Project name: MPV_sd_185P453P_437W441F_205Y208I209H1210Y216Y [mutate: DP149A, DP149C, DP149B, EP417A, EP417C, EP417B, TC91A, NC117A, TC91C, NC117C, TC91B, NC117B, LW437A, LW437C, LW437B, SF441A, SF441C, SF441B, RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180B, AY180C, AY180A]
Status: done
Started: 2025-12-13 09:49:48
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT 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,AY180C,NC117A,TC91B,SF441B,DH173A,SI172A,TC91A,TC91C,DP149A,SF441A,NY174B,DH173C,SI172C,NY174C,LW437A,NC117C,SF441C,AY180A,RY169B,EP417B,DP149B,EP417A,AY180B,NC117B,LW437B,RY169A,EP417C,RY169C,DP149C,NY174A,LW437C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.84919 kcal/mol |
| 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] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:29:54)
[INFO] CABS: Running CABS flex simulation (01:11:11)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:44:32)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:45:01)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:45:30)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:45:56)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:46:25)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:46:53)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:47:22)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:47:51)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:48:19)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:48:48)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:49:18)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:49:47)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:50:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:51:17)
[INFO] Main: Simulation completed successfully. (08:51:45)
|
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
- -4.1517
- Maximal score value
- 1.8926
- Average score
- -0.6315
- Total score value
- -858.2129
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 | -0.0284 | |
| 2 | K | A | -1.3409 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | Y | A | 0.1041 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.8025 | |
| 8 | E | A | -1.7581 | |
| 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 | -0.1962 | |
| 16 | G | A | -0.1115 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.4008 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.1150 | |
| 24 | G | A | -0.2497 | |
| 25 | W | A | -0.1995 | |
| 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 | -1.2012 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -3.1012 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -3.4554 | |
| 39 | N | A | -3.2574 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.8839 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.0794 | |
| 44 | D | A | -2.0105 | |
| 45 | G | A | -1.2914 | |
| 46 | P | A | -0.9357 | |
| 47 | S | A | -0.4930 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.2736 | |
| 55 | L | A | -0.4375 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -2.1709 | |
| 58 | S | A | -1.4759 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -2.8142 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.2582 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | -0.4648 | |
| 67 | S | A | -0.4397 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -0.7265 | |
| 70 | Q | A | -0.6793 | |
| 71 | L | A | -0.3752 | |
| 72 | G | A | -0.2397 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -0.5699 | |
| 77 | A | A | -0.0381 | |
| 78 | T | A | -0.1012 | |
| 79 | A | A | 0.0605 | |
| 80 | A | A | 0.1340 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.2501 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | -0.0098 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -1.4452 | |
| 91 | C | A | 0.0000 | mutated: TC91A |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -2.0062 | |
| 94 | L | A | -0.7130 | |
| 95 | E | A | -1.8836 | |
| 96 | S | A | -1.0238 | |
| 97 | E | A | -0.9232 | |
| 98 | V | A | -0.8959 | |
| 99 | T | A | -0.9211 | |
| 100 | A | A | -0.9641 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.5717 | |
| 103 | N | A | -1.9766 | |
| 104 | A | A | -1.7029 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.2802 | |
| 107 | K | A | -3.2417 | |
| 108 | T | A | -2.3141 | |
| 109 | N | A | -2.6285 | |
| 110 | E | A | -1.6744 | |
| 111 | A | A | -0.4228 | |
| 112 | V | A | 1.1116 | |
| 113 | S | A | 0.2284 | |
| 114 | T | A | -0.5761 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -1.1253 | |
| 117 | C | A | 0.0000 | mutated: NC117A |
| 118 | G | A | -1.1782 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -1.4780 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | V | A | -1.6010 | |
| 127 | R | A | -2.8160 | |
| 128 | E | A | -2.0308 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.8419 | |
| 131 | D | A | -3.2595 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.5893 | |
| 135 | K | A | -3.0497 | |
| 136 | N | A | -2.5854 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.4236 | |
| 139 | R | A | -2.9229 | |
| 140 | A | A | -2.5593 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.3444 | |
| 143 | K | A | -4.1517 | |
| 144 | N | A | -3.2260 | |
| 145 | K | A | -3.1389 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -1.6364 | |
| 148 | I | A | -0.1818 | |
| 149 | P | A | -0.9375 | mutated: DP149A |
| 150 | D | A | -2.0588 | |
| 151 | L | A | -1.4401 | |
| 152 | K | A | -1.5706 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | -0.1577 | |
| 156 | S | A | -0.4191 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.0769 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.4026 | |
| 163 | R | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.2114 | |
| 166 | N | A | 0.0116 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | 0.4712 | mutated: RY169A |
| 170 | Q | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | -0.3044 | mutated: DH173A |
| 174 | Y | A | -0.1519 | mutated: NY174A |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.0177 | |
| 180 | Y | A | 0.1779 | mutated: AY180A |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.2557 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.3915 | |
| 188 | D | A | -0.8357 | |
| 189 | A | A | -0.5318 | |
| 190 | E | A | -0.8255 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.0010 | |
| 193 | R | A | -1.7612 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.4645 | |
| 197 | N | A | -1.6488 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.6677 | |
| 200 | T | A | -0.5426 | |
| 201 | S | A | -0.6634 | |
| 202 | A | A | -0.6140 | |
| 203 | G | A | -0.4412 | |
| 204 | Q | A | 0.0000 | |
| 205 | I | A | -0.8157 | |
| 206 | K | A | -1.6414 | |
| 207 | L | A | -0.6641 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.6692 | |
| 210 | E | A | -1.8938 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.9931 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | K | A | -0.2968 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.1569 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0795 | |
| 225 | G | A | 0.1039 | |
| 226 | V | A | 0.3504 | |
| 227 | Y | A | 1.0244 | |
| 228 | G | A | -0.1496 | |
| 229 | S | A | -0.6963 | |
| 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 | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0685 | |
| 242 | V | A | 0.3666 | |
| 243 | I | A | -0.0611 | |
| 244 | D | A | -1.3449 | |
| 245 | T | A | -0.6940 | |
| 246 | P | A | -0.5133 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.0088 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.9685 | |
| 252 | A | A | -0.5382 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.6969 | |
| 257 | S | A | 0.0000 | |
| 258 | E | A | -3.2379 | |
| 259 | K | A | -3.3264 | |
| 260 | K | A | -2.8783 | |
| 261 | G | A | -1.9376 | |
| 262 | N | A | -1.9994 | |
| 263 | Y | A | -1.6295 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -0.0978 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.3340 | |
| 270 | D | A | -1.3891 | |
| 271 | Q | A | -1.9998 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.6659 | |
| 277 | N | A | -0.7722 | |
| 278 | A | A | -0.6156 | |
| 279 | G | A | -0.7360 | |
| 280 | S | A | -0.8121 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0190 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.5038 | |
| 286 | N | A | -2.2959 | |
| 287 | E | A | -2.6879 | |
| 288 | K | A | -2.7478 | |
| 289 | D | A | -1.7356 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.3242 | |
| 292 | T | A | -1.1172 | |
| 293 | R | A | -1.0941 | |
| 294 | G | A | -1.2298 | |
| 295 | D | A | -1.6356 | |
| 296 | H | A | -1.2939 | |
| 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 | 0.1601 | |
| 303 | A | A | 0.0000 | |
| 304 | G | A | -0.2873 | |
| 305 | I | A | 0.2004 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0195 | |
| 308 | A | A | -0.2914 | |
| 309 | E | A | -0.9171 | |
| 310 | Q | A | -0.9050 | |
| 311 | S | A | -0.6441 | |
| 312 | K | A | -0.6145 | |
| 313 | E | A | -0.2957 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 1.0069 | |
| 317 | N | A | 0.0481 | |
| 318 | I | A | 0.0636 | |
| 319 | S | A | -0.2005 | |
| 320 | T | A | -0.4871 | |
| 321 | T | A | -0.9328 | |
| 322 | N | A | -1.8435 | |
| 323 | Y | A | 0.0000 | |
| 324 | P | A | -1.2381 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -1.2467 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.4388 | |
| 329 | T | A | -0.5728 | |
| 330 | G | A | -0.5745 | |
| 331 | R | A | -0.8533 | |
| 332 | H | A | -0.4939 | |
| 333 | P | A | 0.0744 | |
| 334 | I | A | 0.2989 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.3782 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.2380 | |
| 340 | S | A | 0.2403 | |
| 341 | P | A | 0.1770 | |
| 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 | -1.2159 | |
| 350 | K | A | -2.3598 | |
| 351 | G | A | -1.3604 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.3724 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.3569 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | -0.8066 | |
| 359 | N | A | -1.5800 | |
| 360 | R | A | -1.7933 | |
| 361 | V | A | 0.6469 | |
| 362 | G | A | 0.7880 | |
| 363 | I | A | 1.6874 | |
| 364 | I | A | 1.1003 | |
| 365 | K | A | -1.3889 | |
| 366 | Q | A | -1.6436 | |
| 367 | L | A | -1.9957 | |
| 368 | N | A | -2.8802 | |
| 369 | K | A | -2.8375 | |
| 370 | G | A | -1.7635 | |
| 371 | C | A | -0.7019 | |
| 372 | S | A | -0.8812 | |
| 373 | Y | A | 0.0000 | |
| 374 | I | A | -0.1992 | |
| 375 | T | A | -0.8698 | |
| 376 | N | A | 0.0000 | |
| 377 | Q | A | -2.1300 | |
| 378 | D | A | -1.0196 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -1.1923 | |
| 381 | T | A | -0.3006 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.2470 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | N | A | -0.3912 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.0886 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | -0.3179 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.8563 | |
| 393 | K | A | -0.3646 | |
| 394 | V | A | -0.0027 | |
| 395 | E | A | -1.7005 | |
| 396 | G | A | -1.3426 | |
| 397 | E | A | -2.1505 | |
| 398 | Q | A | -1.3152 | |
| 399 | H | A | -0.4843 | |
| 400 | V | A | 0.5937 | |
| 401 | I | A | 0.2351 | |
| 402 | K | A | -1.7034 | |
| 403 | G | A | -1.4214 | |
| 404 | R | A | -2.3938 | |
| 405 | P | A | 0.0000 | |
| 406 | V | A | -0.1968 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.3553 | |
| 409 | S | A | -0.8574 | |
| 410 | F | A | -0.8891 | |
| 411 | D | A | -2.4475 | |
| 412 | P | A | -1.6838 | |
| 413 | V | A | -1.6324 | |
| 414 | K | A | -1.8875 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.5322 | |
| 417 | P | A | -0.4610 | mutated: EP417A |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | N | A | -0.6831 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | -1.1339 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -1.3489 | |
| 426 | Q | A | -1.4831 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -0.5808 | |
| 429 | E | A | -2.3340 | |
| 430 | N | A | -1.9952 | |
| 431 | I | A | -1.7511 | |
| 432 | E | A | -2.3229 | |
| 433 | N | A | -2.4021 | |
| 434 | S | A | -1.8887 | |
| 435 | Q | A | -2.0260 | |
| 436 | A | A | -1.6475 | |
| 437 | W | A | -0.7356 | mutated: LW437A |
| 438 | V | A | -1.0448 | |
| 439 | D | A | -2.8174 | |
| 440 | Q | A | -1.9311 | |
| 441 | F | A | 0.0000 | mutated: SF441A |
| 442 | N | A | -2.5403 | |
| 443 | R | A | -3.0689 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.6900 | |
| 446 | S | A | -2.1750 | |
| 447 | S | A | -1.9885 | |
| 448 | A | A | -1.9448 | |
| 449 | E | A | -2.9074 | |
| 450 | K | A | -2.7951 | |
| 451 | G | A | -2.2456 | |
| 452 | N | A | -2.3984 | |
| 453 | T | A | -1.2668 | |
| 1 | L | B | -0.4744 | |
| 2 | K | B | -2.1850 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -0.8108 | |
| 8 | E | B | -1.0408 | |
| 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 | -1.1457 | |
| 16 | G | B | -0.7643 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | -0.6490 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | -0.1317 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | -0.2817 | |
| 23 | T | B | -0.1208 | |
| 24 | G | B | 0.0432 | |
| 25 | W | B | -0.1729 | |
| 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 | -0.9556 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.6408 | |
| 36 | D | B | -2.3752 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -2.4520 | |
| 39 | N | B | -2.4562 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -1.7244 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -1.7232 | |
| 44 | D | B | -2.5545 | |
| 45 | G | B | -1.9439 | |
| 46 | P | B | -1.3498 | |
| 47 | S | B | -0.7592 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.8622 | |
| 51 | T | B | -1.1358 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.9384 | |
| 55 | L | B | -0.9843 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.5703 | |
| 58 | S | B | -1.4636 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -1.1295 | |
| 61 | R | B | -1.9656 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.9380 | |
| 65 | T | B | -1.2723 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -0.6404 | |
| 70 | Q | B | -0.4661 | |
| 71 | L | B | -0.1363 | |
| 72 | G | B | 0.1159 | |
| 73 | G | B | 0.0000 | |
| 74 | G | B | -0.4942 | |
| 75 | G | B | -0.2422 | |
| 76 | S | B | -0.2440 | |
| 77 | A | B | -0.0578 | |
| 78 | T | B | 0.0739 | |
| 79 | A | B | 0.5198 | |
| 80 | A | B | 0.0000 | |
| 81 | A | B | 0.8680 | |
| 82 | V | B | 1.8926 | |
| 83 | T | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.4172 | |
| 87 | A | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -0.5984 | |
| 91 | C | B | -0.5348 | mutated: TC91B |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.5757 | |
| 94 | L | B | -0.7387 | |
| 95 | E | B | -1.8691 | |
| 96 | S | B | -1.3986 | |
| 97 | E | B | -1.3231 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -1.4839 | |
| 100 | A | B | -1.3264 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -2.7214 | |
| 103 | N | B | -2.8192 | |
| 104 | A | B | -1.8887 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.6236 | |
| 107 | K | B | -3.3050 | |
| 108 | T | B | -2.0347 | |
| 109 | N | B | -2.4087 | |
| 110 | E | B | -1.5738 | |
| 111 | A | B | -0.1369 | |
| 112 | V | B | 1.1524 | |
| 113 | S | B | 0.2073 | |
| 114 | T | B | -0.4886 | |
| 115 | L | B | -0.4923 | |
| 116 | G | B | -1.0098 | |
| 117 | C | B | -0.8872 | mutated: NC117B |
| 118 | G | B | -1.0877 | |
| 119 | V | B | -0.9669 | |
| 120 | R | B | -1.4207 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | -0.4629 | |
| 127 | R | B | -1.3053 | |
| 128 | E | B | -1.3262 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.0598 | |
| 131 | D | B | -2.3529 | |
| 132 | F | B | -1.6721 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.0619 | |
| 135 | K | B | -2.5370 | |
| 136 | N | B | -2.1147 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.1575 | |
| 139 | R | B | -3.0349 | |
| 140 | A | B | 0.0000 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.8498 | |
| 143 | K | B | -4.0245 | |
| 144 | N | B | -3.8114 | |
| 145 | K | B | -3.6804 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -3.0410 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.9170 | mutated: DP149B |
| 150 | D | B | -2.4708 | |
| 151 | L | B | 0.0000 | |
| 152 | K | B | -1.1355 | |
| 153 | M | B | -0.6530 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | -0.1373 | |
| 156 | S | B | -0.1403 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.1880 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.7985 | |
| 163 | R | B | -0.7850 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.2360 | |
| 166 | N | B | -0.8378 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | -0.0959 | mutated: RY169B |
| 170 | Q | B | -0.2213 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | -0.1557 | mutated: DH173B |
| 174 | Y | B | 0.0000 | mutated: NY174B |
| 175 | A | B | -0.1541 | |
| 176 | G | B | 0.1081 | |
| 177 | I | B | 0.5093 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.1319 | |
| 180 | Y | B | -0.0869 | mutated: AY180B |
| 181 | I | B | 0.0000 | |
| 182 | S | B | -0.2580 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.5956 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.4883 | |
| 188 | D | B | -0.6876 | |
| 189 | A | B | -0.2954 | |
| 190 | E | B | -0.6274 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -0.3779 | |
| 193 | R | B | -0.6328 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -0.4664 | |
| 197 | N | B | 0.1119 | |
| 198 | M | B | 0.4058 | |
| 199 | P | B | 0.0201 | |
| 200 | T | B | 0.0717 | |
| 201 | S | B | -0.3476 | |
| 202 | A | B | -0.5193 | |
| 203 | G | B | -0.9906 | |
| 204 | Q | B | -0.9214 | |
| 205 | I | B | -0.8476 | |
| 206 | K | B | -2.0488 | |
| 207 | L | B | -1.0839 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -1.2236 | |
| 210 | E | B | -2.3697 | |
| 211 | N | B | -1.3701 | |
| 212 | R | B | -1.2254 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -1.1392 | |
| 218 | K | B | -0.7408 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.4717 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.5639 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.6337 | |
| 226 | V | B | -0.4415 | |
| 227 | Y | B | -0.4015 | |
| 228 | G | B | -0.5110 | |
| 229 | S | B | -0.6738 | |
| 230 | S | B | -0.2925 | |
| 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 | 0.2201 | |
| 237 | L | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | I | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | -0.0861 | |
| 242 | V | B | -0.0347 | |
| 243 | I | B | -0.4028 | |
| 244 | D | B | -1.5021 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.6792 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | -0.3559 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | 0.0000 | |
| 252 | A | B | -0.1515 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.8203 | |
| 257 | S | B | -1.3126 | |
| 258 | E | B | -2.2599 | |
| 259 | K | B | -2.8600 | |
| 260 | K | B | -3.0084 | |
| 261 | G | B | -1.9458 | |
| 262 | N | B | -2.0254 | |
| 263 | Y | B | -1.6815 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.0702 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -0.8783 | |
| 270 | D | B | 0.0000 | |
| 271 | Q | B | -0.9214 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.6550 | |
| 277 | N | B | -0.5452 | |
| 278 | A | B | -0.5065 | |
| 279 | G | B | -0.8019 | |
| 280 | S | B | 0.0000 | |
| 281 | T | B | -0.6615 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0000 | |
| 284 | Y | B | -0.3844 | |
| 285 | P | B | -0.7550 | |
| 286 | N | B | -1.3713 | |
| 287 | E | B | -1.6452 | |
| 288 | K | B | -2.1936 | |
| 289 | D | B | 0.0000 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -0.9931 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -0.8697 | |
| 294 | G | B | -1.0326 | |
| 295 | D | B | -1.2253 | |
| 296 | H | B | -0.8835 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | -0.1601 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.6609 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0000 | |
| 303 | A | B | -0.0676 | |
| 304 | G | B | -0.0286 | |
| 305 | I | B | 0.2123 | |
| 306 | N | B | -0.3814 | |
| 307 | V | B | 0.0632 | |
| 308 | A | B | -0.5908 | |
| 309 | E | B | -1.1826 | |
| 310 | Q | B | -1.0974 | |
| 311 | S | B | -1.0186 | |
| 312 | K | B | -1.0323 | |
| 313 | E | B | -1.2277 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | -0.0546 | |
| 316 | I | B | 0.3907 | |
| 317 | N | B | -0.2500 | |
| 318 | I | B | 0.3418 | |
| 319 | S | B | -0.2160 | |
| 320 | T | B | -0.2078 | |
| 321 | T | B | -0.4324 | |
| 322 | N | B | -1.0771 | |
| 323 | Y | B | -0.4926 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -1.1733 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.1887 | |
| 329 | T | B | -0.4057 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | -2.0365 | |
| 332 | H | B | -1.3720 | |
| 333 | P | B | -0.8451 | |
| 334 | I | B | 0.1445 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.3503 | |
| 337 | V | B | 0.3996 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.0000 | |
| 342 | L | B | -0.1501 | |
| 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 | -1.3193 | |
| 350 | K | B | -2.4282 | |
| 351 | G | B | -1.3958 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.3989 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.6392 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | -0.0731 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -0.9543 | |
| 360 | R | B | -1.4271 | |
| 361 | V | B | 0.8587 | |
| 362 | G | B | 0.5254 | |
| 363 | I | B | 1.1933 | |
| 364 | I | B | 1.3003 | |
| 365 | K | B | -1.1928 | |
| 366 | Q | B | -1.6792 | |
| 367 | L | B | -1.5481 | |
| 368 | N | B | -2.0390 | |
| 369 | K | B | -2.0005 | |
| 370 | G | B | -1.3008 | |
| 371 | C | B | 0.0000 | |
| 372 | S | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | 0.0000 | |
| 376 | N | B | -2.6811 | |
| 377 | Q | B | -1.5903 | |
| 378 | D | B | -1.4344 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.4902 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.2497 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.2946 | |
| 386 | N | B | -0.6713 | |
| 387 | T | B | -0.0944 | |
| 388 | V | B | 0.4825 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | -0.0254 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | K | B | -1.2333 | |
| 394 | V | B | -1.7131 | |
| 395 | E | B | -2.5854 | |
| 396 | G | B | -2.4094 | |
| 397 | E | B | -3.0534 | |
| 398 | Q | B | -2.4607 | |
| 399 | H | B | -1.4867 | |
| 400 | V | B | -0.1840 | |
| 401 | I | B | 0.0000 | |
| 402 | K | B | -1.5073 | |
| 403 | G | B | 0.0000 | |
| 404 | R | B | 0.0000 | |
| 405 | P | B | -0.5729 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -0.8710 | |
| 409 | S | B | -0.2590 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.2052 | |
| 412 | P | B | -0.7762 | |
| 413 | V | B | -0.7174 | |
| 414 | K | B | -1.2451 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.7710 | |
| 417 | P | B | 0.0000 | mutated: EP417B |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.0093 | |
| 421 | N | B | -0.6028 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | D | B | -0.1665 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.4163 | |
| 429 | E | B | -0.8773 | |
| 430 | N | B | -0.9693 | |
| 431 | I | B | -1.0320 | |
| 432 | E | B | -2.1146 | |
| 433 | N | B | -1.3470 | |
| 434 | S | B | -1.1368 | |
| 435 | Q | B | -1.3601 | |
| 436 | A | B | -1.1262 | |
| 437 | W | B | -0.5172 | mutated: LW437B |
| 438 | V | B | -0.2673 | |
| 439 | D | B | -1.8506 | |
| 440 | Q | B | -1.3971 | |
| 441 | F | B | -0.7989 | mutated: SF441B |
| 442 | N | B | -2.1633 | |
| 443 | R | B | -2.6342 | |
| 444 | I | B | -1.1248 | |
| 445 | L | B | -1.3467 | |
| 446 | S | B | -2.0622 | |
| 447 | S | B | -1.9903 | |
| 448 | A | B | -1.9094 | |
| 449 | E | B | -3.0558 | |
| 450 | K | B | -2.9510 | |
| 451 | G | B | -2.0189 | |
| 452 | N | B | -1.8474 | |
| 453 | T | B | -1.2030 | |
| 1 | L | C | -0.3282 | |
| 2 | K | C | -1.6125 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | -0.2710 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.3349 | |
| 8 | E | C | -1.4949 | |
| 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 | -0.7170 | |
| 16 | G | C | -0.4251 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.5009 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0159 | |
| 23 | T | C | 0.0323 | |
| 24 | G | C | 0.1626 | |
| 25 | W | C | -0.0844 | |
| 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 | -1.1867 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -1.4574 | |
| 36 | D | C | -1.7966 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -1.7803 | |
| 39 | N | C | -2.0798 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -1.3432 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -1.7028 | |
| 44 | D | C | -2.2687 | |
| 45 | G | C | -1.6753 | |
| 46 | P | C | -1.2430 | |
| 47 | S | C | -0.8046 | |
| 48 | L | C | -0.3448 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | 0.0000 | |
| 51 | T | C | 0.0000 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -2.0746 | |
| 55 | L | C | -0.9119 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.7766 | |
| 58 | S | C | -1.5910 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.5860 | |
| 61 | R | C | -2.5433 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.5264 | |
| 65 | T | C | -1.7357 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -1.1015 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -1.2873 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.3516 | |
| 73 | G | C | -0.4808 | |
| 74 | G | C | -0.9441 | |
| 75 | G | C | -0.9016 | |
| 76 | S | C | -0.6143 | |
| 77 | A | C | -0.3270 | |
| 78 | T | C | -0.3487 | |
| 79 | A | C | 0.0899 | |
| 80 | A | C | 0.0000 | |
| 81 | A | C | 0.2110 | |
| 82 | V | C | 0.2876 | |
| 83 | T | C | 0.3986 | |
| 84 | A | C | -0.0148 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.1782 | |
| 87 | A | C | -0.3697 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.5178 | |
| 91 | C | C | -0.7486 | mutated: TC91C |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.4325 | |
| 94 | L | C | -0.3809 | |
| 95 | E | C | -1.7079 | |
| 96 | S | C | -0.9752 | |
| 97 | E | C | -1.1307 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -1.4130 | |
| 100 | A | C | -1.3828 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -2.4121 | |
| 103 | N | C | -2.5614 | |
| 104 | A | C | -1.7898 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -2.7803 | |
| 107 | K | C | -2.7955 | |
| 108 | T | C | -1.5991 | |
| 109 | N | C | -2.0667 | |
| 110 | E | C | -1.4495 | |
| 111 | A | C | -0.3625 | |
| 112 | V | C | 1.1340 | |
| 113 | S | C | 0.2132 | |
| 114 | T | C | -0.4176 | |
| 115 | L | C | -0.4324 | |
| 116 | G | C | -1.2203 | |
| 117 | C | C | -1.2032 | mutated: NC117C |
| 118 | G | C | -1.5387 | |
| 119 | V | C | -1.0305 | |
| 120 | R | C | -1.4039 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | -0.7936 | |
| 125 | A | C | 0.0000 | |
| 126 | V | C | -0.7297 | |
| 127 | R | C | -1.7104 | |
| 128 | E | C | -1.3453 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -1.7480 | |
| 131 | D | C | -1.9636 | |
| 132 | F | C | -1.2484 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -1.6382 | |
| 135 | K | C | -1.8186 | |
| 136 | N | C | -1.9639 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.2899 | |
| 139 | R | C | -3.3915 | |
| 140 | A | C | 0.0000 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.7230 | |
| 143 | K | C | -4.0748 | |
| 144 | N | C | -3.8545 | |
| 145 | K | C | -4.0046 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -2.6097 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -2.0838 | mutated: DP149C |
| 150 | D | C | -2.7687 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.4279 | |
| 153 | M | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | -0.1807 | |
| 156 | S | C | -0.2788 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.2835 | |
| 159 | Q | C | -0.3513 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.7513 | |
| 163 | R | C | -0.6805 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.1630 | |
| 166 | N | C | -0.4780 | |
| 167 | V | C | -0.1638 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | 0.0625 | mutated: RY169C |
| 170 | Q | C | -0.0634 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.0115 | mutated: DH173C |
| 174 | Y | C | 0.2398 | mutated: NY174C |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | 0.0000 | |
| 180 | Y | C | 0.1288 | mutated: AY180C |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.4760 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.2161 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.6996 | |
| 190 | E | C | -1.0537 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -0.4999 | |
| 193 | R | C | -1.3459 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -0.3926 | |
| 197 | N | C | 0.1230 | |
| 198 | M | C | 0.4765 | |
| 199 | P | C | 0.1278 | |
| 200 | T | C | 0.0010 | |
| 201 | S | C | -0.2232 | |
| 202 | A | C | -0.4116 | |
| 203 | G | C | -0.7058 | |
| 204 | Q | C | -0.4954 | |
| 205 | I | C | -0.3292 | |
| 206 | K | C | -1.5738 | |
| 207 | L | C | -0.8248 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | 0.0344 | |
| 210 | E | C | -1.5089 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | -0.4999 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -0.5583 | |
| 218 | K | C | 0.0000 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.0000 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.6637 | |
| 226 | V | C | 0.0000 | |
| 227 | Y | C | -0.3939 | |
| 228 | G | C | -0.5597 | |
| 229 | S | C | -0.8750 | |
| 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 | 0.4237 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.0225 | |
| 242 | V | C | 0.3550 | |
| 243 | I | C | -0.0960 | |
| 244 | D | C | -1.2895 | |
| 245 | T | C | -0.5587 | |
| 246 | P | C | -0.4838 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.0444 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | 0.0000 | |
| 252 | A | C | -0.5668 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.5107 | |
| 257 | S | C | 0.0000 | |
| 258 | E | C | -3.1390 | |
| 259 | K | C | -3.4630 | |
| 260 | K | C | -3.1732 | |
| 261 | G | C | -2.3435 | |
| 262 | N | C | 0.0000 | |
| 263 | Y | C | -1.7067 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.4738 | |
| 267 | L | C | 0.0843 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | 0.0000 | |
| 270 | D | C | -2.2970 | |
| 271 | Q | C | -2.0032 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0373 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.6724 | |
| 277 | N | C | 0.0000 | |
| 278 | A | C | -0.3024 | |
| 279 | G | C | -0.7612 | |
| 280 | S | C | -0.7247 | |
| 281 | T | C | -0.7717 | |
| 282 | V | C | -0.0676 | |
| 283 | Y | C | 0.3156 | |
| 284 | Y | C | 0.0000 | |
| 285 | P | C | -1.5071 | |
| 286 | N | C | -2.3344 | |
| 287 | E | C | -3.1252 | |
| 288 | K | C | -2.5604 | |
| 289 | D | C | 0.0000 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | -0.9091 | |
| 292 | T | C | 0.0000 | |
| 293 | R | C | -1.0090 | |
| 294 | G | C | -1.2067 | |
| 295 | D | C | -1.6106 | |
| 296 | H | C | -1.1190 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | 0.0000 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.0000 | |
| 303 | A | C | -0.0444 | |
| 304 | G | C | -0.1853 | |
| 305 | I | C | 0.3376 | |
| 306 | N | C | 0.1864 | |
| 307 | V | C | 0.0581 | |
| 308 | A | C | 0.0000 | |
| 309 | E | C | -2.5720 | |
| 310 | Q | C | -1.8500 | |
| 311 | S | C | 0.0000 | |
| 312 | K | C | -1.7109 | |
| 313 | E | C | -0.9688 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.6763 | |
| 317 | N | C | 0.0000 | |
| 318 | I | C | 1.3653 | |
| 319 | S | C | 0.4240 | |
| 320 | T | C | -0.0048 | |
| 321 | T | C | -0.1130 | |
| 322 | N | C | 0.0000 | |
| 323 | Y | C | 0.0371 | |
| 324 | P | C | -0.6392 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.5021 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | 0.0000 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | -0.1441 | |
| 331 | R | C | 0.0000 | |
| 332 | H | C | -0.2042 | |
| 333 | P | C | -0.0456 | |
| 334 | I | C | 0.4555 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.3668 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | 0.0000 | |
| 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 | -1.4056 | |
| 350 | K | C | -2.4029 | |
| 351 | G | C | -1.3129 | |
| 352 | V | C | 0.0000 | |
| 353 | S | C | -1.7286 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.8937 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0127 | |
| 358 | S | C | 0.0000 | |
| 359 | N | C | -0.9142 | |
| 360 | R | C | -1.6267 | |
| 361 | V | C | 0.3251 | |
| 362 | G | C | 0.2680 | |
| 363 | I | C | 0.7688 | |
| 364 | I | C | 1.4125 | |
| 365 | K | C | -0.5720 | |
| 366 | Q | C | -1.4720 | |
| 367 | L | C | -1.2169 | |
| 368 | N | C | -2.5573 | |
| 369 | K | C | -2.5960 | |
| 370 | G | C | -1.6784 | |
| 371 | C | C | -0.7853 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | -0.0150 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | -0.9203 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -1.3457 | |
| 378 | D | C | -0.6864 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | -0.3187 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.5927 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.9620 | |
| 386 | N | C | -1.0512 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.0141 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0853 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -0.4979 | |
| 393 | K | C | 0.0000 | |
| 394 | V | C | 0.5254 | |
| 395 | E | C | -1.2981 | |
| 396 | G | C | -1.4416 | |
| 397 | E | C | -2.4073 | |
| 398 | Q | C | -1.5221 | |
| 399 | H | C | -0.6471 | |
| 400 | V | C | 0.9852 | |
| 401 | I | C | 0.3020 | |
| 402 | K | C | -1.3252 | |
| 403 | G | C | -0.9086 | |
| 404 | R | C | -1.5267 | |
| 405 | P | C | -1.2769 | |
| 406 | V | C | -0.5569 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.9703 | |
| 409 | S | C | -0.2117 | |
| 410 | F | C | 0.0000 | |
| 411 | D | C | -1.0104 | |
| 412 | P | C | -1.4248 | |
| 413 | V | C | 0.0000 | |
| 414 | K | C | -1.9685 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.7081 | |
| 417 | P | C | 0.0000 | mutated: EP417C |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.0040 | |
| 421 | N | C | -0.7991 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.1205 | |
| 425 | D | C | -0.1646 | |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.4573 | |
| 429 | E | C | -1.1113 | |
| 430 | N | C | -1.1881 | |
| 431 | I | C | 0.0000 | |
| 432 | E | C | -1.7232 | |
| 433 | N | C | -1.7791 | |
| 434 | S | C | -1.5520 | |
| 435 | Q | C | -1.8012 | |
| 436 | A | C | -1.6624 | |
| 437 | W | C | -1.2004 | mutated: LW437C |
| 438 | V | C | -1.4097 | |
| 439 | D | C | -2.9441 | |
| 440 | Q | C | -2.0662 | |
| 441 | F | C | 0.0000 | mutated: SF441C |
| 442 | N | C | -2.5836 | |
| 443 | R | C | -2.7191 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -0.9165 | |
| 446 | S | C | -1.7841 | |
| 447 | S | C | -2.2053 | |
| 448 | A | C | -1.9631 | |
| 449 | E | C | -2.7669 | |
| 450 | K | C | -2.9631 | |
| 451 | G | C | -2.1619 | |
| 452 | N | C | -2.1727 | |
| 453 | T | C | -1.3491 |
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, -0.6315 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_6 | -0.6315 | View | CSV | PDB |
| model_9 | -0.6489 | View | CSV | PDB |
| model_5 | -0.6572 | View | CSV | PDB |
| input | -0.6573 | View | CSV | PDB |
| model_0 | -0.6577 | View | CSV | PDB |
| model_11 | -0.6647 | View | CSV | PDB |
| CABS_average | -0.672 | View | CSV | PDB |
| model_8 | -0.6733 | View | CSV | PDB |
| model_4 | -0.6756 | View | CSV | PDB |
| model_2 | -0.6763 | View | CSV | PDB |
| model_1 | -0.6795 | View | CSV | PDB |
| model_10 | -0.6881 | View | CSV | PDB |
| model_7 | -0.7005 | View | CSV | PDB |
| model_3 | -0.7106 | 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