| 287 | E | B | -1.0280 | |
| 288 | Q | B | 0.0000 | |
| 289 | I | B | 0.0000 | |
| 290 | Q | B | -1.8673 | |
| 291 | N | B | -1.1794 | |
| 292 | I | B | 0.0000 | |
| 293 | E | B | -2.8661 | |
| 1 | M | C | -0.5856 | |
| 2 | A | C | -1.1594 | |
| 3 | I | C | -0.6452 | |
| 4 | S | C | 0.0000 | |
| 5 | M | C | 0.3996 | |
| 6 | T | C | 0.1997 | |
| 7 | G | C | 0.0000 | |
| 8 | F | C | -0.5172 | |
| 9 | G | C | 0.0000 | |
| 10 | R | C | -2.6016 | |
| 11 | G | C | 0.0000 | |
| 12 | E | C | -2.4273 | |
| 13 | Y | C | -1.7711 | |
| 14 | K | C | -2.8327 | |
| 15 | D | C | -3.2295 | |
| 16 | D | C | -2.9950 | |
| 17 | N | C | -2.4263 | |
| 18 | Y | C | 0.0000 | |
| 19 | Y | C | -1.5161 | |
| 20 | F | C | 0.0000 | |
| 21 | L | C | -0.9870 | |
| 22 | V | C | 0.0000 | |
| 23 | E | C | -1.4859 | |
| 24 | C | C | 0.0000 | |
| 25 | K | C | -1.3226 | |
| 26 | T | C | 0.0000 | |
| 27 | I | C | 0.3979 | |
| 28 | N | C | 0.0000 | |
| 29 | H | C | -0.8421 | |
| 30 | K | C | -1.1627 | |
| 31 | Y | C | -0.9156 | |
| 32 | S | C | 0.0000 | |
| 33 | D | C | -2.0197 | |
| 34 | I | C | 0.0000 | |
| 35 | N | C | -1.9227 | |
| 36 | I | C | 0.0000 | |
| 37 | R | C | -0.8467 | |
| 38 | L | C | -0.0576 | |
| 39 | P | C | -0.4661 | |
| 40 | R | C | 0.0000 | |
| 41 | K | C | -0.3935 | |
| 42 | I | C | 0.0000 | |
| 43 | S | C | -0.2592 | |
| 44 | F | C | 0.2460 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | 0.0000 | |
| 47 | D | C | 0.0000 | |
| 48 | K | C | -1.6985 | |
| 49 | V | C | 0.0000 | |
| 50 | R | C | -1.4700 | |
| 51 | N | C | -1.4423 | |
| 52 | L | C | -0.9436 | |
| 53 | V | C | 0.0000 | |
| 54 | K | C | -1.6357 | |
| 55 | N | C | -1.3642 | |
| 56 | Y | C | -0.2576 | |
| 57 | V | C | -1.2482 | |
| 58 | K | C | -2.2299 | |
| 59 | R | C | -1.2766 | |
| 60 | G | C | 0.0000 | |
| 61 | R | C | -1.4737 | |
| 62 | V | C | 0.0000 | |
| 63 | D | C | -1.6819 | |
| 64 | L | C | 0.0000 | |
| 65 | Y | C | 0.0000 | |
| 66 | I | C | 0.0000 | |
| 67 | K | C | 0.0000 | |
| 68 | F | C | 0.0000 | |
| 69 | D | C | 0.0000 | |
| 70 | L | C | -0.0703 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.4488 | |
| 73 | K | C | -2.0167 | |
| 74 | E | C | -1.7628 | |
| 75 | D | C | -1.6662 | |
| 76 | V | C | 0.0000 | |
| 77 | N | C | -1.9185 | |
| 78 | L | C | -1.2021 | |
| 79 | N | C | -1.2087 | |
| 80 | F | C | -0.8956 | |
| 81 | D | C | -1.5631 | |
| 82 | E | C | -1.7147 | |
| 83 | G | C | -1.2482 | |
| 84 | L | C | 0.0000 | |
| 85 | A | C | 0.0000 | |
| 86 | S | C | -1.3473 | |
| 87 | Q | C | -1.3102 | |
| 88 | Y | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | D | C | -2.2104 | |
| 91 | I | C | 0.0000 | |
| 92 | L | C | 0.0000 | |
| 93 | K | C | -3.3233 | |
| 94 | E | C | -3.9660 | |
| 95 | I | C | 0.0000 | |
| 96 | K | C | -2.6609 | |
| 97 | N | C | -3.3487 | |
| 98 | K | C | -3.3962 | |
| 99 | F | C | -2.2882 | |
| 100 | D | C | -2.0307 | |
| 101 | I | C | -0.6042 | |
| 102 | I | C | -0.2862 | |
| 103 | D | C | -1.1154 | |
| 104 | D | C | -1.0614 | |
| 105 | I | C | 0.0000 | |
| 106 | S | C | -0.7811 | |
| 107 | V | C | 0.0000 | |
| 108 | M | C | 0.0000 | |
| 109 | N | C | -0.5806 | |
| 110 | V | C | 0.0000 | |
| 111 | A | C | 0.0000 | |
| 112 | K | C | -0.6560 | |
| 113 | F | C | 0.0000 | |
| 114 | P | C | -0.6370 | |
| 115 | D | C | -0.5810 | |
| 116 | I | C | 0.0000 | |
| 117 | V | C | 0.0000 | |
| 118 | K | C | -1.1385 | |
| 119 | I | C | -1.1891 | |
| 120 | E | C | -2.1848 | |
| 121 | E | C | -2.8594 | |
| 122 | K | C | -2.3561 | |
| 123 | E | C | -1.9922 | |
| 124 | E | C | -1.5979 | |
| 125 | D | C | -1.3351 | |
| 126 | E | C | -1.1114 | |
| 127 | D | C | -0.8206 | |
| 128 | L | C | 0.9076 | |
| 129 | L | C | 0.0000 | |
| 130 | W | C | 0.3281 | |
| 131 | S | C | 0.1426 | |
| 132 | M | C | -0.1120 | |
| 133 | L | C | 0.0000 | |
| 134 | N | C | -0.9434 | |
| 135 | Q | C | -1.4706 | |
| 136 | A | C | 0.0000 | |
| 137 | V | C | 0.0000 | |
| 138 | E | C | -1.2311 | |
| 139 | D | C | -1.6039 | |
| 140 | A | C | 0.0000 | |
| 141 | L | C | 0.0000 | |
| 142 | I | C | -0.6934 | |
| 143 | K | C | -2.6221 | |
| 144 | L | C | 0.0000 | |
| 145 | R | C | -2.8263 | |
| 146 | E | C | -3.3698 | |
| 147 | M | C | -1.9223 | |
| 148 | R | C | -2.1317 | |
| 149 | S | C | -2.8984 | |
| 150 | E | C | -3.5319 | |
| 151 | E | C | -2.7507 | |
| 152 | G | C | 0.0000 | |
| 153 | K | C | -3.3270 | |
| 154 | K | C | -3.3102 | |
| 155 | L | C | -1.8874 | |
| 156 | A | C | -1.5889 | |
| 157 | E | C | -2.0683 | |
| 158 | D | C | -1.8252 | |
| 159 | I | C | 0.0000 | |
| 160 | A | C | -0.9694 | |
| 161 | M | C | -0.2477 | |
| 162 | R | C | -1.0720 | |
| 163 | C | C | 0.0000 | |
| 164 | D | C | -2.2297 | |
| 165 | L | C | -1.0112 | |
| 166 | L | C | 0.0000 | |
| 167 | K | C | -3.0572 | |
| 168 | N | C | -2.8112 | |
| 169 | H | C | -2.2540 | |
| 170 | I | C | 0.0000 | |
| 171 | E | C | -3.0130 | |
| 172 | E | C | -2.6526 | |
| 173 | I | C | 0.0000 | |
| 174 | E | C | -2.8570 | |
| 175 | K | C | -2.6568 | |
| 176 | Y | C | -0.7575 | |
| 177 | S | C | -0.9192 | |
| 178 | S | C | -0.4245 | |
| 179 | S | C | -0.4735 | |
| 180 | V | C | 0.0000 | |
| 181 | V | C | 0.1452 | |
| 182 | E | C | -1.9850 | |
| 183 | D | C | 0.0000 | |
| 184 | Y | C | 0.0000 | |
| 185 | R | C | -2.5539 | |
| 186 | E | C | -2.6397 | |
| 187 | K | C | -1.4346 | |
| 188 | L | C | 0.0000 | |
| 189 | N | C | -1.8864 | |
| 190 | L | C | -0.0659 | |
| 191 | R | C | -0.6441 | |
| 192 | I | C | 0.0000 | |
| 193 | S | C | -1.0337 | |
| 194 | E | C | -1.1741 | |
| 195 | L | C | 0.0000 | |
| 196 | L | C | -1.6689 | |
| 197 | D | C | -2.0354 | |
| 198 | D | C | -1.5767 | |
| 199 | P | C | -1.5520 | |
| 200 | S | C | -1.2957 | |
| 201 | I | C | -0.9487 | |
| 202 | I | C | 0.0000 | |
| 203 | D | C | -2.9703 | |
| 204 | E | C | -2.8246 | |
| 205 | N | C | -2.1891 | |
| 206 | R | C | -2.2134 | |
| 207 | L | C | -0.9756 | |
| 208 | A | C | -0.4148 | |
| 209 | Q | C | 0.0000 | |
| 210 | E | C | -0.7987 | |
| 211 | V | C | 0.0000 | |
| 212 | A | C | 0.0000 | |
| 213 | I | C | 0.5252 | |
| 214 | Y | C | 0.4033 | |
| 215 | A | C | 0.0000 | |
| 216 | D | C | -0.6725 | |
| 217 | K | C | 0.0000 | |
| 218 | S | C | -0.1841 | |
| 219 | S | C | 0.0000 | |
| 220 | I | C | 0.0000 | |
| 221 | T | C | 0.0893 | |
| 222 | E | C | -0.2279 | |
| 223 | E | C | 0.0000 | |
| 224 | I | C | 0.0428 | |
| 225 | V | C | 0.5148 | |
| 226 | R | C | 0.0000 | |
| 227 | F | C | 0.0000 | |
| 228 | K | C | -1.1429 | |
| 229 | S | C | -0.7239 | |
| 230 | H | C | 0.0000 | |
| 231 | I | C | -1.3314 | |
| 232 | G | C | -1.5084 | |
| 233 | Q | C | -1.3627 | |
| 234 | L | C | 0.0000 | |
| 235 | K | C | -2.0571 | |
| 236 | N | C | -1.5400 | |
| 237 | T | C | 0.0000 | |
| 238 | I | C | 0.0000 | |
| 239 | F | C | -0.0104 | |
| 240 | K | C | -1.7850 | |
| 241 | D | C | -1.5407 | |
| 242 | D | C | -1.3878 | |
| 243 | S | C | -1.0104 | |
| 244 | I | C | 0.0000 | |
| 245 | G | C | 0.0000 | |
| 246 | R | C | -1.1258 | |
| 247 | K | C | 0.0000 | |
| 248 | I | C | 0.0000 | |
| 249 | D | C | -2.2970 | |
| 250 | F | C | 0.0000 | |
| 251 | L | C | 0.0000 | |
| 252 | I | C | 0.0000 | |
| 253 | Q | C | -1.6634 | |
| 254 | E | C | 0.0000 | |
| 255 | M | C | 0.0000 | |
| 256 | N | C | -1.6055 | |
| 257 | R | C | -1.9288 | |
| 258 | E | C | 0.0000 | |
| 259 | T | C | 0.0000 | |
| 260 | N | C | -1.6282 | |
| 261 | T | C | -1.0820 | |
| 262 | I | C | 0.0000 | |
| 263 | G | C | -0.4742 | |
| 264 | S | C | -0.8127 | |
| 265 | K | C | -0.7211 | |
| 266 | S | C | 0.0000 | |
| 267 | S | C | -0.3685 | |
| 268 | D | C | 0.2084 | |
| 269 | I | C | 1.3588 | |
| 270 | N | C | 0.3845 | |
| 271 | I | C | 0.0000 | |
| 272 | T | C | -0.0865 | |
| 273 | N | C | -0.4890 | |
| 274 | L | C | -0.4435 | |
| 275 | V | C | 0.0000 | |
| 276 | V | C | 0.4823 | |
| 277 | E | C | -0.4266 | |
| 278 | V | C | 0.0000 | |
| 279 | K | C | -1.2898 | |
| 280 | S | C | -1.1390 | |
| 281 | E | C | -1.5091 | |
| 282 | L | C | 0.0000 | |
| 283 | E | C | -3.0602 | |
| 284 | K | C | -3.0873 | |
| 285 | I | C | 0.0000 | |
| 286 | R | C | -4.2256 | |
| 287 | E | C | -3.9930 | |
| 288 | Q | C | -2.6358 | |
| 289 | I | C | 0.0000 | |
| 290 | Q | C | -2.6811 | |
| 291 | N | C | -1.4027 | |
| 292 | I | C | 0.0000 | |
| 293 | E | C | 0.0000 | |
| 1 | M | D | -0.4687 | |
| 2 | A | D | -1.4727 | |
| 3 | I | D | 0.0000 | |
| 4 | S | D | 0.0000 | |
| 5 | M | D | 0.0000 | |
| 6 | T | D | -0.6117 | |
| 7 | G | D | 0.0000 | |
| 8 | F | D | 0.0000 | |
| 9 | G | D | 0.0000 | |
| 10 | R | D | -1.0430 | |
| 11 | G | D | -1.0257 | |
| 12 | E | D | -1.2130 | |
| 13 | Y | D | -0.6251 | |
| 14 | K | D | -2.7655 | |
| 15 | D | D | -3.2665 | |
| 16 | D | D | -3.0877 | |
| 17 | N | D | -1.8344 | |
| 18 | Y | D | -1.4386 | |
| 19 | Y | D | -1.5159 | |
| 20 | F | D | 0.0000 | |
| 21 | L | D | 0.0000 | |
| 22 | V | D | 0.0000 | |
| 23 | E | D | 0.0000 | |
| 24 | C | D | 0.0000 | |
| 25 | K | D | -0.4004 | |
| 26 | T | D | 0.0000 | |
| 27 | I | D | -0.6178 | |
| 28 | N | D | -1.6045 | |
| 29 | H | D | -1.7919 | |
| 30 | K | D | -1.7830 | |
| 31 | Y | D | -0.4518 | |
| 32 | S | D | -0.7103 | |
| 33 | D | D | -1.1981 | |
| 34 | I | D | -0.7545 | |
| 35 | N | D | -1.3524 | |
| 36 | I | D | -0.7828 | |
| 37 | R | D | -1.3014 | |
| 38 | L | D | 0.0000 | |
| 39 | P | D | -1.6961 | |
| 40 | R | D | -2.7655 | |
| 41 | K | D | -2.4696 | |
| 42 | I | D | -0.9982 | |
| 43 | S | D | 0.0000 | |
| 44 | F | D | -0.1700 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | 0.0000 | |
| 47 | D | D | 0.0000 | |
| 48 | K | D | -1.5866 | |
| 49 | V | D | 0.0000 | |
| 50 | R | D | -1.5539 | |
| 51 | N | D | -2.0705 | |
| 52 | L | D | -1.3059 | |
| 53 | V | D | 0.0000 | |
| 54 | K | D | -1.7315 | |
| 55 | N | D | -1.2274 | |
| 56 | Y | D | 0.2689 | |
| 57 | V | D | 0.0000 | |
| 58 | K | D | 0.0000 | |
| 59 | R | D | -1.2635 | |
| 60 | G | D | -1.1717 | |
| 61 | R | D | -1.3434 | |
| 62 | V | D | 0.0000 | |
| 63 | D | D | 0.0000 | |
| 64 | L | D | 0.0000 | |
| 65 | Y | D | -0.5733 | |
| 66 | I | D | 0.0000 | |
| 67 | K | D | -1.0078 | |
| 68 | F | D | -0.3774 | |
| 69 | D | D | -0.8620 | |
| 70 | L | D | -0.1200 | |
| 71 | L | D | -0.0494 | |
| 72 | G | D | -0.2992 | |
| 73 | K | D | 0.0000 | |
| 74 | E | D | -1.3086 | |
| 75 | D | D | -2.2589 | |
| 76 | V | D | -1.3495 | |
| 77 | N | D | -2.0971 | |
| 78 | L | D | 0.0000 | |
| 79 | N | D | -1.8421 | |
| 80 | F | D | -1.6562 | |
| 81 | D | D | -2.0864 | |
| 82 | E | D | -2.4996 | |
| 83 | G | D | -1.6910 | |
| 84 | L | D | 0.0000 | |
| 85 | A | D | 0.0000 | |
| 86 | S | D | -1.6698 | |
| 87 | Q | D | -2.1041 | |
| 88 | Y | D | 0.0000 | |
| 89 | I | D | 0.0000 | |
| 90 | D | D | -2.0472 | |
| 91 | I | D | 0.0000 | |
| 92 | L | D | 0.0000 | |
| 93 | K | D | -2.3383 | |
| 94 | E | D | -2.4712 | |
| 95 | I | D | 0.0000 | |
| 96 | K | D | -2.6762 | |
| 97 | N | D | -3.0064 | |
| 98 | K | D | -3.1529 | |
| 99 | F | D | 0.0000 | |
| 100 | D | D | -2.7719 | |
| 101 | I | D | -1.8208 | |
| 102 | I | D | -1.5851 | |
| 103 | D | D | -1.5719 | |
| 104 | D | D | 0.0000 | |
| 105 | I | D | 0.0000 | |
| 106 | S | D | 0.0000 | |
| 107 | V | D | 0.0000 | |
| 108 | M | D | 0.0000 | |
| 109 | N | D | -1.0627 | |
| 110 | V | D | 0.0000 | |
| 111 | A | D | 0.0000 | |
| 112 | K | D | -2.2055 | |
| 113 | F | D | 0.0000 | |
| 114 | P | D | -1.6707 | |
| 115 | D | D | -2.6357 | |
| 116 | I | D | 0.0000 | |
| 117 | V | D | 0.0000 | |
| 118 | K | D | -1.8948 | |
| 119 | I | D | -1.3749 | |
| 120 | E | D | -2.8640 | |
| 121 | E | D | -4.6535 | |
| 122 | K | D | -5.6053 | |
| 123 | E | D | -5.3606 | |
| 124 | E | D | -4.9787 | |
| 125 | D | D | -4.9241 | |
| 126 | E | D | -4.2825 | |
| 127 | D | D | -2.9948 | |
| 128 | L | D | -0.7097 | |
| 129 | L | D | -0.5878 | |
| 130 | W | D | -0.3507 | |
| 131 | S | D | -0.0121 | |
| 132 | M | D | 0.5027 | |
| 133 | L | D | 0.0000 | |
| 134 | N | D | -0.7630 | |
| 135 | Q | D | -1.4813 | |
| 136 | A | D | -0.7509 | |
| 137 | V | D | 0.0000 | |
| 138 | E | D | -1.2876 | |
| 139 | D | D | -1.6564 | |
| 140 | A | D | 0.0000 | |
| 141 | L | D | 0.0000 | |
| 142 | I | D | 0.1396 | |
| 143 | K | D | -1.5322 | |
| 144 | L | D | 0.0000 | |
| 145 | R | D | -1.9700 | |
| 146 | E | D | -2.7555 | |
| 147 | M | D | -1.8191 | |
| 148 | R | D | 0.0000 | |
| 149 | S | D | -2.6583 | |
| 150 | E | D | -3.4593 | |
| 151 | E | D | -2.6610 | |
| 152 | G | D | 0.0000 | |
| 153 | K | D | -3.6898 | |
| 154 | K | D | -3.6593 | |
| 155 | L | D | 0.0000 | |
| 156 | A | D | -1.8187 | |
| 157 | E | D | -2.8137 | |
| 158 | D | D | -1.7804 | |
| 159 | I | D | 0.0000 | |
| 160 | A | D | -0.8110 | |
| 161 | M | D | 0.1442 | |
| 162 | R | D | 0.0000 | |
| 163 | C | D | -0.9939 | |
| 164 | D | D | -1.2556 | |
| 165 | L | D | -0.6625 | |
| 166 | L | D | 0.0000 | |
| 167 | K | D | -2.5300 | |
| 168 | N | D | -2.8764 | |
| 169 | H | D | -2.4314 | |
| 170 | I | D | 0.0000 | |
| 171 | E | D | -3.9673 | |
| 172 | E | D | -3.3412 | |
| 173 | I | D | 0.0000 | |
| 174 | E | D | -3.1590 | |
| 175 | K | D | -3.1218 | |
| 176 | Y | D | -1.8563 | |
| 177 | S | D | 0.0000 | |
| 178 | S | D | -1.4725 | |
| 179 | S | D | -1.5378 | |
| 180 | V | D | 0.0000 | |
| 181 | V | D | -1.3051 | |
| 182 | E | D | -2.7517 | |
| 183 | D | D | -2.5427 | |
| 184 | Y | D | 0.0000 | |
| 185 | R | D | -2.1705 | |
| 186 | E | D | -2.7448 | |
| 187 | K | D | -1.6770 | |
| 188 | L | D | 0.0000 | |
| 189 | N | D | -1.0210 | |
| 190 | L | D | 0.3610 | |
| 191 | R | D | -0.4325 | |
| 192 | I | D | 0.0000 | |
| 193 | S | D | -1.1007 | |
| 194 | E | D | -1.4763 | |
| 195 | L | D | 0.0000 | |
| 196 | L | D | -1.8718 | |
| 197 | D | D | -2.8710 | |
| 198 | D | D | -2.8020 | |
| 199 | P | D | -1.5698 | |
| 200 | S | D | -1.2688 | |
| 201 | I | D | -0.4582 | |
| 202 | I | D | 0.0000 | |
| 203 | D | D | -1.7822 | |
| 204 | E | D | -2.7295 | |
| 205 | N | D | -2.3944 | |
| 206 | R | D | -1.3785 | |
| 207 | L | D | -1.3312 | |
| 208 | A | D | -1.1251 | |
| 209 | Q | D | -0.4491 | |
| 210 | E | D | 0.0000 | |
| 211 | V | D | 0.0000 | |
| 212 | A | D | 0.0000 | |
| 213 | I | D | 0.0000 | |
| 214 | Y | D | -0.2136 | |
| 215 | A | D | 0.0000 | |
| 216 | D | D | 0.0000 | |
| 217 | K | D | -0.4011 | |
| 218 | S | D | -0.4109 | |
| 219 | S | D | -0.3912 | |
| 220 | I | D | 0.0000 | |
| 221 | T | D | -0.5084 | |
| 222 | E | D | -0.5024 | |
| 223 | E | D | 0.0000 | |
| 224 | I | D | 0.0000 | |
| 225 | V | D | 0.1198 | |
| 226 | R | D | 0.0000 | |
| 227 | F | D | 0.0000 | |
| 228 | K | D | -1.4620 | |
| 229 | S | D | -0.5985 | |
| 230 | H | D | 0.0000 | |
| 231 | I | D | 0.0000 | |
| 232 | G | D | -1.5283 | |
| 233 | Q | D | -1.2118 | |
| 234 | L | D | 0.0000 | |
| 235 | K | D | -1.4276 | |
| 236 | N | D | -1.6069 | |
| 237 | T | D | 0.0000 | |
| 238 | I | D | 0.0000 | |
| 239 | F | D | 0.1853 | |
| 240 | K | D | -1.8448 | |
| 241 | D | D | -2.9221 | |
| 242 | D | D | -2.9307 | |
| 243 | S | D | -2.3487 | |
| 244 | I | D | 0.0000 | |
| 245 | G | D | 0.0000 | |
| 246 | R | D | -1.9829 | |
| 247 | K | D | 0.0000 | |
| 248 | I | D | 0.0000 | |
| 249 | D | D | -1.6273 | |
| 250 | F | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | I | D | 0.0000 | |
| 253 | Q | D | -1.5423 | |
| 254 | E | D | 0.0000 | |
| 255 | M | D | 0.0000 | |
| 256 | N | D | -1.6806 | |
| 257 | R | D | -2.0929 | |
| 258 | E | D | 0.0000 | |
| 259 | T | D | 0.0000 | |
| 260 | N | D | -1.7723 | |
| 261 | T | D | -1.1507 | |
| 262 | I | D | 0.0000 | |
| 263 | G | D | -1.0867 | |
| 264 | S | D | -0.8471 | |
| 265 | K | D | -0.8790 | |
| 266 | S | D | -0.4612 | |
| 267 | S | D | 0.0000 | |
| 268 | D | D | -0.1986 | |
| 269 | I | D | 0.1270 | |
| 270 | N | D | -0.4009 | |
| 271 | I | D | 0.0000 | |
| 272 | T | D | 0.0000 | |
| 273 | N | D | 0.0000 | |
| 274 | L | D | 0.0000 | |
| 275 | V | D | 0.0000 | |
| 276 | V | D | 0.0000 | |
| 277 | E | D | -0.4473 | |
| 278 | V | D | 0.0000 | |
| 279 | K | D | -0.8298 | |
| 280 | S | D | 0.0000 | |
| 281 | E | D | 0.0000 | |
| 282 | L | D | 0.0000 | |
| 283 | E | D | -1.1878 | |
| 284 | K | D | -0.9753 | |
| 285 | I | D | 0.0000 | |
| 286 | R | D | -1.5944 | |
| 287 | E | D | 0.0000 | |
| 288 | Q | D | -0.9965 | |
| 289 | I | D | 0.0000 | |
| 290 | Q | D | -1.2987 | |
| 291 | N | D | -0.9703 | |
| 292 | I | D | 0.0000 | |
| 293 | E | D | -1.5818 | |
| 1 | M | E | -0.4164 | |
| 2 | A | E | -0.7571 | |
| 3 | I | E | -1.2327 | |
| 4 | S | E | 0.0000 | |
| 5 | M | E | 0.0000 | |
| 6 | T | E | 0.0041 | |
| 7 | G | E | 0.0000 | |
| 8 | F | E | -0.2255 | |
| 9 | G | E | 0.0000 | |
| 10 | R | E | -2.1887 | |
| 11 | G | E | -2.0153 | |
| 12 | E | E | -1.8416 | |
| 13 | Y | E | -1.3222 | |
| 14 | K | E | -2.2750 | |
| 15 | D | E | -2.1448 | |
| 16 | D | E | -2.4993 | |
| 17 | N | E | -2.1918 | |
| 18 | Y | E | 0.0000 | |
| 19 | Y | E | -1.3848 | |
| 20 | F | E | 0.0000 | |
| 21 | L | E | 0.0000 | |
| 22 | V | E | 0.0000 | |
| 23 | E | E | 0.0000 | |
| 24 | C | E | 0.0000 | |
| 25 | K | E | -0.4517 | |
| 26 | T | E | 0.0000 | |
| 27 | I | E | 0.3212 | |
| 28 | N | E | -1.0941 | |
| 29 | H | E | -1.7010 | |
| 30 | K | E | -2.1625 | |
| 31 | Y | E | -0.6644 | |
| 32 | S | E | -0.7908 | |
| 33 | D | E | -0.9493 | |
| 34 | I | E | -0.7237 | |
| 35 | N | E | -1.6881 | |
| 36 | I | E | -1.0200 | |
| 37 | R | E | -1.6524 | |
| 38 | L | E | -0.4800 | |
| 39 | P | E | 0.0000 | |
| 40 | R | E | -0.5911 | |
| 41 | K | E | 0.0000 | |
| 42 | I | E | 1.3733 | |
| 43 | S | E | 0.1591 | |
| 44 | F | E | 0.0000 | |
| 45 | L | E | 0.0000 | |
| 46 | E | E | -0.5144 | |
| 47 | D | E | -0.4679 | |
| 48 | K | E | 0.0000 | |
| 49 | V | E | 0.0000 | |
| 50 | R | E | -1.3348 | |
| 51 | N | E | 0.0000 | |
| 52 | L | E | 0.0000 | |
| 53 | V | E | 0.0000 | |
| 54 | K | E | -1.5321 | |
| 55 | N | E | -1.7118 | |
| 56 | Y | E | 0.0000 | |
| 57 | V | E | -1.1569 | |
| 58 | K | E | -2.0587 | |
| 59 | R | E | -1.1991 | |
| 60 | G | E | 0.0000 | |
| 61 | R | E | -1.0663 | |
| 62 | V | E | 0.0000 | |
| 63 | D | E | -1.1886 | |
| 64 | L | E | 0.0000 | |
| 65 | Y | E | -0.9914 | |
| 66 | I | E | 0.0000 | |
| 67 | K | E | -0.9090 | |
| 68 | F | E | -0.7680 | |
| 69 | D | E | -1.3420 | |
| 70 | L | E | -1.1711 | |
| 71 | L | E | -1.5168 | |
| 72 | G | E | -1.7330 | |
| 73 | K | E | -2.2028 | |
| 74 | E | E | -2.0252 | |
| 75 | D | E | -2.4683 | |
| 76 | V | E | 0.0000 | |
| 77 | N | E | -2.3810 | |
| 78 | L | E | -1.4487 | |
| 79 | N | E | -1.4583 | |
| 80 | F | E | 0.0000 | |
| 81 | D | E | -1.5139 | |
| 82 | E | E | -2.2896 | |
| 83 | G | E | -1.5126 | |
| 84 | L | E | 0.0000 | |
| 85 | A | E | 0.0000 | |
| 86 | S | E | -1.9643 | |
| 87 | Q | E | -2.2100 | |
| 88 | Y | E | 0.0000 | |
| 89 | I | E | 0.0000 | |
| 90 | D | E | -2.5848 | |
| 91 | I | E | -1.7767 | |
| 92 | L | E | 0.0000 | |
| 93 | K | E | -2.9053 | |
| 94 | E | E | -3.3136 | |
| 95 | I | E | 0.0000 | |
| 96 | K | E | -2.8261 | |
| 97 | N | E | -3.3667 | |
| 98 | K | E | -3.2919 | |
| 99 | F | E | -2.5578 | |
| 100 | D | E | -2.8797 | |
| 101 | I | E | -1.3079 | |
| 102 | I | E | 0.0000 | |
| 103 | D | E | -2.4968 | |
| 104 | D | E | -1.6909 | |
| 105 | I | E | 0.0000 | |
| 106 | S | E | 0.0000 | |
| 107 | V | E | 0.0000 | |
| 108 | M | E | 0.0000 | |
| 109 | N | E | -0.4767 | |
| 110 | V | E | 0.0000 | |
| 111 | A | E | 0.0000 | |
| 112 | K | E | -0.5097 | |
| 113 | F | E | 0.0000 | |
| 114 | P | E | -0.5683 | |
| 115 | D | E | -0.8553 | |
| 116 | I | E | 0.0000 | |
| 117 | V | E | -0.6554 | |
| 118 | K | E | -1.2773 | |
| 119 | I | E | -1.3975 | |
| 120 | E | E | -2.5418 | |
| 121 | E | E | -3.5203 | |
| 122 | K | E | -2.9272 | |
| 123 | E | E | -1.8274 | |
| 124 | E | E | 0.0000 | |
| 125 | D | E | -1.9628 | |
| 126 | E | E | 0.0000 | |
| 127 | D | E | -1.3186 | |
| 128 | L | E | -0.4413 | |
| 129 | L | E | 0.0000 | |
| 130 | W | E | 0.0000 | |
| 131 | S | E | -0.4348 | |
| 132 | M | E | 0.0000 | |
| 133 | L | E | 0.0000 | |
| 134 | N | E | -1.1904 | |
| 135 | Q | E | -1.7105 | |
| 136 | A | E | 0.0000 | |
| 137 | V | E | 0.0000 | |
| 138 | E | E | -1.6768 | |
| 139 | D | E | -2.2764 | |
| 140 | A | E | 0.0000 | |
| 141 | L | E | -1.1653 | |
| 142 | I | E | -0.6097 | |
| 143 | K | E | -1.7109 | |
| 144 | L | E | 0.0000 | |
| 145 | R | E | -2.6588 | |
| 146 | E | E | -2.7121 | |
| 147 | M | E | -2.0449 | |
| 148 | R | E | 0.0000 | |
| 149 | S | E | -3.0189 | |
| 150 | E | E | -4.0290 | |
| 151 | E | E | -3.6350 | |
| 152 | G | E | 0.0000 | |
| 153 | K | E | -3.9650 | |
| 154 | K | E | -4.1656 | |
| 155 | L | E | 0.0000 | |
| 156 | A | E | -1.8883 | |
| 157 | E | E | -2.8403 | |
| 158 | D | E | -1.9162 | |
| 159 | I | E | 0.0000 | |
| 160 | A | E | -0.8736 | |
| 161 | M | E | 0.2109 | |
| 162 | R | E | 0.0000 | |
| 163 | C | E | -0.6944 | |
| 164 | D | E | -1.3332 | |
| 165 | L | E | 0.2227 | |
| 166 | L | E | 0.0000 | |
| 167 | K | E | -1.5469 | |
| 168 | N | E | -1.9599 | |
| 169 | H | E | -1.6364 | |
| 170 | I | E | 0.0000 | |
| 171 | E | E | -2.0559 | |
| 172 | E | E | -2.0421 | |
| 173 | I | E | 0.0000 | |
| 174 | E | E | -2.2144 | |
| 175 | K | E | -2.0150 | |
| 176 | Y | E | -0.3281 | |
| 177 | S | E | 0.0000 | |
| 178 | S | E | -0.7926 | |
| 179 | S | E | -1.3858 | |
| 180 | V | E | -1.0673 | |
| 181 | V | E | -1.7914 | |
| 182 | E | E | -3.5575 | |
| 183 | D | E | -3.9950 | |
| 184 | Y | E | -2.9712 | |
| 185 | R | E | -4.0741 | |
| 186 | E | E | -4.1278 | |
| 187 | K | E | -3.2853 | |
| 188 | L | E | 0.0000 | |
| 189 | N | E | -1.2233 | |
| 190 | L | E | -0.8858 | |
| 191 | R | E | -1.1148 | |
| 192 | I | E | 0.0000 | |
| 193 | S | E | -1.4639 | |
| 194 | E | E | -2.6392 | |
| 195 | L | E | -1.8388 | |
| 196 | L | E | 0.0000 | |
| 197 | D | E | -3.2762 | |
| 198 | D | E | -3.0945 | |
| 199 | P | E | -1.6259 | |
| 200 | S | E | -0.5421 | |
| 201 | I | E | 0.1268 | |
| 202 | I | E | 1.2089 | |
| 203 | D | E | -0.5498 | |
| 204 | E | E | -1.9672 | |
| 205 | N | E | -1.8585 | |
| 206 | R | E | 0.0000 | |
| 207 | L | E | 0.0000 | |
| 208 | A | E | -1.2572 | |
| 209 | Q | E | -1.3364 | |
| 210 | E | E | 0.0000 | |
| 211 | V | E | -1.0957 | |
| 212 | A | E | -0.6756 | |
| 213 | I | E | -0.3421 | |
| 214 | Y | E | 0.0000 | |
| 215 | A | E | -1.4102 | |
| 216 | D | E | -2.3942 | |
| 217 | K | E | -2.3450 | |
| 218 | S | E | 0.0000 | |
| 219 | S | E | -1.9011 | |
| 220 | I | E | 0.0000 | |
| 221 | T | E | -1.9750 | |
| 222 | E | E | -2.5895 | |
| 223 | E | E | -1.9759 | |
| 224 | I | E | 0.0000 | |
| 225 | V | E | -1.4863 | |
| 226 | R | E | -2.4000 | |
| 227 | F | E | 0.0000 | |
| 228 | K | E | -2.1729 | |
| 229 | S | E | -1.5415 | |
| 230 | H | E | 0.0000 | |
| 231 | I | E | 0.0000 | |
| 232 | G | E | -2.1833 | |
| 233 | Q | E | -1.8424 | |
| 234 | L | E | 0.0000 | |
| 235 | K | E | -2.4744 | |
| 236 | N | E | -2.0987 | |
| 237 | T | E | 0.0000 | |
| 238 | I | E | -0.8914 | |
| 239 | F | E | -0.1639 | |
| 240 | K | E | -2.2403 | |
| 241 | D | E | -2.4273 | |
| 242 | D | E | -2.8412 | |
| 243 | S | E | -2.1135 | |
| 244 | I | E | 0.0000 | |
| 245 | G | E | -1.6470 | |
| 246 | R | E | -1.7996 | |
| 247 | K | E | -1.7751 | |
| 248 | I | E | 0.0000 | |
| 249 | D | E | -1.1820 | |
| 250 | F | E | 0.2153 | |
| 251 | L | E | 0.0000 | |
| 252 | I | E | 0.0000 | |
| 253 | Q | E | -1.6097 | |
| 254 | E | E | -1.6984 | |
| 255 | M | E | 0.0000 | |
| 256 | N | E | -1.9209 | |
| 257 | R | E | -2.7529 | |
| 258 | E | E | 0.0000 | |
| 259 | T | E | 0.0000 | |
| 260 | N | E | -1.6601 | |
| 261 | T | E | -1.0896 | |
| 262 | I | E | 0.0000 | |
| 263 | G | E | 0.0000 | |
| 264 | S | E | -1.1737 | |
| 265 | K | E | -1.3481 | |
| 266 | S | E | -0.9912 | |
| 267 | S | E | -0.7596 | |
| 268 | D | E | -0.5968 | |
| 269 | I | E | -0.5401 | |
| 270 | N | E | -1.1965 | |
| 271 | I | E | 0.0000 | |
| 272 | T | E | 0.0000 | |
| 273 | N | E | -1.1142 | |
| 274 | L | E | -0.8978 | |
| 275 | V | E | 0.0000 | |
| 276 | V | E | 0.0000 | |
| 277 | E | E | -0.8655 | |
| 278 | V | E | 0.0000 | |
| 279 | K | E | -1.1337 | |
| 280 | S | E | 0.0000 | |
| 281 | E | E | -0.6660 | |
| 282 | L | E | 0.0000 | |
| 283 | E | E | -1.3798 | |
| 284 | K | E | -1.5906 | |
| 285 | I | E | 0.0000 | |
| 286 | R | E | -1.7154 | |
| 287 | E | E | -1.3609 | |
| 288 | Q | E | -1.5783 | |
| 289 | I | E | 0.0000 | |
| 290 | Q | E | -1.9919 | |
| 291 | N | E | -1.5854 | |
| 292 | I | E | 0.0000 | |
| 293 | E | E | -2.0878 | |
| 1 | M | F | 0.4536 | |
| 2 | A | F | 0.0000 | |
| 3 | I | F | 0.0050 | |
| 4 | S | F | 0.0000 | |
| 5 | M | F | 0.0000 | |
| 6 | T | F | -0.2712 | |
| 7 | G | F | 0.0000 | |
| 8 | F | F | 0.0181 | |
| 9 | G | F | 0.0000 | |
| 10 | R | F | -1.1010 | |
| 11 | G | F | -1.2265 | |
| 12 | E | F | -1.5046 | |
| 13 | Y | F | -1.0297 | |
| 14 | K | F | -3.0427 | |
| 15 | D | F | -3.5765 | |
| 16 | D | F | -3.5393 | |
| 17 | N | F | -2.7376 | |
| 18 | Y | F | -1.5532 | |
| 19 | Y | F | -1.4666 | |
| 20 | F | F | 0.0000 | |
| 21 | L | F | 0.0000 | |
| 22 | V | F | 0.0000 | |
| 23 | E | F | 0.0000 | |
| 24 | C | F | 0.0000 | |
| 25 | K | F | -0.1120 | |
| 26 | T | F | 0.0000 | |
| 27 | I | F | -0.3294 | |
| 28 | N | F | -1.4148 | |
| 29 | H | F | -1.7102 | |
| 30 | K | F | -1.7429 | |
| 31 | Y | F | -0.2764 | |
| 32 | S | F | -0.6576 | |
| 33 | D | F | -0.8897 | |
| 34 | I | F | -0.3834 | |
| 35 | N | F | -0.8132 | |
| 36 | I | F | 0.0000 | |
| 37 | R | F | -1.6128 | |
| 38 | L | F | -0.6723 | |
| 39 | P | F | 0.0000 | |
| 40 | R | F | -2.5265 | |
| 41 | K | F | -2.0132 | |
| 42 | I | F | 0.0000 | |
| 43 | S | F | 0.0000 | |
| 44 | F | F | 0.3000 | |
| 45 | L | F | 0.0000 | |
| 46 | E | F | -0.7967 | |
| 47 | D | F | -0.9075 | |
| 48 | K | F | -1.3940 | |
| 49 | V | F | 0.0000 | |
| 50 | R | F | 0.0000 | |
| 51 | N | F | -2.0783 | |
| 52 | L | F | -1.1666 | |
| 53 | V | F | 0.0000 | |
| 54 | K | F | -1.4449 | |
| 55 | N | F | -1.4448 | |
| 56 | Y | F | -0.0487 | |
| 57 | V | F | -0.2730 | |
| 58 | K | F | -0.9281 | |
| 59 | R | F | 0.0000 | |
| 60 | G | F | 0.0000 | |
| 61 | R | F | -0.6242 | |
| 62 | V | F | 0.0000 | |
| 63 | D | F | 0.0000 | |
| 64 | L | F | -0.4453 | |
| 65 | Y | F | 0.0000 | |
| 66 | I | F | 0.0000 | |
| 67 | K | F | 0.0000 | |
| 68 | F | F | 0.9851 | |
| 69 | D | F | -0.5425 | |
| 70 | L | F | -0.1911 | |
| 71 | L | F | -0.9730 | |
| 72 | G | F | -1.9494 | |
| 73 | K | F | -2.4792 | |
| 74 | E | F | -3.0967 | |
| 75 | D | F | -3.2994 | |
| 76 | V | F | 0.0000 | |
| 77 | N | F | -2.4154 | |
| 78 | L | F | 0.0000 | |
| 79 | N | F | -1.4113 | |
| 80 | F | F | -1.0121 | |
| 81 | D | F | -1.4732 | |
| 82 | E | F | -2.1592 | |
| 83 | G | F | -1.3992 | |
| 84 | L | F | 0.0000 | |
| 85 | A | F | 0.0000 | |
| 86 | S | F | -1.7655 | |
| 87 | Q | F | -1.9528 | |
| 88 | Y | F | 0.0000 | |
| 89 | I | F | 0.0000 | |
| 90 | D | F | -2.3602 | |
| 91 | I | F | -1.9892 | |
| 92 | L | F | 0.0000 | |
| 93 | K | F | -2.9690 | |
| 94 | E | F | -2.9605 | |
| 95 | I | F | 0.0000 | |
| 96 | K | F | -2.5011 | |
| 97 | N | F | -2.8486 | |
| 98 | K | F | -2.7596 | |
| 99 | F | F | 0.0000 | |
| 100 | D | F | -2.2769 | |
| 101 | I | F | -1.0757 | |
| 102 | I | F | -0.6633 | |
| 103 | D | F | -0.5721 | |
| 104 | D | F | -0.8565 | |
| 105 | I | F | 0.0000 | |
| 106 | S | F | 0.0000 | |
| 107 | V | F | 0.0000 | |
| 108 | M | F | 0.0000 | |
| 109 | N | F | -0.8264 | |
| 110 | V | F | 0.0000 | |
| 111 | A | F | 0.0000 | |
| 112 | K | F | -0.9116 | |
| 113 | F | F | 0.0000 | |
| 114 | P | F | -0.8516 | |
| 115 | D | F | -0.8926 | |
| 116 | I | F | 0.0000 | |
| 117 | V | F | 0.0000 | |
| 118 | K | F | 0.0000 | |
| 119 | I | F | -1.1456 | |
| 120 | E | F | -2.5499 | |
| 121 | E | F | -3.9072 | |
| 122 | K | F | -4.4276 | |
| 123 | E | F | -4.5237 | |
| 124 | E | F | -3.8936 | |
| 125 | D | F | 0.0000 | |
| 126 | E | F | -1.9624 | |
| 127 | D | F | -1.3349 | |
| 128 | L | F | 0.8057 | |
| 129 | L | F | 0.0000 | |
| 130 | W | F | 0.2419 | |
| 131 | S | F | -0.1432 | |
| 132 | M | F | 0.6098 | |
| 133 | L | F | 0.0000 | |
| 134 | N | F | -0.9304 | |
| 135 | Q | F | -1.1654 | |
| 136 | A | F | 0.0000 | |
| 137 | V | F | 0.0000 | |
| 138 | E | F | -1.0010 | |
| 139 | D | F | -0.7625 | |
| 140 | A | F | 0.0000 | |
| 141 | L | F | 0.0000 | |
| 142 | I | F | 0.4421 | |
| 143 | K | F | -0.9060 | |
| 144 | L | F | 0.0000 | |
| 145 | R | F | -1.9858 | |
| 146 | E | F | -2.6048 | |
| 147 | M | F | -1.5836 | |
| 148 | R | F | 0.0000 | |
| 149 | S | F | -2.4594 | |
| 150 | E | F | -3.4886 | |
| 151 | E | F | -2.8782 | |
| 152 | G | F | 0.0000 | |
| 153 | K | F | -3.1524 | |
| 154 | K | F | -3.0306 | |
| 155 | L | F | 0.0000 | |
| 156 | A | F | 0.0000 | |
| 157 | E | F | -2.1433 | |
| 158 | D | F | -1.8114 | |
| 159 | I | F | 0.0000 | |
| 160 | A | F | -0.8391 | |
| 161 | M | F | -0.0784 | |
| 162 | R | F | -0.9737 | |
| 163 | C | F | -1.3589 | |
| 164 | D | F | -2.0664 | |
| 165 | L | F | -0.6660 | |
| 166 | L | F | 0.0000 | |
| 167 | K | F | -2.1329 | |
| 168 | N | F | -2.3076 | |
| 169 | H | F | -2.1757 | |
| 170 | I | F | 0.0000 | |
| 171 | E | F | -2.3288 | |
| 172 | E | F | -2.2697 | |
| 173 | I | F | 0.0000 | |
| 174 | E | F | -1.9343 | |
| 175 | K | F | -2.1593 | |
| 176 | Y | F | -0.3687 | |
| 177 | S | F | -0.9335 | |
| 178 | S | F | -0.7841 | |
| 179 | S | F | -0.8041 | |
| 180 | V | F | 0.0000 | |
| 181 | V | F | -1.0029 | |
| 182 | E | F | -2.6482 | |
| 183 | D | F | -2.2747 | |
| 184 | Y | F | 0.0000 | |
| 185 | R | F | -2.9603 | |
| 186 | E | F | -3.2714 | |
| 187 | K | F | -2.5698 | |
| 188 | L | F | 0.0000 | |
| 189 | N | F | -2.0002 | |
| 190 | L | F | -0.4319 | |
| 191 | R | F | -1.4667 | |
| 192 | I | F | 0.0000 | |
| 193 | S | F | -0.6332 | |
| 194 | E | F | -1.5089 | |
| 195 | L | F | -0.9943 | |
| 196 | L | F | -0.1419 | |
| 197 | D | F | -2.3873 | |
| 198 | D | F | -2.3235 | |
| 199 | P | F | -0.8872 | |
| 200 | S | F | -0.7714 | |
| 201 | I | F | 0.4592 | |
| 202 | I | F | 0.9302 | |
| 203 | D | F | -1.1383 | |
| 204 | E | F | -1.8008 | |
| 205 | N | F | -1.8801 | |
| 206 | R | F | 0.0000 | |
| 207 | L | F | 0.0000 | |
| 208 | A | F | -1.0701 | |
| 209 | Q | F | -1.7294 | |
| 210 | E | F | -1.5051 | |
| 211 | V | F | 0.0000 | |
| 212 | A | F | -0.5850 | |
| 213 | I | F | 0.0000 | |
| 214 | Y | F | 0.0000 | |
| 215 | A | F | -0.6054 | |
| 216 | D | F | -0.8243 | |
| 217 | K | F | -0.8046 | |
| 218 | S | F | -0.7458 | |
| 219 | S | F | 0.0000 | |
| 220 | I | F | 0.0000 | |
| 221 | T | F | -0.1051 | |
| 222 | E | F | -0.0305 | |
| 223 | E | F | 0.0000 | |
| 224 | I | F | 0.0000 | |
| 225 | V | F | 0.3317 | |
| 226 | R | F | -0.0965 | |
| 227 | F | F | 0.0000 | |
| 228 | K | F | -1.5781 | |
| 229 | S | F | -0.7450 | |
| 230 | H | F | 0.0000 | |
| 231 | I | F | 0.0000 | |
| 232 | G | F | -1.6585 | |
| 233 | Q | F | 0.0000 | |
| 234 | L | F | 0.0000 | |
| 235 | K | F | -1.9809 | |
| 236 | N | F | -1.7018 | |
| 237 | T | F | 0.0000 | |
| 238 | I | F | -0.3944 | |
| 239 | F | F | 0.0670 | |
| 240 | K | F | -1.9956 | |
| 241 | D | F | -2.1506 | |
| 242 | D | F | -2.2358 | |
| 243 | S | F | -1.4162 | |
| 244 | I | F | 0.0000 | |
| 245 | G | F | 0.0000 | |
| 246 | R | F | -1.1670 | |
| 247 | K | F | 0.0000 | |
| 248 | I | F | 0.0000 | |
| 249 | D | F | -1.9786 | |
| 250 | F | F | -1.0385 | |
| 251 | L | F | 0.0000 | |
| 252 | I | F | 0.0000 | |
| 253 | Q | F | -2.0575 | |
| 254 | E | F | 0.0000 | |
| 255 | M | F | 0.0000 | |
| 256 | N | F | -2.1663 | |
| 257 | R | F | -1.9722 | |
| 258 | E | F | 0.0000 | |
| 259 | T | F | 0.0000 | |
| 260 | N | F | -1.8576 | |
| 261 | T | F | -1.1906 | |
| 262 | I | F | 0.0000 | |
| 263 | G | F | -0.5482 | |
| 264 | S | F | -0.7896 | |
| 265 | K | F | 0.0000 | |
| 266 | S | F | -0.1171 | |
| 267 | S | F | 0.0000 | |
| 268 | D | F | 0.3226 | |
| 269 | I | F | 1.0738 | |
| 270 | N | F | -0.4557 | |
| 271 | I | F | 0.0000 | |
| 272 | T | F | -0.1222 | |
| 273 | N | F | -1.0060 | |
| 274 | L | F | -0.9602 | |
| 275 | V | F | 0.0000 | |
| 276 | V | F | -0.2091 | |
| 277 | E | F | -1.5032 | |
| 278 | V | F | 0.0000 | |
| 279 | K | F | -2.4558 | |
| 280 | S | F | -1.6335 | |
| 281 | E | F | 0.0000 | |
| 282 | L | F | 0.0000 | |
| 283 | E | F | -3.5654 | |
| 284 | K | F | -3.1079 | |
| 285 | I | F | 0.0000 | |
| 286 | R | F | -3.7352 | |
| 287 | E | F | -3.9084 | |
| 288 | Q | F | -3.0245 | |
| 289 | I | F | 0.0000 | |
| 290 | Q | F | -3.4545 | |
| 291 | N | F | -2.6279 | |
| 292 | I | F | 0.0000 | |
| 293 | E | F | -1.8775 |
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, -1.0037 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_0 | -1.0037 | View | CSV | PDB |
| model_3 | -1.0085 | View | CSV | PDB |
| model_4 | -1.0091 | View | CSV | PDB |
| model_10 | -1.0176 | View | CSV | PDB |
| model_5 | -1.0215 | View | CSV | PDB |
| model_8 | -1.0264 | View | CSV | PDB |
| model_2 | -1.0337 | View | CSV | PDB |
| CABS_average | -1.0378 | View | CSV | PDB |
| model_6 | -1.0395 | View | CSV | PDB |
| model_1 | -1.0566 | View | CSV | PDB |
| model_7 | -1.0661 | View | CSV | PDB |
| input | -1.0665 | View | CSV | PDB |
| model_9 | -1.078 | View | CSV | PDB |
| model_11 | -1.093 | 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