Project name: MPV_addsd_169Y172I173H174Y180Y [mutate: RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180A, AY180C, AY180B]
Status: done
Started: 2025-12-12 09:39:28
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | SI172B,DH173B,AY180B,RY169B,NY174B,RY169C,DH173C,SI172C,NY174C,NY174A,DH173A,SI172A,AY180C,RY169A,AY180A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -3.23959 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] FoldX: Building mutant model (00:31:21)
[INFO] CABS: Running CABS flex simulation (01:04:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (11:23:23)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (11:23:49)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (11:24:16)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (11:24:44)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (11:25:13)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (11:25:41)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (11:26:09)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (11:26:37)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (11:27:05)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (11:27:33)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (11:28:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (11:28:29)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (11:28:58)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (11:29:56)
[INFO] Main: Simulation completed successfully. (11:30:23)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -4.362
- Maximal score value
- 2.2863
- Average score
- -0.5967
- Total score value
- -810.8617
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 | L | A | 0.3202 | |
| 2 | K | A | -1.4217 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -0.9466 | |
| 8 | E | A | -1.7031 | |
| 9 | S | A | 0.0000 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | E | A | -0.2770 | |
| 16 | G | A | -0.0600 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | 0.3818 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.2431 | |
| 24 | G | A | -0.1745 | |
| 25 | W | A | -0.2027 | |
| 26 | Y | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | E | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -3.1008 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -3.5501 | |
| 39 | N | A | -2.8537 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -3.0399 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.6156 | |
| 44 | D | A | -2.8811 | |
| 45 | G | A | 0.0000 | |
| 46 | P | A | -1.9457 | |
| 47 | S | A | -1.1177 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.9125 | |
| 51 | T | A | -1.1178 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.4159 | |
| 55 | L | A | -0.6819 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -2.3522 | |
| 58 | S | A | -1.5511 | |
| 59 | A | A | -1.2809 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -2.4148 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.6751 | |
| 65 | T | A | -1.1997 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.4886 | |
| 68 | A | A | -0.4343 | |
| 69 | D | A | -0.8048 | |
| 70 | Q | A | -0.5580 | |
| 71 | L | A | -0.2328 | |
| 72 | G | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | A | A | -0.1498 | |
| 78 | T | A | -0.2352 | |
| 79 | A | A | 0.0000 | |
| 80 | A | A | 0.2388 | |
| 81 | A | A | 0.3680 | |
| 82 | V | A | 0.4606 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | -0.3787 | |
| 87 | A | A | -0.4646 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | -0.7726 | |
| 90 | K | A | -1.0265 | |
| 91 | C | A | -0.6104 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -1.6379 | |
| 94 | L | A | -0.0675 | |
| 95 | P | A | -0.3534 | |
| 96 | S | A | -0.5321 | |
| 97 | E | A | -0.8136 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.8602 | |
| 100 | A | A | -0.9134 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.9187 | |
| 103 | N | A | -2.3268 | |
| 104 | A | A | -1.5993 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.2362 | |
| 107 | K | A | -3.3283 | |
| 108 | T | A | 0.0000 | |
| 109 | N | A | -2.5023 | |
| 110 | E | A | -1.7313 | |
| 111 | A | A | -0.1514 | |
| 112 | V | A | 1.1383 | |
| 113 | S | A | 0.2417 | |
| 114 | T | A | -0.3753 | |
| 115 | L | A | -0.8002 | |
| 116 | G | A | -1.1816 | |
| 117 | C | A | -1.0928 | |
| 118 | G | A | -1.3313 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -1.6914 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | -1.4994 | |
| 126 | V | A | 0.0000 | |
| 127 | P | A | -1.4017 | |
| 128 | E | A | -1.3585 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -1.9412 | |
| 131 | D | A | -2.5340 | |
| 132 | F | A | -1.8800 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.2787 | |
| 135 | K | A | -2.8131 | |
| 136 | N | A | -1.9755 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.5182 | |
| 139 | R | A | -2.8583 | |
| 140 | A | A | -2.7598 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.7970 | |
| 143 | K | A | -4.2278 | |
| 144 | N | A | -4.0802 | |
| 145 | K | A | -4.2259 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -3.6641 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.8131 | |
| 150 | D | A | -2.6540 | |
| 151 | L | A | 0.0000 | |
| 152 | K | A | -1.4450 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.1978 | |
| 159 | Q | A | -0.2948 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.5215 | |
| 163 | R | A | -0.6076 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.2611 | |
| 166 | N | A | -0.7587 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.0895 | mutated: RY169A |
| 170 | Q | A | -0.0838 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | 0.0000 | mutated: DH173A |
| 174 | Y | A | 0.0000 | mutated: NY174A |
| 175 | A | A | 0.0000 | |
| 176 | G | A | -0.5216 | |
| 177 | I | A | 0.1949 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | 0.0331 | |
| 180 | Y | A | 0.0685 | mutated: AY180A |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.3365 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.3957 | |
| 188 | D | A | -0.8558 | |
| 189 | A | A | -0.5783 | |
| 190 | E | A | -1.1240 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | R | A | -1.6676 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -0.8701 | |
| 197 | N | A | -0.8387 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.2138 | |
| 200 | T | A | -0.2468 | |
| 201 | S | A | -0.2152 | |
| 202 | A | A | -0.3577 | |
| 203 | G | A | -0.4617 | |
| 204 | Q | A | -0.1549 | |
| 205 | I | A | -0.5729 | |
| 206 | K | A | -1.4782 | |
| 207 | L | A | -0.7082 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.5735 | |
| 210 | E | A | -1.0287 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.6855 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | -0.5136 | |
| 217 | R | A | -0.5482 | |
| 218 | K | A | -0.3677 | |
| 219 | G | A | -0.1232 | |
| 220 | F | A | 0.4166 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.4148 | |
| 226 | V | A | -0.1306 | |
| 227 | Y | A | 0.1468 | |
| 228 | G | A | -0.4607 | |
| 229 | S | A | -0.9196 | |
| 230 | S | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | Q | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | I | A | 0.3295 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | V | A | 1.1294 | |
| 243 | I | A | 1.0545 | |
| 244 | D | A | 0.0000 | |
| 245 | T | A | 0.2813 | |
| 246 | P | A | -0.0523 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.0290 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.9697 | |
| 252 | A | A | -0.7359 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.7025 | |
| 257 | S | A | 0.0000 | |
| 258 | E | A | -3.0110 | |
| 259 | K | A | -3.3192 | |
| 260 | K | A | -3.1171 | |
| 261 | G | A | -2.0734 | |
| 262 | N | A | -1.5669 | |
| 263 | Y | A | -0.4813 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -0.3586 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | 0.0000 | |
| 270 | D | A | -2.1728 | |
| 271 | Q | A | -1.6576 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.4733 | |
| 277 | N | A | -0.6392 | |
| 278 | A | A | -0.5637 | |
| 279 | G | A | -0.9134 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.3896 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.3051 | |
| 286 | N | A | -2.2452 | |
| 287 | E | A | -3.0367 | |
| 288 | K | A | -2.8913 | |
| 289 | D | A | 0.0000 | |
| 290 | C | A | -1.2740 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -0.7874 | |
| 293 | R | A | -0.8737 | |
| 294 | G | A | -1.0449 | |
| 295 | D | A | -1.1317 | |
| 296 | H | A | -0.5833 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.2812 | |
| 303 | A | A | 0.0706 | |
| 304 | G | A | 0.3868 | |
| 305 | I | A | 1.1254 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | -0.0971 | |
| 308 | A | A | -0.8835 | |
| 309 | E | A | -1.6078 | |
| 310 | Q | A | -1.9135 | |
| 311 | S | A | -1.2907 | |
| 312 | K | A | -1.1694 | |
| 313 | E | A | -1.7808 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 0.1593 | |
| 317 | N | A | 0.2151 | |
| 318 | I | A | 0.8569 | |
| 319 | S | A | 0.1259 | |
| 320 | T | A | 0.0931 | |
| 321 | T | A | -0.0866 | |
| 322 | N | A | -0.0371 | |
| 323 | Y | A | 0.5788 | |
| 324 | P | A | -0.1305 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -1.8730 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.6721 | |
| 329 | T | A | -0.3588 | |
| 330 | G | A | -0.1531 | |
| 331 | R | A | -0.8043 | |
| 332 | H | A | -0.4389 | |
| 333 | P | A | -0.1577 | |
| 334 | I | A | 0.3008 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.7881 | |
| 337 | V | A | 0.8193 | |
| 338 | A | A | 0.2148 | |
| 339 | L | A | 0.3487 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0348 | |
| 342 | L | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | Y | A | -1.2233 | |
| 350 | K | A | -2.1833 | |
| 351 | G | A | -1.3352 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.6637 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.5187 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.8229 | |
| 360 | R | A | -1.7726 | |
| 361 | V | A | 0.0686 | |
| 362 | G | A | 0.7015 | |
| 363 | I | A | 2.2855 | |
| 364 | I | A | 2.2863 | |
| 365 | K | A | -0.0434 | |
| 366 | Q | A | -1.4963 | |
| 367 | L | A | -1.5046 | |
| 368 | N | A | -2.6418 | |
| 369 | K | A | -2.7626 | |
| 370 | G | A | -2.0525 | |
| 371 | C | A | 0.0000 | |
| 372 | S | A | -0.9342 | |
| 373 | Y | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | -0.2415 | |
| 376 | N | A | -0.6490 | |
| 377 | Q | A | -1.0513 | |
| 378 | D | A | -0.4361 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | -0.1931 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.3169 | |
| 384 | I | A | -0.6895 | |
| 385 | D | A | -1.8405 | |
| 386 | N | A | -0.8494 | |
| 387 | T | A | -0.2093 | |
| 388 | V | A | 0.2183 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | -0.1277 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.4737 | |
| 393 | K | A | -0.0918 | |
| 394 | V | A | 1.2404 | |
| 395 | E | A | -0.1656 | |
| 396 | G | A | -1.2834 | |
| 397 | E | A | -2.2441 | |
| 398 | Q | A | -1.2741 | |
| 399 | H | A | -1.1208 | |
| 400 | V | A | 0.6292 | |
| 401 | I | A | 0.0000 | |
| 402 | K | A | -1.4358 | |
| 403 | G | A | -0.8989 | |
| 404 | R | A | 0.0000 | |
| 405 | P | A | -0.6218 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.3130 | |
| 409 | S | A | -0.9597 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | -2.0287 | |
| 412 | P | A | -0.0685 | |
| 413 | V | A | 1.0036 | |
| 414 | K | A | 0.0833 | |
| 415 | F | A | 0.3359 | |
| 416 | P | A | 0.0000 | |
| 417 | E | A | 0.0922 | |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | -0.1880 | |
| 421 | N | A | -0.5967 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | -1.0163 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | 0.0415 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | 0.4383 | |
| 429 | E | A | -0.8473 | |
| 430 | N | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | E | A | -2.1305 | |
| 433 | N | A | -1.6361 | |
| 434 | S | A | 0.0000 | |
| 435 | Q | A | -1.6892 | |
| 436 | A | A | -1.5178 | |
| 437 | W | A | -0.7376 | |
| 438 | V | A | -0.7072 | |
| 439 | D | A | -1.6895 | |
| 440 | Q | A | -1.2191 | |
| 441 | F | A | -0.3470 | |
| 442 | N | A | -1.6997 | |
| 443 | R | A | -2.5580 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.3686 | |
| 446 | S | A | -1.9643 | |
| 447 | S | A | -2.0797 | |
| 448 | A | A | 0.0000 | |
| 449 | E | A | -2.8513 | |
| 450 | K | A | -2.8224 | |
| 451 | G | A | 0.0000 | |
| 452 | N | A | 0.0000 | |
| 453 | T | A | -1.3897 | |
| 1 | L | B | -1.3579 | |
| 2 | K | B | -2.2872 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.4600 | |
| 5 | Y | B | -0.5187 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -2.1657 | |
| 8 | E | B | -2.7524 | |
| 9 | S | B | 0.0000 | |
| 10 | C | B | 0.0000 | |
| 11 | S | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | I | B | 0.0000 | |
| 14 | T | B | 0.0000 | |
| 15 | E | B | -1.1149 | |
| 16 | G | B | -1.1279 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | -0.9872 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | -0.2518 | |
| 23 | T | B | 0.0951 | |
| 24 | G | B | 0.0016 | |
| 25 | W | B | -0.0857 | |
| 26 | Y | B | 0.0000 | |
| 27 | T | B | 0.0000 | |
| 28 | N | B | 0.0000 | |
| 29 | V | B | 0.0000 | |
| 30 | F | B | 0.0000 | |
| 31 | T | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | E | B | -1.5575 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.5891 | |
| 36 | D | B | -1.8716 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -2.2195 | |
| 39 | N | B | -2.0175 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.0797 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -2.2002 | |
| 44 | D | B | -1.8007 | |
| 45 | G | B | -1.3049 | |
| 46 | P | B | -0.8760 | |
| 47 | S | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.7408 | |
| 51 | T | B | -1.1004 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -2.1858 | |
| 55 | L | B | -1.1311 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.0654 | |
| 58 | S | B | -1.4431 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | R | B | -2.2193 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.9738 | |
| 65 | T | B | 0.0000 | |
| 66 | V | B | -0.8737 | |
| 67 | S | B | -0.9866 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -2.2236 | |
| 70 | Q | B | -1.2059 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | G | B | -1.0397 | |
| 76 | S | B | 0.0000 | |
| 77 | A | B | 0.0033 | |
| 78 | T | B | -0.1487 | |
| 79 | A | B | 0.1244 | |
| 80 | A | B | 0.0000 | |
| 81 | A | B | 0.4863 | |
| 82 | V | B | 0.9307 | |
| 83 | T | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.0000 | |
| 87 | A | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -0.8486 | |
| 91 | C | B | -0.1861 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.5727 | |
| 94 | L | B | -0.1103 | |
| 95 | P | B | -0.5805 | |
| 96 | S | B | -0.7358 | |
| 97 | E | B | -0.9786 | |
| 98 | V | B | -0.8989 | |
| 99 | T | B | -0.8439 | |
| 100 | A | B | -1.2698 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.7882 | |
| 103 | N | B | -2.6082 | |
| 104 | A | B | -2.0109 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.5544 | |
| 107 | K | B | -3.3652 | |
| 108 | T | B | -2.2854 | |
| 109 | N | B | -2.2514 | |
| 110 | E | B | -1.4235 | |
| 111 | A | B | -0.6651 | |
| 112 | V | B | 1.0871 | |
| 113 | S | B | 0.2971 | |
| 114 | T | B | -0.2860 | |
| 115 | L | B | 0.0000 | |
| 116 | G | B | -1.2992 | |
| 117 | C | B | -1.1480 | |
| 118 | G | B | -1.1898 | |
| 119 | V | B | -0.8114 | |
| 120 | R | B | -0.9618 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | -0.8697 | |
| 125 | A | B | -1.4108 | |
| 126 | V | B | -1.1505 | |
| 127 | P | B | -2.0589 | |
| 128 | E | B | -2.8575 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -3.1465 | |
| 131 | D | B | -2.8077 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | -1.5851 | |
| 134 | S | B | -1.6798 | |
| 135 | K | B | -1.5198 | |
| 136 | N | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -1.3983 | |
| 139 | R | B | -2.3193 | |
| 140 | A | B | -2.3204 | |
| 141 | I | B | -2.1465 | |
| 142 | N | B | -3.1943 | |
| 143 | K | B | -2.9372 | |
| 144 | N | B | -3.4262 | |
| 145 | K | B | -3.6248 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -2.9276 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.2649 | |
| 150 | D | B | -1.4826 | |
| 151 | L | B | -1.0820 | |
| 152 | K | B | -0.7788 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | S | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.1599 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.4700 | |
| 163 | R | B | -0.7061 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.1663 | |
| 166 | N | B | -0.6834 | |
| 167 | V | B | -0.2416 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | -0.2066 | mutated: RY169B |
| 170 | Q | B | -0.0563 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | -0.3356 | mutated: DH173B |
| 174 | Y | B | 0.1052 | mutated: NY174B |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.7409 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | 0.1760 | |
| 180 | Y | B | 0.1615 | mutated: AY180B |
| 181 | I | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.5478 | |
| 185 | L | B | -0.2750 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.5996 | |
| 188 | D | B | -0.9380 | |
| 189 | A | B | -0.8209 | |
| 190 | E | B | -1.0660 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.5370 | |
| 193 | R | B | -2.2269 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.4530 | |
| 197 | N | B | -1.3462 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.6162 | |
| 200 | T | B | -0.4405 | |
| 201 | S | B | -0.4273 | |
| 202 | A | B | -0.6032 | |
| 203 | G | B | -0.9966 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | -0.9304 | |
| 206 | K | B | -1.9270 | |
| 207 | L | B | -1.0738 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -1.2445 | |
| 210 | E | B | -2.0241 | |
| 211 | N | B | -1.3481 | |
| 212 | R | B | -1.1577 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -1.4643 | |
| 218 | K | B | -0.9914 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.7456 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.5218 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.1933 | |
| 226 | V | B | 0.1809 | |
| 227 | Y | B | 0.9049 | |
| 228 | G | B | -0.4149 | |
| 229 | S | B | -0.4808 | |
| 230 | S | B | -0.1020 | |
| 231 | V | B | 0.0000 | |
| 232 | I | B | 0.0000 | |
| 233 | Y | B | 0.0000 | |
| 234 | M | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | Q | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | I | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | -0.0085 | |
| 242 | V | B | 0.2377 | |
| 243 | I | B | -0.3584 | |
| 244 | D | B | -1.6785 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.9473 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | 0.0000 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | 0.0000 | |
| 252 | A | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.6873 | |
| 257 | S | B | 0.0000 | |
| 258 | E | B | -2.1334 | |
| 259 | K | B | -2.9807 | |
| 260 | K | B | -2.9505 | |
| 261 | G | B | -2.0441 | |
| 262 | N | B | -2.4502 | |
| 263 | Y | B | -1.4903 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | 0.1628 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -0.9340 | |
| 270 | D | B | -1.0731 | |
| 271 | Q | B | 0.0000 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.7173 | |
| 277 | N | B | -0.6909 | |
| 278 | A | B | -0.6053 | |
| 279 | G | B | -0.6803 | |
| 280 | S | B | -0.6545 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.1179 | |
| 284 | Y | B | -0.3123 | |
| 285 | P | B | -1.1176 | |
| 286 | N | B | -1.9107 | |
| 287 | E | B | -1.7798 | |
| 288 | K | B | -2.0388 | |
| 289 | D | B | -2.5434 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -1.2412 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -1.7202 | |
| 294 | G | B | -1.7884 | |
| 295 | D | B | -2.4118 | |
| 296 | H | B | -1.6355 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | 0.0000 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | -0.0459 | |
| 303 | A | B | -0.4488 | |
| 304 | G | B | 0.0000 | |
| 305 | I | B | 0.3924 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0546 | |
| 308 | A | B | -0.2800 | |
| 309 | E | B | -0.7828 | |
| 310 | Q | B | -0.5058 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -0.7066 | |
| 313 | E | B | -0.2131 | |
| 314 | C | B | -0.0804 | |
| 315 | N | B | 0.0000 | |
| 316 | I | B | 0.1935 | |
| 317 | N | B | -0.0455 | |
| 318 | I | B | 1.4374 | |
| 319 | S | B | 0.3674 | |
| 320 | T | B | -0.0830 | |
| 321 | T | B | -0.3171 | |
| 322 | N | B | -1.0716 | |
| 323 | Y | B | -0.6436 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | -0.4691 | |
| 326 | K | B | -0.4954 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.1455 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | -2.2969 | |
| 332 | H | B | -1.7645 | |
| 333 | P | B | -0.7762 | |
| 334 | I | B | 0.0361 | |
| 335 | S | B | 0.3188 | |
| 336 | M | B | 0.6475 | |
| 337 | V | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.0000 | |
| 342 | L | B | -0.0715 | |
| 343 | G | B | 0.0000 | |
| 344 | A | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | V | B | 0.0000 | |
| 347 | A | B | 0.0000 | |
| 348 | C | B | 0.0000 | |
| 349 | Y | B | -1.2029 | |
| 350 | K | B | -1.8256 | |
| 351 | G | B | -1.1036 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.5159 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.5779 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.0000 | |
| 358 | S | B | -0.5339 | |
| 359 | N | B | -1.1229 | |
| 360 | R | B | -1.4847 | |
| 361 | V | B | 0.6288 | |
| 362 | G | B | 0.5263 | |
| 363 | I | B | 0.8954 | |
| 364 | I | B | 1.1500 | |
| 365 | K | B | -1.2272 | |
| 366 | Q | B | -1.6229 | |
| 367 | L | B | -1.2713 | |
| 368 | N | B | -2.3274 | |
| 369 | K | B | -2.3884 | |
| 370 | G | B | -1.1066 | |
| 371 | C | B | -0.6469 | |
| 372 | S | B | -0.4427 | |
| 373 | Y | B | -0.1562 | |
| 374 | I | B | -0.5436 | |
| 375 | T | B | 0.0000 | |
| 376 | N | B | -2.1095 | |
| 377 | Q | B | -1.4229 | |
| 378 | D | B | -1.3397 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.1845 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.2619 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.1414 | |
| 386 | N | B | -0.4501 | |
| 387 | T | B | 0.0296 | |
| 388 | V | B | 0.2238 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0510 | |
| 393 | K | B | -0.2749 | |
| 394 | V | B | 0.5467 | |
| 395 | E | B | -1.5101 | |
| 396 | G | B | -1.8333 | |
| 397 | E | B | -2.7397 | |
| 398 | Q | B | -1.9456 | |
| 399 | H | B | -0.8738 | |
| 400 | V | B | 0.7075 | |
| 401 | I | B | -0.5103 | |
| 402 | K | B | -2.0433 | |
| 403 | G | B | -1.3289 | |
| 404 | R | B | 0.0000 | |
| 405 | P | B | -0.7457 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | -0.5085 | |
| 408 | S | B | -1.0051 | |
| 409 | S | B | -0.3244 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.1606 | |
| 412 | P | B | 0.0000 | |
| 413 | V | B | -0.1449 | |
| 414 | K | B | 0.0000 | |
| 415 | F | B | 0.0044 | |
| 416 | P | B | -0.2092 | |
| 417 | E | B | 0.0000 | |
| 418 | D | B | -0.5153 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.3461 | |
| 421 | N | B | -0.2667 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | P | B | -0.4630 | |
| 426 | Q | B | -0.5448 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | -0.5905 | |
| 429 | E | B | -1.6091 | |
| 430 | N | B | 0.0000 | |
| 431 | I | B | -1.0278 | |
| 432 | E | B | -1.8890 | |
| 433 | N | B | -1.1355 | |
| 434 | S | B | 0.0000 | |
| 435 | Q | B | -1.6099 | |
| 436 | A | B | -1.1216 | |
| 437 | W | B | -1.0195 | |
| 438 | V | B | -0.8934 | |
| 439 | D | B | -2.0555 | |
| 440 | Q | B | -1.9486 | |
| 441 | F | B | 0.0000 | |
| 442 | N | B | -2.6976 | |
| 443 | R | B | -3.2059 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -2.1903 | |
| 446 | S | B | -2.6470 | |
| 447 | S | B | -2.4006 | |
| 448 | A | B | 0.0000 | |
| 449 | E | B | -3.2110 | |
| 450 | K | B | -3.1251 | |
| 451 | G | B | -2.2619 | |
| 452 | N | B | -2.3170 | |
| 453 | T | B | -1.3632 | |
| 1 | L | C | -1.4103 | |
| 2 | K | C | -1.8649 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | 0.2036 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.1498 | |
| 8 | E | C | 0.0000 | |
| 9 | S | C | 0.0000 | |
| 10 | C | C | 0.0000 | |
| 11 | S | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | -0.9637 | |
| 16 | G | C | -1.0888 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.9687 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.1496 | |
| 24 | G | C | 0.1546 | |
| 25 | W | C | 0.0008 | |
| 26 | Y | C | 0.0000 | |
| 27 | T | C | 0.0000 | |
| 28 | N | C | 0.0000 | |
| 29 | V | C | 0.0000 | |
| 30 | F | C | 0.0000 | |
| 31 | T | C | 0.0000 | |
| 32 | L | C | 0.0000 | |
| 33 | E | C | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -1.5673 | |
| 36 | D | C | -2.2168 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -3.0951 | |
| 39 | N | C | -3.0006 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.3515 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.4606 | |
| 44 | D | C | -3.3978 | |
| 45 | G | C | -2.3667 | |
| 46 | P | C | -1.7397 | |
| 47 | S | C | -0.9520 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -1.3965 | |
| 51 | T | C | -0.6620 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.6260 | |
| 55 | L | C | -0.8616 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -2.7416 | |
| 58 | S | C | -1.6257 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.5391 | |
| 61 | R | C | -2.2837 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -1.4535 | |
| 65 | T | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.7606 | |
| 68 | A | C | -0.6935 | |
| 69 | D | C | 0.0000 | |
| 70 | Q | C | -1.0534 | |
| 71 | L | C | -0.1853 | |
| 72 | G | C | -0.3592 | |
| 73 | G | C | 0.0000 | |
| 74 | G | C | -0.4238 | |
| 75 | G | C | -0.6712 | |
| 76 | S | C | -0.4267 | |
| 77 | A | C | -0.2047 | |
| 78 | T | C | 0.0178 | |
| 79 | A | C | -0.2895 | |
| 80 | A | C | 0.2526 | |
| 81 | A | C | 0.0000 | |
| 82 | V | C | 0.4353 | |
| 83 | T | C | 0.1608 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.0141 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | -0.4318 | |
| 90 | K | C | -0.5594 | |
| 91 | C | C | 0.0000 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.5047 | |
| 94 | L | C | -0.0174 | |
| 95 | P | C | -0.4626 | |
| 96 | S | C | -0.6251 | |
| 97 | E | C | -0.7200 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -0.8103 | |
| 100 | A | C | -1.0134 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.9119 | |
| 103 | N | C | -2.3826 | |
| 104 | A | C | -1.5302 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.2489 | |
| 107 | K | C | -3.1762 | |
| 108 | T | C | -2.2790 | |
| 109 | N | C | -2.1490 | |
| 110 | E | C | -1.0749 | |
| 111 | A | C | -0.0374 | |
| 112 | V | C | 1.2201 | |
| 113 | S | C | 0.2101 | |
| 114 | T | C | -0.4643 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -1.0297 | |
| 117 | C | C | -1.1702 | |
| 118 | G | C | -1.2142 | |
| 119 | V | C | -0.9929 | |
| 120 | R | C | -1.5065 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | -0.8564 | |
| 125 | A | C | -1.4373 | |
| 126 | V | C | -0.9930 | |
| 127 | P | C | 0.0000 | |
| 128 | E | C | -0.9016 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -1.6453 | |
| 131 | D | C | -1.4497 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -1.4519 | |
| 135 | K | C | -1.6180 | |
| 136 | N | C | -1.4298 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.3332 | |
| 139 | R | C | -2.7074 | |
| 140 | A | C | -2.0427 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.6618 | |
| 143 | K | C | -4.3620 | |
| 144 | N | C | -4.0524 | |
| 145 | K | C | -4.2073 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.5943 | |
| 148 | I | C | -1.9882 | |
| 149 | P | C | -1.7316 | |
| 150 | D | C | -2.4645 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -0.9433 | |
| 153 | M | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.1928 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.5060 | |
| 163 | R | C | -0.5940 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.0602 | |
| 166 | N | C | -0.4891 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | 0.0327 | mutated: RY169C |
| 170 | Q | C | -0.1553 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.0671 | mutated: DH173C |
| 174 | Y | C | 0.2091 | mutated: NY174C |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0520 | |
| 179 | P | C | -0.1248 | |
| 180 | Y | C | 0.0000 | mutated: AY180C |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.5439 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4799 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.7771 | |
| 190 | E | C | -0.8322 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -0.8574 | |
| 193 | R | C | -1.9377 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.3902 | |
| 197 | N | C | -1.6142 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.5431 | |
| 200 | T | C | -0.2124 | |
| 201 | S | C | -0.3566 | |
| 202 | A | C | -0.4699 | |
| 203 | G | C | -0.8966 | |
| 204 | Q | C | -0.6608 | |
| 205 | I | C | -0.5429 | |
| 206 | K | C | -1.3949 | |
| 207 | L | C | -0.7491 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.1603 | |
| 210 | E | C | -0.5103 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | -0.5598 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -0.7649 | |
| 218 | K | C | -0.6657 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.0895 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.5184 | |
| 226 | V | C | -0.2769 | |
| 227 | Y | C | -0.0062 | |
| 228 | G | C | -0.3593 | |
| 229 | S | C | -0.7891 | |
| 230 | S | C | 0.0000 | |
| 231 | V | C | 0.0000 | |
| 232 | I | C | 0.0000 | |
| 233 | Y | C | 0.0000 | |
| 234 | M | C | 0.0000 | |
| 235 | V | C | 0.0000 | |
| 236 | Q | C | 0.0000 | |
| 237 | L | C | 0.0000 | |
| 238 | P | C | 0.0000 | |
| 239 | I | C | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.1612 | |
| 242 | V | C | 0.0268 | |
| 243 | I | C | -0.5097 | |
| 244 | D | C | -1.6219 | |
| 245 | T | C | -0.8688 | |
| 246 | P | C | -0.7107 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.2205 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | 0.0000 | |
| 252 | A | C | -0.2737 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.2369 | |
| 257 | S | C | -1.3615 | |
| 258 | E | C | -2.7716 | |
| 259 | K | C | -3.6719 | |
| 260 | K | C | -3.2892 | |
| 261 | G | C | -2.6667 | |
| 262 | N | C | -2.8544 | |
| 263 | Y | C | -1.6910 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | -0.0099 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.9149 | |
| 270 | D | C | -1.1737 | |
| 271 | Q | C | -1.4955 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.6283 | |
| 277 | N | C | -0.5702 | |
| 278 | A | C | -0.3272 | |
| 279 | G | C | -0.5866 | |
| 280 | S | C | -0.7211 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0328 | |
| 284 | Y | C | -0.5215 | |
| 285 | P | C | -1.2262 | |
| 286 | N | C | -1.8740 | |
| 287 | E | C | 0.0000 | |
| 288 | K | C | -2.2348 | |
| 289 | D | C | -1.3834 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | -0.9522 | |
| 293 | R | C | -1.3548 | |
| 294 | G | C | 0.0000 | |
| 295 | D | C | -2.0255 | |
| 296 | H | C | -1.4254 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.4998 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.1297 | |
| 303 | A | C | 0.0065 | |
| 304 | G | C | 0.1014 | |
| 305 | I | C | 0.5087 | |
| 306 | N | C | -0.1666 | |
| 307 | V | C | -0.2454 | |
| 308 | A | C | -0.7064 | |
| 309 | E | C | -1.0024 | |
| 310 | Q | C | -0.9662 | |
| 311 | S | C | 0.0000 | |
| 312 | K | C | -0.8237 | |
| 313 | E | C | -0.9080 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | -0.3055 | |
| 317 | N | C | -0.8609 | |
| 318 | I | C | 0.0000 | |
| 319 | S | C | -0.4868 | |
| 320 | T | C | -0.3192 | |
| 321 | T | C | -0.3917 | |
| 322 | N | C | -0.3793 | |
| 323 | Y | C | 0.0016 | |
| 324 | P | C | -0.2453 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.5482 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.2652 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | 0.0000 | |
| 331 | R | C | -0.5943 | |
| 332 | H | C | -0.5239 | |
| 333 | P | C | -0.0945 | |
| 334 | I | C | 0.4140 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.3212 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | -0.0006 | |
| 339 | L | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | G | C | 0.0000 | |
| 344 | A | C | 0.0000 | |
| 345 | L | C | 0.0000 | |
| 346 | V | C | 0.0000 | |
| 347 | A | C | 0.0000 | |
| 348 | C | C | 0.0000 | |
| 349 | Y | C | -1.2834 | |
| 350 | K | C | -2.4356 | |
| 351 | G | C | -1.4517 | |
| 352 | V | C | -0.9724 | |
| 353 | S | C | -1.4289 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.6879 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | -0.3436 | |
| 358 | S | C | 0.0000 | |
| 359 | N | C | -1.6787 | |
| 360 | R | C | -2.1003 | |
| 361 | V | C | 0.0284 | |
| 362 | G | C | -0.0180 | |
| 363 | I | C | 0.5673 | |
| 364 | I | C | 1.4353 | |
| 365 | K | C | -0.4420 | |
| 366 | Q | C | -1.4937 | |
| 367 | L | C | -1.5154 | |
| 368 | N | C | -2.6852 | |
| 369 | K | C | -2.2368 | |
| 370 | G | C | -1.3805 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | 0.0000 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | -0.4345 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -1.0802 | |
| 378 | D | C | -0.6601 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | -0.5844 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.2547 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -0.9779 | |
| 386 | N | C | -0.4934 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.3758 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0541 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | 0.0000 | |
| 394 | V | C | 0.6193 | |
| 395 | E | C | -1.1012 | |
| 396 | G | C | -1.8190 | |
| 397 | E | C | -2.7901 | |
| 398 | Q | C | -1.8537 | |
| 399 | H | C | -0.7006 | |
| 400 | V | C | 0.8713 | |
| 401 | I | C | -0.1851 | |
| 402 | K | C | -1.7231 | |
| 403 | G | C | -1.7450 | |
| 404 | R | C | -1.6757 | |
| 405 | P | C | -1.0593 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -1.1437 | |
| 409 | S | C | -0.6299 | |
| 410 | F | C | -0.3393 | |
| 411 | D | C | -1.5088 | |
| 412 | P | C | 0.0000 | |
| 413 | V | C | 0.4235 | |
| 414 | K | C | 0.0000 | |
| 415 | F | C | 1.5241 | |
| 416 | P | C | 0.0000 | |
| 417 | E | C | 0.0000 | |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.0976 | |
| 421 | N | C | -0.3896 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | P | C | -0.1425 | |
| 426 | Q | C | -0.8362 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.1334 | |
| 429 | E | C | -1.2273 | |
| 430 | N | C | 0.0000 | |
| 431 | I | C | -0.8725 | |
| 432 | E | C | -2.2244 | |
| 433 | N | C | -1.6022 | |
| 434 | S | C | 0.0000 | |
| 435 | Q | C | -1.9074 | |
| 436 | A | C | -1.8618 | |
| 437 | W | C | 0.0000 | |
| 438 | V | C | -1.1079 | |
| 439 | D | C | -2.6257 | |
| 440 | Q | C | -2.0486 | |
| 441 | F | C | -1.3978 | |
| 442 | N | C | -2.6557 | |
| 443 | R | C | -2.9863 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.6933 | |
| 446 | S | C | -2.2524 | |
| 447 | S | C | -2.2018 | |
| 448 | A | C | 0.0000 | |
| 449 | E | C | -3.1719 | |
| 450 | K | C | -2.8815 | |
| 451 | G | C | -1.9801 | |
| 452 | N | C | -2.0720 | |
| 453 | T | C | -1.0784 |
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, -0.5967 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_3 | -0.5967 | View | CSV | PDB |
| model_4 | -0.6116 | View | CSV | PDB |
| model_1 | -0.6233 | View | CSV | PDB |
| model_2 | -0.6271 | View | CSV | PDB |
| model_7 | -0.6348 | View | CSV | PDB |
| CABS_average | -0.6398 | View | CSV | PDB |
| input | -0.642 | View | CSV | PDB |
| model_5 | -0.6428 | View | CSV | PDB |
| model_9 | -0.6451 | View | CSV | PDB |
| model_6 | -0.6537 | View | CSV | PDB |
| model_10 | -0.6547 | View | CSV | PDB |
| model_11 | -0.6576 | View | CSV | PDB |
| model_0 | -0.6584 | View | CSV | PDB |
| model_8 | -0.6714 | 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