Project name: MPV_218T80I208T [mutate: ST182A, EI62A, SF172A, QE417A, EI62C, ST182C, SF172C, QE417C, EI62B, ST182B, SF172B, QE417B]
Status: done
Started: 2025-12-11 17:32:05
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT 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 | SF172B,QE417C,QE417B,ST182C,EI62B,SF172C,EI62C,EI62A,QE417A,SF172A,ST182B,ST182A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0124187 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:40:59)
[INFO] CABS: Running CABS flex simulation (00:52:08)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:00:34)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:01:04)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:01:33)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:02:03)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:02:33)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:03:02)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:03:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:04:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:04:30)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:04:59)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:05:28)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:05:57)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:06:26)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:07:28)
[INFO] Main: Simulation completed successfully. (10:07:57)
|
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
- -4.3637
- Maximal score value
- 1.9304
- Average score
- -0.6225
- Total score value
- -846.0343
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 | 0.3945 | |
| 2 | K | A | -1.3044 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.6600 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.7161 | |
| 8 | E | A | -2.2240 | |
| 9 | S | A | 0.0000 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0262 | |
| 14 | T | A | 0.0000 | |
| 15 | E | A | -0.3305 | |
| 16 | G | A | -0.3827 | |
| 17 | Y | A | -0.3602 | |
| 18 | L | A | -0.4795 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.0894 | |
| 24 | G | A | -0.1073 | |
| 25 | W | A | 0.0000 | |
| 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 | -1.1779 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.5185 | |
| 36 | D | A | -2.3587 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.8155 | |
| 39 | N | A | -2.3823 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.8035 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -3.0091 | |
| 44 | D | A | -3.4892 | |
| 45 | G | A | -2.8629 | |
| 46 | P | A | -1.8546 | |
| 47 | S | A | -1.4759 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.9253 | |
| 51 | T | A | -1.1435 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.6580 | |
| 55 | L | A | -0.9567 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.6178 | |
| 58 | S | A | -1.3874 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.1660 | |
| 61 | R | A | -2.3736 | |
| 62 | I | A | 0.0000 | mutated: EI62A |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.2794 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.6409 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -0.6159 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | -0.1970 | |
| 72 | G | A | -0.7199 | |
| 73 | G | A | -0.8662 | |
| 74 | G | A | -0.7651 | |
| 75 | G | A | -0.8414 | |
| 76 | S | A | -0.8517 | |
| 77 | A | A | -0.2352 | |
| 78 | T | A | -0.2862 | |
| 79 | A | A | 0.1084 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.3602 | |
| 83 | T | A | 0.2037 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.1735 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -0.1584 | |
| 91 | C | A | 0.1737 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -0.6731 | |
| 94 | L | A | 0.6381 | |
| 95 | P | A | -0.1026 | |
| 96 | S | A | -0.3596 | |
| 97 | E | A | -0.4635 | |
| 98 | V | A | -0.2253 | |
| 99 | T | A | -0.4253 | |
| 100 | A | A | -0.6734 | |
| 101 | I | A | -0.6101 | |
| 102 | K | A | -1.4819 | |
| 103 | N | A | -2.2405 | |
| 104 | A | A | -2.0014 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.7223 | |
| 107 | K | A | -3.5778 | |
| 108 | T | A | -2.4300 | |
| 109 | N | A | -3.0027 | |
| 110 | E | A | -2.5093 | |
| 111 | A | A | -1.1886 | |
| 112 | V | A | 0.6913 | |
| 113 | S | A | 0.2011 | |
| 114 | T | A | -0.3353 | |
| 115 | L | A | -0.2950 | |
| 116 | G | A | -0.8817 | |
| 117 | C | A | -0.6818 | |
| 118 | G | A | -0.7637 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -0.8846 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | -1.2626 | |
| 125 | A | A | -1.5883 | |
| 126 | V | A | -0.8913 | |
| 127 | P | A | -0.8621 | |
| 128 | E | A | -1.5278 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -3.1919 | |
| 131 | D | A | -3.2786 | |
| 132 | F | A | -2.4358 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.8117 | |
| 135 | K | A | -3.2200 | |
| 136 | N | A | -2.4640 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.8897 | |
| 139 | R | A | -3.0104 | |
| 140 | A | A | -2.8183 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.7665 | |
| 143 | K | A | -4.2822 | |
| 144 | N | A | -4.0445 | |
| 145 | K | A | -4.3637 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -3.3844 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.6721 | |
| 150 | D | A | -2.4298 | |
| 151 | L | A | -1.5213 | |
| 152 | K | A | -1.5298 | |
| 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 | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.5673 | |
| 163 | R | A | -0.5044 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.6176 | |
| 170 | Q | A | -0.6424 | |
| 171 | F | A | 0.0000 | |
| 172 | F | A | 0.0000 | mutated: SF172A |
| 173 | D | A | -1.0563 | |
| 174 | N | A | -1.3877 | |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.5136 | |
| 180 | A | A | -0.5124 | |
| 181 | I | A | -0.1030 | |
| 182 | T | A | 0.0000 | mutated: ST182A |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.2862 | |
| 185 | L | A | -0.0284 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.5109 | |
| 188 | D | A | -0.9389 | |
| 189 | A | A | -0.8049 | |
| 190 | E | A | -1.0968 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.3702 | |
| 193 | R | A | -2.0749 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.1687 | |
| 197 | N | A | -0.9416 | |
| 198 | M | A | -0.4140 | |
| 199 | P | A | -0.6035 | |
| 200 | T | A | -0.3470 | |
| 201 | S | A | -0.4210 | |
| 202 | A | A | -0.5739 | |
| 203 | G | A | -0.9326 | |
| 204 | Q | A | -0.6727 | |
| 205 | I | A | -0.8164 | |
| 206 | K | A | -1.8276 | |
| 207 | L | A | -0.8887 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.9317 | |
| 210 | E | A | -1.3076 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.4817 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.8368 | |
| 218 | K | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | 0.1534 | |
| 226 | V | A | 0.7928 | |
| 227 | Y | A | 1.2287 | |
| 228 | G | A | 0.1778 | |
| 229 | S | A | -0.4589 | |
| 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 | 0.2050 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.1210 | |
| 242 | V | A | 0.0672 | |
| 243 | I | A | -0.1510 | |
| 244 | D | A | -1.3161 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.5135 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | 0.2916 | |
| 249 | I | A | 0.3332 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.6011 | |
| 252 | A | A | -0.4123 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.7164 | |
| 257 | S | A | -1.5465 | |
| 258 | E | A | -2.7204 | |
| 259 | K | A | -3.3353 | |
| 260 | K | A | -2.8996 | |
| 261 | G | A | -2.1503 | |
| 262 | N | A | -2.5742 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -0.1449 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.8322 | |
| 270 | D | A | -2.1996 | |
| 271 | Q | A | 0.0000 | |
| 272 | G | A | -1.2581 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.7373 | |
| 277 | N | A | -0.8036 | |
| 278 | A | A | -0.3205 | |
| 279 | G | A | -0.6966 | |
| 280 | S | A | -0.9340 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.1260 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.6916 | |
| 286 | N | A | -2.5934 | |
| 287 | E | A | -3.1235 | |
| 288 | K | A | -2.6402 | |
| 289 | D | A | 0.0000 | |
| 290 | C | A | -1.3111 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -1.0318 | |
| 293 | R | A | -0.9658 | |
| 294 | G | A | 0.0000 | |
| 295 | D | A | -1.7065 | |
| 296 | H | A | -1.1203 | |
| 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 | 0.1754 | |
| 303 | A | A | -0.0324 | |
| 304 | G | A | 0.1668 | |
| 305 | I | A | 0.5220 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -0.9834 | |
| 309 | E | A | -1.6919 | |
| 310 | Q | A | -1.5754 | |
| 311 | S | A | -1.9164 | |
| 312 | K | A | -2.5743 | |
| 313 | E | A | -2.3791 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | -1.1541 | |
| 316 | I | A | 0.0000 | |
| 317 | N | A | -0.8261 | |
| 318 | I | A | 0.3373 | |
| 319 | S | A | -0.1522 | |
| 320 | T | A | -0.3086 | |
| 321 | T | A | -0.7208 | |
| 322 | N | A | -1.4935 | |
| 323 | Y | A | -0.7280 | |
| 324 | P | A | -0.7766 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -1.3999 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.3466 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | -0.1043 | |
| 331 | R | A | -0.9282 | |
| 332 | N | A | -0.6785 | |
| 333 | P | A | -0.0328 | |
| 334 | I | A | 0.9106 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.5483 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.1870 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 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 | -1.2304 | |
| 350 | K | A | -2.3407 | |
| 351 | G | A | -1.5388 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.8828 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.7446 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.1432 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.9945 | |
| 360 | R | A | -1.7256 | |
| 361 | V | A | -0.3710 | |
| 362 | G | A | 0.1587 | |
| 363 | I | A | 1.1258 | |
| 364 | I | A | 1.6238 | |
| 365 | K | A | -0.6229 | |
| 366 | Q | A | -1.4587 | |
| 367 | L | A | -1.4772 | |
| 368 | N | A | -2.6615 | |
| 369 | K | A | -2.5466 | |
| 370 | G | A | -1.3589 | |
| 371 | C | A | -0.7159 | |
| 372 | S | A | 0.0000 | |
| 373 | Y | A | 0.3936 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | N | A | -1.7957 | |
| 377 | Q | A | -1.5583 | |
| 378 | D | A | -1.0302 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | 0.0649 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.4413 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.8326 | |
| 386 | N | A | -1.1516 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.1536 | |
| 389 | Y | A | 0.3923 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -0.1613 | |
| 394 | V | A | 1.0832 | |
| 395 | E | A | 0.0000 | |
| 396 | G | A | -1.0645 | |
| 397 | E | A | -2.4329 | |
| 398 | Q | A | -1.7971 | |
| 399 | H | A | -1.6240 | |
| 400 | V | A | -0.5291 | |
| 401 | I | A | -0.3275 | |
| 402 | K | A | -2.0157 | |
| 403 | G | A | -1.5911 | |
| 404 | R | A | -1.3881 | |
| 405 | P | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.0070 | |
| 409 | S | A | -0.5542 | |
| 410 | F | A | -0.4600 | |
| 411 | D | A | -2.2302 | |
| 412 | P | A | -1.5340 | |
| 413 | V | A | -0.7140 | |
| 414 | K | A | -1.1122 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.4689 | |
| 417 | E | A | -0.4495 | mutated: QE417A |
| 418 | D | A | -0.1162 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.8286 | |
| 421 | N | A | 0.1504 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | -0.1167 | |
| 426 | Q | A | -0.6109 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | 0.5288 | |
| 429 | E | A | -0.8649 | |
| 430 | N | A | -0.9300 | |
| 431 | I | A | -0.8556 | |
| 432 | E | A | -1.7979 | |
| 433 | N | A | -1.6799 | |
| 434 | S | A | 0.0000 | |
| 435 | Q | A | -1.8954 | |
| 436 | A | A | -1.5934 | |
| 437 | W | A | -1.1309 | |
| 438 | V | A | -1.1005 | |
| 439 | D | A | -2.1928 | |
| 440 | K | A | -1.7646 | |
| 441 | F | A | -1.2114 | |
| 442 | N | A | -2.1565 | |
| 443 | R | A | -2.6882 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.2480 | |
| 446 | S | A | -2.1284 | |
| 447 | S | A | -2.3369 | |
| 448 | A | A | -2.4360 | |
| 449 | E | A | -3.0479 | |
| 450 | K | A | -2.9307 | |
| 451 | G | A | -2.8156 | |
| 452 | N | A | -2.6274 | |
| 453 | T | A | -1.3548 | |
| 1 | L | B | -0.5766 | |
| 2 | K | B | -1.5724 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.4061 | |
| 5 | Y | B | 0.3364 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.2985 | |
| 8 | E | B | -1.3721 | |
| 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 | -0.5263 | |
| 16 | G | B | -0.0144 | |
| 17 | Y | B | -0.0137 | |
| 18 | L | B | 0.1677 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | 0.0202 | |
| 24 | G | B | -0.0771 | |
| 25 | W | B | -0.1390 | |
| 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 | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -2.1317 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -2.0910 | |
| 39 | N | B | -2.4234 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.2407 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -1.8227 | |
| 44 | D | B | -2.0165 | |
| 45 | G | B | -1.1272 | |
| 46 | P | B | -0.9146 | |
| 47 | S | B | -0.7810 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.3010 | |
| 51 | T | B | -0.5228 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.2848 | |
| 55 | L | B | -0.6975 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.0524 | |
| 58 | S | B | -1.5349 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | R | B | -2.4043 | |
| 62 | I | B | 0.0000 | mutated: EI62B |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.1428 | |
| 65 | T | B | -0.8022 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.7736 | |
| 68 | A | B | -1.0662 | |
| 69 | D | B | -1.6003 | |
| 70 | Q | B | -1.0379 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -0.4958 | |
| 73 | G | B | -0.7702 | |
| 74 | G | B | -0.9442 | |
| 75 | G | B | -0.9837 | |
| 76 | S | B | -0.6114 | |
| 77 | A | B | -0.2647 | |
| 78 | T | B | -0.1171 | |
| 79 | A | B | -0.2264 | |
| 80 | A | B | 0.1849 | |
| 81 | A | B | 0.2184 | |
| 82 | V | B | 0.2328 | |
| 83 | T | B | 0.1794 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.0322 | |
| 87 | A | B | -0.1591 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -1.3141 | |
| 91 | C | B | -0.4487 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.6254 | |
| 94 | L | B | -0.2172 | |
| 95 | P | B | -0.4464 | |
| 96 | S | B | -0.4816 | |
| 97 | E | B | -0.5510 | |
| 98 | V | B | -0.3307 | |
| 99 | T | B | -0.7891 | |
| 100 | A | B | -0.7622 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.4145 | |
| 103 | N | B | -1.6634 | |
| 104 | A | B | -1.1716 | |
| 105 | L | B | -1.4698 | |
| 106 | K | B | -2.4189 | |
| 107 | K | B | -2.4769 | |
| 108 | T | B | -1.9000 | |
| 109 | N | B | -2.3198 | |
| 110 | E | B | -2.2471 | |
| 111 | A | B | 0.0000 | |
| 112 | V | B | 1.1041 | |
| 113 | S | B | 0.2798 | |
| 114 | T | B | -0.2733 | |
| 115 | L | B | -0.1966 | |
| 116 | G | B | -0.5186 | |
| 117 | C | B | -0.0579 | |
| 118 | G | B | -0.5071 | |
| 119 | V | B | 0.0000 | |
| 120 | R | B | -1.1058 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | -0.0745 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | -0.5675 | |
| 127 | P | B | -0.8630 | |
| 128 | E | B | -1.4160 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -1.7545 | |
| 131 | D | B | -2.2526 | |
| 132 | F | B | -1.7209 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.1993 | |
| 135 | K | B | -2.7069 | |
| 136 | N | B | -2.5643 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.3304 | |
| 139 | R | B | -2.8961 | |
| 140 | A | B | -1.9831 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.1398 | |
| 143 | K | B | -3.6936 | |
| 144 | N | B | -3.4057 | |
| 145 | K | B | -2.9096 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -1.9107 | |
| 148 | I | B | 0.2517 | |
| 149 | P | B | -0.7419 | |
| 150 | D | B | -1.3800 | |
| 151 | L | B | -1.0746 | |
| 152 | K | B | -1.2576 | |
| 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 | -0.0949 | |
| 159 | Q | B | -0.2398 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | 0.0000 | |
| 163 | R | B | -0.4190 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | 0.0000 | |
| 166 | N | B | -0.5319 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | -1.0030 | |
| 170 | Q | B | -0.7141 | |
| 171 | F | B | 0.0000 | |
| 172 | F | B | 0.0000 | mutated: SF172B |
| 173 | D | B | -1.0719 | |
| 174 | N | B | -0.9507 | |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.5407 | |
| 180 | A | B | 0.0000 | |
| 181 | I | B | 0.0000 | |
| 182 | T | B | 0.0000 | mutated: ST182B |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.3404 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.2915 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -1.0675 | |
| 190 | E | B | -1.6630 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.5895 | |
| 193 | R | B | -2.3698 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.5967 | |
| 197 | N | B | -1.5133 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.4302 | |
| 200 | T | B | -0.5073 | |
| 201 | S | B | -0.3534 | |
| 202 | A | B | -0.4801 | |
| 203 | G | B | -0.8351 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | -0.8898 | |
| 206 | K | B | -1.8095 | |
| 207 | L | B | -0.8869 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -1.1749 | |
| 210 | E | B | -1.8064 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | -1.2130 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -1.2095 | |
| 218 | K | B | -0.8286 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.0000 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.4169 | |
| 226 | V | B | 0.0000 | |
| 227 | Y | B | 0.9141 | |
| 228 | G | B | -0.0052 | |
| 229 | S | B | -0.6214 | |
| 230 | S | B | 0.0046 | |
| 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 | 0.0614 | |
| 242 | V | B | 0.0419 | |
| 243 | I | B | -0.3194 | |
| 244 | D | B | -1.3834 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.3582 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | 0.1533 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | -0.4803 | |
| 252 | A | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.2999 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | 0.0000 | |
| 257 | S | B | -1.2831 | |
| 258 | E | B | -2.1265 | |
| 259 | K | B | -2.7586 | |
| 260 | K | B | -2.1595 | |
| 261 | G | B | -1.7033 | |
| 262 | N | B | -1.7380 | |
| 263 | Y | B | -1.2009 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | -0.0623 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | 0.2292 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | 0.0000 | |
| 270 | D | B | -1.1916 | |
| 271 | Q | B | -1.1835 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | -0.4924 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.9441 | |
| 277 | N | B | -0.7624 | |
| 278 | A | B | -0.6623 | |
| 279 | G | B | -0.6472 | |
| 280 | S | B | -1.0130 | |
| 281 | T | B | -0.7021 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0000 | |
| 284 | Y | B | 0.0000 | |
| 285 | P | B | -1.5252 | |
| 286 | N | B | -2.5989 | |
| 287 | E | B | -2.7185 | |
| 288 | K | B | -2.8726 | |
| 289 | D | B | -2.0001 | |
| 290 | C | B | -1.2876 | |
| 291 | E | B | 0.0000 | |
| 292 | T | B | -0.6721 | |
| 293 | R | B | -0.8048 | |
| 294 | G | B | -0.8307 | |
| 295 | D | B | -0.4909 | |
| 296 | H | B | -0.4904 | |
| 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 | 0.0208 | |
| 303 | A | B | -0.4505 | |
| 304 | G | B | -0.2075 | |
| 305 | I | B | 0.4056 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | -0.6631 | |
| 309 | E | B | -1.6169 | |
| 310 | Q | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -1.0663 | |
| 313 | E | B | -1.0014 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | -0.7713 | |
| 316 | I | B | 0.0000 | |
| 317 | N | B | -0.5335 | |
| 318 | I | B | 0.1723 | |
| 319 | S | B | -0.0954 | |
| 320 | T | B | -0.0509 | |
| 321 | T | B | -0.1368 | |
| 322 | N | B | -0.2301 | |
| 323 | Y | B | -0.0317 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.3362 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | 0.2615 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | -0.1886 | |
| 331 | R | B | -0.5971 | |
| 332 | N | B | 0.0000 | |
| 333 | P | B | 0.0548 | |
| 334 | I | B | 0.6258 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.4286 | |
| 337 | V | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.1789 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | -0.1971 | |
| 342 | L | B | 0.0000 | |
| 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 | 0.0000 | |
| 350 | K | B | -2.0198 | |
| 351 | G | B | -1.6816 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.8625 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -1.0699 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.0000 | |
| 358 | S | B | -0.2344 | |
| 359 | N | B | -0.4464 | |
| 360 | R | B | -1.1914 | |
| 361 | V | B | 1.1543 | |
| 362 | G | B | 1.1797 | |
| 363 | I | B | 1.9302 | |
| 364 | I | B | 1.6133 | |
| 365 | K | B | -1.1995 | |
| 366 | Q | B | -1.6059 | |
| 367 | L | B | -1.5998 | |
| 368 | N | B | -2.6753 | |
| 369 | K | B | -2.6285 | |
| 370 | G | B | 0.0000 | |
| 371 | C | B | 0.0000 | |
| 372 | S | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | -0.8313 | |
| 376 | N | B | -1.3862 | |
| 377 | Q | B | -2.2668 | |
| 378 | D | B | -1.8481 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | -1.1749 | |
| 381 | T | B | 0.0000 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.5357 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.8452 | |
| 386 | N | B | -1.1121 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | -0.0300 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.4970 | |
| 393 | K | B | -0.3134 | |
| 394 | V | B | -0.0270 | |
| 395 | E | B | -1.3513 | |
| 396 | G | B | -1.5692 | |
| 397 | E | B | -2.6750 | |
| 398 | Q | B | -1.5469 | |
| 399 | H | B | -0.5003 | |
| 400 | V | B | 1.4093 | |
| 401 | I | B | 0.7123 | |
| 402 | K | B | -1.3439 | |
| 403 | G | B | -1.6550 | |
| 404 | R | B | -1.7406 | |
| 405 | P | B | -1.3016 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.2908 | |
| 409 | S | B | -0.5936 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.1749 | |
| 412 | P | B | 0.0000 | |
| 413 | V | B | 0.7007 | |
| 414 | K | B | -1.2212 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.2979 | |
| 417 | E | B | 0.0000 | mutated: QE417B |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 1.1409 | |
| 421 | N | B | 0.2694 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | P | B | -0.0082 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.2017 | |
| 429 | E | B | -1.0255 | |
| 430 | N | B | -0.8680 | |
| 431 | I | B | -0.7199 | |
| 432 | E | B | -1.7420 | |
| 433 | N | B | -1.7206 | |
| 434 | S | B | -1.2735 | |
| 435 | Q | B | -1.9139 | |
| 436 | A | B | -1.6907 | |
| 437 | W | B | -1.0115 | |
| 438 | V | B | -1.3927 | |
| 439 | D | B | -2.0104 | |
| 440 | K | B | -1.6872 | |
| 441 | F | B | 0.0000 | |
| 442 | N | B | -1.9795 | |
| 443 | R | B | -2.5134 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.5146 | |
| 446 | S | B | -2.1560 | |
| 447 | S | B | -2.1203 | |
| 448 | A | B | -2.6225 | |
| 449 | E | B | -3.0768 | |
| 450 | K | B | -2.9602 | |
| 451 | G | B | -2.7512 | |
| 452 | N | B | -2.8693 | |
| 453 | T | B | -1.3755 | |
| 1 | L | C | -1.0392 | |
| 2 | K | C | -2.3636 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | -0.6278 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | 0.0000 | |
| 8 | E | C | -1.4951 | |
| 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 | -1.1202 | |
| 16 | G | C | -0.7646 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.2196 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.1392 | |
| 24 | G | C | -0.1059 | |
| 25 | W | C | -0.2159 | |
| 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 | -0.0194 | |
| 33 | E | C | -0.9995 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -2.0156 | |
| 36 | D | C | -2.4959 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -2.9217 | |
| 39 | N | C | -2.3961 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.3174 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.0299 | |
| 44 | D | C | -2.7180 | |
| 45 | G | C | -1.9674 | |
| 46 | P | C | -1.5048 | |
| 47 | S | C | -1.2730 | |
| 48 | L | C | 0.0000 | |
| 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 | -1.8807 | |
| 55 | L | C | -0.8202 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.9608 | |
| 58 | S | C | -1.1211 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -0.9698 | |
| 61 | R | C | -1.8196 | |
| 62 | I | C | 0.0000 | mutated: EI62C |
| 63 | L | C | -0.9853 | |
| 64 | K | C | -1.8604 | |
| 65 | T | C | -1.1307 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.5953 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -1.1168 | |
| 70 | Q | C | -0.8400 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.7587 | |
| 73 | G | C | -1.1178 | |
| 74 | G | C | -0.9199 | |
| 75 | G | C | -1.0642 | |
| 76 | S | C | -0.6078 | |
| 77 | A | C | -0.2161 | |
| 78 | T | C | -0.1716 | |
| 79 | A | C | 0.0291 | |
| 80 | A | C | 0.0000 | |
| 81 | A | C | 0.2003 | |
| 82 | V | C | 0.1781 | |
| 83 | T | C | 0.0000 | |
| 84 | A | C | 0.0490 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.0000 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -0.2372 | |
| 91 | C | C | -0.0825 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | 0.0309 | |
| 94 | L | C | 0.5464 | |
| 95 | P | C | 0.0948 | |
| 96 | S | C | -0.1358 | |
| 97 | E | C | 0.0000 | |
| 98 | V | C | -0.2184 | |
| 99 | T | C | -0.5724 | |
| 100 | A | C | -0.6773 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -2.0086 | |
| 103 | N | C | -2.1762 | |
| 104 | A | C | -1.9199 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.4689 | |
| 107 | K | C | -3.3895 | |
| 108 | T | C | -2.5331 | |
| 109 | N | C | -2.6688 | |
| 110 | E | C | -2.6438 | |
| 111 | A | C | 0.0000 | |
| 112 | V | C | 0.9162 | |
| 113 | S | C | 0.4307 | |
| 114 | T | C | 0.0253 | |
| 115 | L | C | 0.1747 | |
| 116 | G | C | -0.8264 | |
| 117 | C | C | 0.0000 | |
| 118 | G | C | -0.9766 | |
| 119 | V | C | -0.7516 | |
| 120 | R | C | -1.2869 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | -1.4349 | |
| 126 | V | C | -0.7951 | |
| 127 | P | C | -1.0372 | |
| 128 | E | C | -1.3813 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -3.0546 | |
| 131 | D | C | -3.3104 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.6085 | |
| 135 | K | C | -2.6531 | |
| 136 | N | C | -2.5621 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.8294 | |
| 139 | R | C | -3.1357 | |
| 140 | A | C | -2.1865 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.4407 | |
| 143 | K | C | -3.6587 | |
| 144 | N | C | -3.5774 | |
| 145 | K | C | -3.8385 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.1598 | |
| 148 | I | C | -1.6685 | |
| 149 | P | C | -1.2239 | |
| 150 | D | C | -1.7742 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.8734 | |
| 153 | M | C | -0.9026 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | 0.0000 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0875 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.3656 | |
| 163 | R | C | -0.4316 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.1507 | |
| 166 | N | C | -0.4516 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | -0.6794 | |
| 170 | Q | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | F | C | 0.0000 | mutated: SF172C |
| 173 | D | C | -1.2768 | |
| 174 | N | C | -0.8427 | |
| 175 | A | C | -0.5159 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | -0.1408 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | -0.6103 | |
| 180 | A | C | -0.4010 | |
| 181 | I | C | 0.0000 | |
| 182 | T | C | 0.0000 | mutated: ST182C |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.4443 | |
| 185 | L | C | -0.0119 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4794 | |
| 188 | D | C | -0.9395 | |
| 189 | A | C | -0.9312 | |
| 190 | E | C | -1.0441 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.0354 | |
| 193 | R | C | -2.3045 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.0389 | |
| 197 | N | C | -0.9183 | |
| 198 | M | C | -0.5188 | |
| 199 | P | C | -0.4493 | |
| 200 | T | C | -0.0988 | |
| 201 | S | C | -0.4679 | |
| 202 | A | C | -0.6380 | |
| 203 | G | C | -0.7948 | |
| 204 | Q | C | -0.7111 | |
| 205 | I | C | -0.6752 | |
| 206 | K | C | -1.4584 | |
| 207 | L | C | -0.5058 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | 0.0785 | |
| 210 | E | C | -0.5366 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | -0.3138 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -1.0461 | |
| 218 | K | C | -0.6860 | |
| 219 | G | C | -0.3263 | |
| 220 | F | C | 0.0409 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | 0.0000 | |
| 226 | V | C | -0.0903 | |
| 227 | Y | C | -0.0747 | |
| 228 | G | C | -0.4552 | |
| 229 | S | C | -0.7497 | |
| 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 | 0.3087 | |
| 242 | V | C | 0.3963 | |
| 243 | I | C | -0.1127 | |
| 244 | D | C | -1.3231 | |
| 245 | T | C | -0.7458 | |
| 246 | P | C | -0.6485 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.2511 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.8568 | |
| 252 | A | C | 0.0000 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | -0.1697 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.4629 | |
| 257 | S | C | 0.0000 | |
| 258 | E | C | -2.1016 | |
| 259 | K | C | -2.4297 | |
| 260 | K | C | -2.8488 | |
| 261 | G | C | -1.6513 | |
| 262 | N | C | -1.6168 | |
| 263 | Y | C | -0.9453 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | -0.3095 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -1.4525 | |
| 270 | D | C | -1.8381 | |
| 271 | Q | C | -1.5132 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.7159 | |
| 277 | N | C | -1.2716 | |
| 278 | A | C | -0.6875 | |
| 279 | G | C | -0.8123 | |
| 280 | S | C | -1.2071 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0000 | |
| 284 | Y | C | -0.4784 | |
| 285 | P | C | -1.1660 | |
| 286 | N | C | -2.0882 | |
| 287 | E | C | -2.1506 | |
| 288 | K | C | -2.5180 | |
| 289 | D | C | -1.4533 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | -1.0373 | |
| 292 | T | C | -0.8509 | |
| 293 | R | C | -1.0012 | |
| 294 | G | C | -0.7408 | |
| 295 | D | C | -1.2271 | |
| 296 | H | C | -0.8526 | |
| 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 | 0.1249 | |
| 303 | A | C | 0.0000 | |
| 304 | G | C | 0.2353 | |
| 305 | I | C | 0.6387 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | A | C | -0.6799 | |
| 309 | E | C | -1.1660 | |
| 310 | Q | C | -1.0006 | |
| 311 | S | C | -0.9568 | |
| 312 | K | C | -0.5480 | |
| 313 | E | C | -0.4944 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.9428 | |
| 317 | N | C | 0.2316 | |
| 318 | I | C | 1.4806 | |
| 319 | S | C | 0.2652 | |
| 320 | T | C | -0.3796 | |
| 321 | T | C | -0.7059 | |
| 322 | N | C | -1.8186 | |
| 323 | Y | C | 0.0000 | |
| 324 | P | C | 0.0000 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.0519 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.2724 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | -0.0002 | |
| 331 | R | C | 0.0000 | |
| 332 | N | C | 0.0000 | |
| 333 | P | C | 0.0000 | |
| 334 | I | C | 0.7029 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.6036 | |
| 337 | V | C | 0.6034 | |
| 338 | A | C | 0.3020 | |
| 339 | L | C | 0.2180 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.0160 | |
| 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 | -1.3042 | |
| 350 | K | C | -2.4313 | |
| 351 | G | C | -1.5036 | |
| 352 | V | C | 0.0000 | |
| 353 | S | C | -1.4612 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.8028 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | 0.2474 | |
| 359 | N | C | -0.2369 | |
| 360 | R | C | -0.3131 | |
| 361 | V | C | 0.5770 | |
| 362 | G | C | 0.6002 | |
| 363 | I | C | 1.9304 | |
| 364 | I | C | 1.0059 | |
| 365 | K | C | -1.2778 | |
| 366 | Q | C | -1.5903 | |
| 367 | L | C | -1.3564 | |
| 368 | N | C | -1.8767 | |
| 369 | K | C | -1.3964 | |
| 370 | G | C | -1.0262 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | 0.0000 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | 0.0000 | |
| 376 | N | C | -2.2493 | |
| 377 | Q | C | -1.7978 | |
| 378 | D | C | -1.2519 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | -0.9517 | |
| 381 | T | C | 0.0000 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.2894 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.7465 | |
| 386 | N | C | 0.0000 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | -0.1433 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -0.0652 | |
| 393 | K | C | -0.3774 | |
| 394 | V | C | 0.8435 | |
| 395 | E | C | -1.2027 | |
| 396 | G | C | -1.8317 | |
| 397 | E | C | -3.1060 | |
| 398 | Q | C | -2.4241 | |
| 399 | H | C | -1.3524 | |
| 400 | V | C | -0.0247 | |
| 401 | I | C | -0.2713 | |
| 402 | K | C | -1.6810 | |
| 403 | G | C | -1.6259 | |
| 404 | R | C | -1.7146 | |
| 405 | P | C | -1.0857 | |
| 406 | V | C | -0.2235 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.7877 | |
| 409 | S | C | -0.1719 | |
| 410 | F | C | 0.2491 | |
| 411 | D | C | -0.7495 | |
| 412 | P | C | -0.3097 | |
| 413 | V | C | 0.3732 | |
| 414 | K | C | -0.1340 | |
| 415 | F | C | 0.9754 | |
| 416 | P | C | 0.6910 | |
| 417 | E | C | 0.0159 | mutated: QE417C |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.7432 | |
| 421 | N | C | -0.0811 | |
| 422 | V | C | -0.2145 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | P | C | -0.0160 | |
| 426 | Q | C | -0.5371 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.7979 | |
| 429 | E | C | -1.2555 | |
| 430 | N | C | -0.8784 | |
| 431 | I | C | -0.6811 | |
| 432 | E | C | -2.2675 | |
| 433 | N | C | -1.6108 | |
| 434 | S | C | -1.0641 | |
| 435 | Q | C | -1.7976 | |
| 436 | A | C | -1.1353 | |
| 437 | W | C | -0.6525 | |
| 438 | V | C | -0.7882 | |
| 439 | D | C | -1.5198 | |
| 440 | K | C | -1.1280 | |
| 441 | F | C | -0.5662 | |
| 442 | N | C | -1.7244 | |
| 443 | R | C | -2.1721 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -0.4826 | |
| 446 | S | C | -1.6401 | |
| 447 | S | C | -1.9439 | |
| 448 | A | C | -2.1250 | |
| 449 | E | C | -3.2453 | |
| 450 | K | C | -3.1642 | |
| 451 | G | C | -3.0361 | |
| 452 | N | C | -2.9969 | |
| 453 | T | C | -1.8806 |
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, -0.6225 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 | -0.6225 | View | CSV | PDB |
| model_0 | -0.6246 | View | CSV | PDB |
| model_10 | -0.6432 | View | CSV | PDB |
| model_11 | -0.646 | View | CSV | PDB |
| CABS_average | -0.6488 | View | CSV | PDB |
| model_8 | -0.65 | View | CSV | PDB |
| model_7 | -0.6505 | View | CSV | PDB |
| model_5 | -0.655 | View | CSV | PDB |
| model_4 | -0.6573 | View | CSV | PDB |
| model_1 | -0.6584 | View | CSV | PDB |
| model_6 | -0.6587 | View | CSV | PDB |
| model_9 | -0.6599 | View | CSV | PDB |
| model_2 | -0.66 | View | CSV | PDB |
| input | -0.6625 | 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