| Chain sequence(s) |
A: MSRRKQAKPRSLKDPNCKLEDKTEDGEALDCKKRPEDGEELEDEAVHSCDSCLQVFESLSDITEHKINQCQLTDGVDVEDDPTCSWPASSPSSKDQTSPSHGEGCDFGEEEGGPGLPYPCQFCDKSFSRLSYLKHHEQSHSDKLPFKCTYCSRLFKHKRSRDRHIKLHTGDKKYHCSECDAAFSRSDHLKIHLKTHTSNKPYKCAICRRGFLSSSSLHGHMQVHERNKDGSQSGSRMEDWKMKDTQKCSQCEEGFDFPEDLQKHIAECHPECSPNEDRAALQCVYCHELFVEETSLMNHMEQVHSGEKKNSCSICSESFHTVEELYSHMDSHQQPESCNHSNSPSLVTVGYTSVSSTTPDSNLSVDSSTMVEAAPPIPKSRGRKRAAQQTPDMTGPSSKQAKVTYSCIYCNKQLFSSLAVLQIHLKTMHLDKPEQAHICQYCLEVLPSLYNLNEHLKQVHEAQDPGLIVSAMPAIVYQCNFCSEVVNDLNTLQEHIRCSHGFANPAAKDSNAFFCPHCYMGFLTDSSLEEHIRQVHCDLSGSRFGSPVLGTPKEPVVEVYSCSYCTNSPIFNSVLKLNKHIKENHKNIPLALNYIHNGKKSRALSPLSPVAIEQTSLKMMQAVGGAPARPTGEYICNQCGAKYTSLDSFQTHLKTHLDTVLPKLTCPQCNKEFPNQESLLKHVTIHFMITSTYYICESCDKQFTSVDDLQKHLLDMHTFVFFRCTLCQEVFDSKVSIQLHLAVKHSNEKKVYRCTSCNWDFRNETDLQLHVKHNHLENQGKVHKCIFCGESFGTEVELQCHITTHSKKYNCKFCSKAFHAIILLEKHLREKHCVFETKTPNCGTNGASEQVQKEEVELQTLLTNSQESHNSHDGSEEDVDTSEPMYGCDICGAAYTMETLLQNHQLRDHNIRPGESAIVKKKAELIKGNYKCNVCSRTFFSENGLREHMQTHLGPVKHYMCPICGERFPSLLTLTEHKVTHSKSLDTGNCRICKMPLQSEEEFLEHCQMHPDLRNSLTGFRCVVCMQTVTSTLELKIHGTFHMQKTGNGSAVQTTGRGQHVQKLYKCASCLKEFRSKQDLVKLDINGLPYGLCAGCVNLSKSASPGINVPPGTNRPGLGQNENLSAIEGKGKVGGLKTRCSSCNVKFESESELQNHIQTIHRELVPDSNSTQLKTPQVSPMPRISPSQSDEKKTYQCIKCQMVFYNEWDIQVHVANHMIDEGLNHECKLCSQTFDSPAKLQCHLIEHSFEGMGGTFKCPVCFTVFVQANKLQQHIFSAHGQEDKIYDCTQCPQKFFFQTELQNHTMTQHSS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b4f748088d6e925/tmp/folded.pdb (00:17:16)
[INFO] Main: Simulation completed successfully. (00:23:28)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.5448 | |
| 2 | S | A | -1.1742 | |
| 3 | R | A | -2.9839 | |
| 4 | R | A | -3.8862 | |
| 5 | K | A | -3.5713 | |
| 6 | Q | A | -2.7352 | |
| 7 | A | A | -1.7900 | |
| 8 | K | A | -2.4347 | |
| 9 | P | A | -2.0189 | |
| 10 | R | A | -2.1365 | |
| 11 | S | A | -0.7591 | |
| 12 | L | A | -0.1451 | |
| 13 | K | A | -1.8616 | |
| 14 | D | A | -2.7142 | |
| 15 | P | A | -2.0323 | |
| 16 | N | A | -1.6819 | |
| 17 | C | A | -0.4843 | |
| 18 | K | A | -1.0972 | |
| 19 | L | A | -0.5606 | |
| 20 | E | A | -2.8255 | |
| 21 | D | A | -3.3117 | |
| 22 | K | A | -3.4121 | |
| 23 | T | A | -2.7171 | |
| 24 | E | A | -3.1979 | |
| 25 | D | A | -3.2606 | |
| 26 | G | A | -2.5387 | |
| 27 | E | A | -2.0877 | |
| 28 | A | A | -0.5723 | |
| 29 | L | A | 0.3863 | |
| 30 | D | A | -0.9284 | |
| 31 | C | A | -1.1434 | |
| 32 | K | A | -2.8253 | |
| 33 | K | A | -3.3045 | |
| 34 | R | A | -3.4742 | |
| 35 | P | A | -2.8075 | |
| 36 | E | A | -3.2588 | |
| 37 | D | A | -3.3616 | |
| 38 | G | A | -2.7873 | |
| 39 | E | A | -3.2305 | |
| 40 | E | A | -2.7609 | |
| 41 | L | A | -1.3287 | |
| 42 | E | A | -3.2072 | |
| 43 | D | A | -3.1351 | |
| 44 | E | A | -2.7650 | |
| 45 | A | A | -0.9096 | |
| 46 | V | A | 0.9718 | |
| 47 | H | A | 0.4396 | |
| 48 | S | A | 0.5609 | |
| 49 | C | A | 0.0000 | |
| 50 | D | A | -1.5619 | |
| 51 | S | A | -0.6621 | |
| 52 | C | A | 0.0938 | |
| 53 | L | A | 0.9212 | |
| 54 | Q | A | 0.2687 | |
| 55 | V | A | 1.2769 | |
| 56 | F | A | 0.3373 | |
| 57 | E | A | -1.2280 | |
| 58 | S | A | -0.3118 | |
| 59 | L | A | 0.6513 | |
| 60 | S | A | -0.9303 | |
| 61 | D | A | -1.6709 | |
| 62 | I | A | -0.9390 | |
| 63 | T | A | -1.1589 | |
| 64 | E | A | -2.3987 | |
| 65 | H | A | 0.0000 | |
| 66 | K | A | -2.1136 | |
| 67 | I | A | -0.2800 | |
| 68 | N | A | -1.9305 | |
| 69 | Q | A | -2.0587 | |
| 70 | C | A | -1.2309 | |
| 71 | Q | A | -1.3444 | |
| 72 | L | A | 0.3613 | |
| 73 | T | A | -0.6332 | |
| 74 | D | A | -1.7020 | |
| 75 | G | A | -0.7058 | |
| 76 | V | A | 0.4340 | |
| 77 | D | A | -0.6016 | |
| 78 | V | A | -0.3941 | |
| 79 | E | A | -2.3272 | |
| 80 | D | A | -3.2374 | |
| 81 | D | A | -3.0207 | |
| 82 | P | A | -1.3565 | |
| 83 | T | A | -0.2290 | |
| 84 | C | A | 0.7825 | |
| 85 | S | A | 0.6770 | |
| 86 | W | A | 1.0968 | |
| 87 | P | A | 0.3529 | |
| 88 | A | A | -0.0091 | |
| 89 | S | A | -0.3933 | |
| 90 | S | A | -0.4906 | |
| 91 | P | A | -0.5609 | |
| 92 | S | A | -0.9135 | |
| 93 | S | A | -1.5547 | |
| 94 | K | A | -3.0063 | |
| 95 | D | A | -3.3225 | |
| 96 | Q | A | -2.6631 | |
| 97 | T | A | -1.2205 | |
| 98 | S | A | -0.6931 | |
| 99 | P | A | -0.7008 | |
| 100 | S | A | -0.9682 | |
| 101 | H | A | -1.7422 | |
| 102 | G | A | -2.0075 | |
| 103 | E | A | -2.5073 | |
| 104 | G | A | -1.3326 | |
| 105 | C | A | -0.3041 | |
| 106 | D | A | -1.0866 | |
| 107 | F | A | 0.3775 | |
| 108 | G | A | -1.3459 | |
| 109 | E | A | -3.1236 | |
| 110 | E | A | -3.4727 | |
| 111 | E | A | -3.3885 | |
| 112 | G | A | -2.2168 | |
| 113 | G | A | -1.6300 | |
| 114 | P | A | -1.1572 | |
| 115 | G | A | -0.5033 | |
| 116 | L | A | -0.1926 | |
| 117 | P | A | -0.1702 | |
| 118 | Y | A | -0.2029 | |
| 119 | P | A | -0.6386 | |
| 120 | C | A | -0.7121 | |
| 121 | Q | A | -0.5937 | |
| 122 | F | A | 0.9235 | |
| 123 | C | A | -0.2128 | |
| 124 | D | A | -1.8572 | |
| 125 | K | A | -1.5678 | |
| 126 | S | A | 0.0000 | |
| 127 | F | A | -0.8823 | |
| 128 | S | A | -0.8257 | |
| 129 | R | A | -1.4348 | |
| 130 | L | A | -0.4585 | |
| 131 | S | A | -0.9434 | |
| 132 | Y | A | -0.9256 | |
| 133 | L | A | 0.0000 | |
| 134 | K | A | -2.4481 | |
| 135 | H | A | -2.1684 | |
| 136 | H | A | -1.3425 | |
| 137 | E | A | -1.8230 | |
| 138 | Q | A | -2.6834 | |
| 139 | S | A | -1.7741 | |
| 140 | H | A | -1.5733 | |
| 141 | S | A | -1.8809 | |
| 142 | D | A | -3.0974 | |
| 143 | K | A | -2.9552 | |
| 144 | L | A | -2.7225 | |
| 145 | P | A | -2.0013 | |
| 146 | F | A | -2.2586 | |
| 147 | K | A | -2.3829 | |
| 148 | C | A | 0.0000 | |
| 149 | T | A | -0.0616 | |
| 150 | Y | A | 0.9687 | |
| 151 | C | A | -0.0582 | |
| 152 | S | A | -0.7247 | |
| 153 | R | A | -1.9391 | |
| 154 | L | A | -2.0382 | |
| 155 | F | A | -2.5247 | |
| 156 | K | A | -3.1981 | |
| 157 | H | A | -3.2205 | |
| 158 | K | A | -3.7476 | |
| 159 | R | A | -3.7006 | |
| 160 | S | A | -2.7263 | |
| 161 | R | A | -3.1103 | |
| 162 | D | A | -2.5037 | |
| 163 | R | A | -2.6459 | |
| 164 | H | A | -1.2957 | |
| 165 | I | A | -0.8126 | |
| 166 | K | A | -1.7740 | |
| 167 | L | A | 0.1273 | |
| 168 | H | A | -0.0823 | |
| 169 | T | A | -0.6981 | |
| 170 | G | A | -1.5565 | |
| 171 | D | A | -2.6241 | |
| 172 | K | A | -3.2173 | |
| 173 | K | A | -3.0691 | |
| 174 | Y | A | -1.9944 | |
| 175 | H | A | -2.1254 | |
| 176 | C | A | -1.5507 | |
| 177 | S | A | -1.3678 | |
| 178 | E | A | -2.2025 | |
| 179 | C | A | -1.5447 | |
| 180 | D | A | -2.1744 | |
| 181 | A | A | -1.2465 | |
| 182 | A | A | -1.9155 | |
| 183 | F | A | -2.0496 | |
| 184 | S | A | -2.3000 | |
| 185 | R | A | -2.4439 | |
| 186 | S | A | -2.0011 | |
| 187 | D | A | -2.2003 | |
| 188 | H | A | -1.7909 | |
| 189 | L | A | -1.6331 | |
| 190 | K | A | -2.1248 | |
| 191 | I | A | -0.9425 | |
| 192 | H | A | -0.8870 | |
| 193 | L | A | -0.8639 | |
| 194 | K | A | -1.3474 | |
| 195 | T | A | -1.0811 | |
| 196 | H | A | -1.0571 | |
| 197 | T | A | -1.2991 | |
| 198 | S | A | -1.3533 | |
| 199 | N | A | -2.0307 | |
| 200 | K | A | -2.2333 | |
| 201 | P | A | -1.2432 | |
| 202 | Y | A | -1.2390 | |
| 203 | K | A | -2.5433 | |
| 204 | C | A | 0.0000 | |
| 205 | A | A | -0.6249 | |
| 206 | I | A | 0.0161 | |
| 207 | C | A | -1.1085 | |
| 208 | R | A | -2.7971 | |
| 209 | R | A | -3.0565 | |
| 210 | G | A | -2.3039 | |
| 211 | F | A | -1.2352 | |
| 212 | L | A | -0.2854 | |
| 213 | S | A | -0.2872 | |
| 214 | S | A | -0.5621 | |
| 215 | S | A | -0.6293 | |
| 216 | S | A | -0.4462 | |
| 217 | L | A | -1.0920 | |
| 218 | H | A | -1.2979 | |
| 219 | G | A | -1.1686 | |
| 220 | H | A | -1.0526 | |
| 221 | M | A | -1.1194 | |
| 222 | Q | A | -2.2994 | |
| 223 | V | A | -1.3472 | |
| 224 | H | A | -2.2772 | |
| 225 | E | A | -4.0573 | |
| 226 | R | A | -4.1368 | |
| 227 | N | A | -4.0863 | |
| 228 | K | A | -4.4802 | |
| 229 | D | A | -4.0879 | |
| 230 | G | A | -2.7065 | |
| 231 | S | A | -2.0392 | |
| 232 | Q | A | -2.1259 | |
| 233 | S | A | -1.2420 | |
| 234 | G | A | -1.3540 | |
| 235 | S | A | -1.2972 | |
| 236 | R | A | -1.9256 | |
| 237 | M | A | -1.2912 | |
| 238 | E | A | -2.4666 | |
| 239 | D | A | -2.2219 | |
| 240 | W | A | -0.8497 | |
| 241 | K | A | -1.6368 | |
| 242 | M | A | -0.9883 | |
| 243 | K | A | -2.3832 | |
| 244 | D | A | -3.0829 | |
| 245 | T | A | -2.4210 | |
| 246 | Q | A | -3.1674 | |
| 247 | K | A | -3.9160 | |
| 248 | C | A | 0.0000 | |
| 249 | S | A | -1.9812 | |
| 250 | Q | A | -1.9598 | |
| 251 | C | A | -1.8628 | |
| 252 | E | A | -3.5767 | |
| 253 | E | A | -3.5208 | |
| 254 | G | A | -3.0083 | |
| 255 | F | A | -2.5100 | |
| 256 | D | A | -2.0509 | |
| 257 | F | A | -0.3482 | |
| 258 | P | A | -1.8569 | |
| 259 | E | A | -3.0792 | |
| 260 | D | A | -3.1154 | |
| 261 | L | A | -2.9709 | |
| 262 | Q | A | -2.7977 | |
| 263 | K | A | -3.5834 | |
| 264 | H | A | -2.3854 | |
| 265 | I | A | -1.7726 | |
| 266 | A | A | -1.9234 | |
| 267 | E | A | -2.0975 | |
| 268 | C | A | -0.9039 | |
| 269 | H | A | -1.2879 | |
| 270 | P | A | -1.6448 | |
| 271 | E | A | -1.9126 | |
| 272 | C | A | -1.0020 | |
| 273 | S | A | -1.4895 | |
| 274 | P | A | -1.7854 | |
| 275 | N | A | -3.1956 | |
| 276 | E | A | -3.7944 | |
| 277 | D | A | -3.8450 | |
| 278 | R | A | -2.9951 | |
| 279 | A | A | -1.0314 | |
| 280 | A | A | -0.1555 | |
| 281 | L | A | 0.1247 | |
| 282 | Q | A | -0.0074 | |
| 283 | C | A | 0.0000 | |
| 284 | V | A | 2.0330 | |
| 285 | Y | A | 1.8977 | |
| 286 | C | A | 0.6954 | |
| 287 | H | A | -0.6247 | |
| 288 | E | A | -1.0935 | |
| 289 | L | A | 0.8222 | |
| 290 | F | A | 0.5079 | |
| 291 | V | A | 0.8215 | |
| 292 | E | A | -1.3458 | |
| 293 | E | A | -2.2267 | |
| 294 | T | A | -1.3318 | |
| 295 | S | A | -0.9422 | |
| 296 | L | A | 0.0000 | |
| 297 | M | A | -1.0032 | |
| 298 | N | A | -1.8666 | |
| 299 | H | A | -1.2142 | |
| 300 | M | A | -0.2626 | |
| 301 | E | A | -2.2267 | |
| 302 | Q | A | -1.7501 | |
| 303 | V | A | 0.5173 | |
| 304 | H | A | -0.1705 | |
| 305 | S | A | -2.1707 | |
| 306 | G | A | -2.2374 | |
| 307 | E | A | -3.4810 | |
| 308 | K | A | -3.9659 | |
| 309 | K | A | -3.2938 | |
| 310 | N | A | -2.2482 | |
| 311 | S | A | -1.4637 | |
| 312 | C | A | 0.0000 | |
| 313 | S | A | 0.5153 | |
| 314 | I | A | 1.7524 | |
| 315 | C | A | 0.6966 | |
| 316 | S | A | -0.3785 | |
| 317 | E | A | -1.6616 | |
| 318 | S | A | -1.9673 | |
| 319 | F | A | -1.4879 | |
| 320 | H | A | -1.7355 | |
| 321 | T | A | -1.1255 | |
| 322 | V | A | -0.4740 | |
| 323 | E | A | -1.4356 | |
| 324 | E | A | -1.2183 | |
| 325 | L | A | 0.0000 | |
| 326 | Y | A | 0.1431 | |
| 327 | S | A | -0.8623 | |
| 328 | H | A | -0.8855 | |
| 329 | M | A | -0.8458 | |
| 330 | D | A | -2.4565 | |
| 331 | S | A | -1.8753 | |
| 332 | H | A | -1.7033 | |
| 333 | Q | A | -2.9425 | |
| 334 | Q | A | -2.9349 | |
| 335 | P | A | -2.0825 | |
| 336 | E | A | -2.4810 | |
| 337 | S | A | -1.5009 | |
| 338 | C | A | -0.7413 | |
| 339 | N | A | -1.9241 | |
| 340 | H | A | -1.8548 | |
| 341 | S | A | -1.6621 | |
| 342 | N | A | -1.8943 | |
| 343 | S | A | -1.1635 | |
| 344 | P | A | -0.4363 | |
| 345 | S | A | 0.8602 | |
| 346 | L | A | 2.1867 | |
| 347 | V | A | 2.7742 | |
| 348 | T | A | 1.9692 | |
| 349 | V | A | 2.1644 | |
| 350 | G | A | 0.9729 | |
| 351 | Y | A | 1.3953 | |
| 352 | T | A | 0.8266 | |
| 353 | S | A | 0.9159 | |
| 354 | V | A | 1.4940 | |
| 355 | S | A | 0.4737 | |
| 356 | S | A | -0.0220 | |
| 357 | T | A | -0.3079 | |
| 358 | T | A | -0.6121 | |
| 359 | P | A | -1.2069 | |
| 360 | D | A | -2.3159 | |
| 361 | S | A | -1.4317 | |
| 362 | N | A | -1.0625 | |
| 363 | L | A | 1.1665 | |
| 364 | S | A | 0.9353 | |
| 365 | V | A | 1.0948 | |
| 366 | D | A | -1.1569 | |
| 367 | S | A | -0.9791 | |
| 368 | S | A | -0.5164 | |
| 369 | T | A | 0.5513 | |
| 370 | M | A | 1.5440 | |
| 371 | V | A | 1.4724 | |
| 372 | E | A | -0.7386 | |
| 373 | A | A | -0.4741 | |
| 374 | A | A | -0.4509 | |
| 375 | P | A | 0.0840 | |
| 376 | P | A | 0.5289 | |
| 377 | I | A | 1.3198 | |
| 378 | P | A | -0.1743 | |
| 379 | K | A | -1.9026 | |
| 380 | S | A | -2.2034 | |
| 381 | R | A | -2.9519 | |
| 382 | G | A | -2.9313 | |
| 383 | R | A | -3.8074 | |
| 384 | K | A | -3.6972 | |
| 385 | R | A | -3.0163 | |
| 386 | A | A | -1.5306 | |
| 387 | A | A | -1.2277 | |
| 388 | Q | A | -1.7493 | |
| 389 | Q | A | -1.8591 | |
| 390 | T | A | -1.4197 | |
| 391 | P | A | -1.1726 | |
| 392 | D | A | -1.3532 | |
| 393 | M | A | -0.1313 | |
| 394 | T | A | -0.2597 | |
| 395 | G | A | -0.4639 | |
| 396 | P | A | -0.8764 | |
| 397 | S | A | -1.0711 | |
| 398 | S | A | -1.5613 | |
| 399 | K | A | -2.6797 | |
| 400 | Q | A | -2.2867 | |
| 401 | A | A | -1.3241 | |
| 402 | K | A | -1.3796 | |
| 403 | V | A | 0.9903 | |
| 404 | T | A | 0.6648 | |
| 405 | Y | A | 0.9492 | |
| 406 | S | A | 0.2686 | |
| 407 | C | A | 0.0000 | |
| 408 | I | A | 1.8686 | |
| 409 | Y | A | 1.0513 | |
| 410 | C | A | -0.1819 | |
| 411 | N | A | -1.6197 | |
| 412 | K | A | -2.3424 | |
| 413 | Q | A | -1.7316 | |
| 414 | L | A | 0.3413 | |
| 415 | F | A | 0.0000 | |
| 416 | S | A | 0.3212 | |
| 417 | S | A | 0.5837 | |
| 418 | L | A | 1.1550 | |
| 419 | A | A | 1.0413 | |
| 420 | V | A | 1.5881 | |
| 421 | L | A | 0.0000 | |
| 422 | Q | A | 0.7435 | |
| 423 | I | A | 1.7521 | |
| 424 | H | A | 0.0000 | |
| 425 | L | A | 0.6119 | |
| 426 | K | A | -0.5475 | |
| 427 | T | A | 0.3521 | |
| 428 | M | A | 0.9362 | |
| 429 | H | A | 0.1656 | |
| 430 | L | A | -0.1465 | |
| 431 | D | A | -1.8811 | |
| 432 | K | A | -2.1628 | |
| 433 | P | A | -2.1743 | |
| 434 | E | A | -2.8598 | |
| 435 | Q | A | -2.0185 | |
| 436 | A | A | -0.6459 | |
| 437 | H | A | 0.2735 | |
| 438 | I | A | 1.5243 | |
| 439 | C | A | 0.0000 | |
| 440 | Q | A | 0.2360 | |
| 441 | Y | A | 1.3990 | |
| 442 | C | A | 1.3860 | |
| 443 | L | A | 1.5886 | |
| 444 | E | A | 0.2288 | |
| 445 | V | A | 1.4395 | |
| 446 | L | A | 0.6757 | |
| 447 | P | A | -0.3515 | |
| 448 | S | A | -0.1938 | |
| 449 | L | A | 0.2092 | |
| 450 | Y | A | 0.4620 | |
| 451 | N | A | -0.4474 | |
| 452 | L | A | -0.4670 | |
| 453 | N | A | -1.1869 | |
| 454 | E | A | -1.5788 | |
| 455 | H | A | -1.2390 | |
| 456 | L | A | -1.1010 | |
| 457 | K | A | -2.7649 | |
| 458 | Q | A | -1.8048 | |
| 459 | V | A | 0.3678 | |
| 460 | H | A | -0.8760 | |
| 461 | E | A | -2.9149 | |
| 462 | A | A | -1.9952 | |
| 463 | Q | A | -2.8724 | |
| 464 | D | A | -2.7817 | |
| 465 | P | A | -1.1265 | |
| 466 | G | A | 0.2823 | |
| 467 | L | A | 2.6387 | |
| 468 | I | A | 3.5531 | |
| 469 | V | A | 3.0716 | |
| 470 | S | A | 1.3150 | |
| 471 | A | A | 0.9866 | |
| 472 | M | A | 1.3219 | |
| 473 | P | A | 1.1204 | |
| 474 | A | A | 1.4580 | |
| 475 | I | A | 2.7205 | |
| 476 | V | A | 2.7368 | |
| 477 | Y | A | 1.0147 | |
| 478 | Q | A | -0.1576 | |
| 479 | C | A | 0.0000 | |
| 480 | N | A | -0.5248 | |
| 481 | F | A | 1.0448 | |
| 482 | C | A | 0.2933 | |
| 483 | S | A | -0.5932 | |
| 484 | E | A | -1.0253 | |
| 485 | V | A | 0.6141 | |
| 486 | V | A | 0.4317 | |
| 487 | N | A | -0.0397 | |
| 488 | D | A | -0.1968 | |
| 489 | L | A | -0.1122 | |
| 490 | N | A | -1.7691 | |
| 491 | T | A | -1.4062 | |
| 492 | L | A | -1.2535 | |
| 493 | Q | A | -2.1034 | |
| 494 | E | A | -2.7372 | |
| 495 | H | A | 0.0000 | |
| 496 | I | A | -1.1024 | |
| 497 | R | A | -2.1118 | |
| 498 | C | A | -0.6837 | |
| 499 | S | A | -0.1489 | |
| 500 | H | A | -0.0024 | |
| 501 | G | A | -0.0938 | |
| 502 | F | A | 1.2441 | |
| 503 | A | A | 0.1981 | |
| 504 | N | A | -0.9802 | |
| 505 | P | A | -0.9988 | |
| 506 | A | A | -0.7031 | |
| 507 | A | A | -1.4277 | |
| 508 | K | A | -2.7692 | |
| 509 | D | A | -3.0414 | |
| 510 | S | A | -1.8937 | |
| 511 | N | A | -1.5702 | |
| 512 | A | A | 0.2440 | |
| 513 | F | A | 1.0922 | |
| 514 | F | A | 2.5807 | |
| 515 | C | A | 0.0000 | |
| 516 | P | A | 0.4595 | |
| 517 | H | A | 0.0332 | |
| 518 | C | A | 1.2647 | |
| 519 | Y | A | 2.2780 | |
| 520 | M | A | 2.1412 | |
| 521 | G | A | 1.8267 | |
| 522 | F | A | 1.1729 | |
| 523 | L | A | 1.2865 | |
| 524 | T | A | -0.2909 | |
| 525 | D | A | -1.8584 | |
| 526 | S | A | -1.6004 | |
| 527 | S | A | -1.2027 | |
| 528 | L | A | -1.0421 | |
| 529 | E | A | -3.0172 | |
| 530 | E | A | -2.5742 | |
| 531 | H | A | 0.0000 | |
| 532 | I | A | -1.5813 | |
| 533 | R | A | -2.7151 | |
| 534 | Q | A | -1.8912 | |
| 535 | V | A | 0.2287 | |
| 536 | H | A | -0.5765 | |
| 537 | C | A | -0.5414 | |
| 538 | D | A | -1.1283 | |
| 539 | L | A | 0.3787 | |
| 540 | S | A | -0.3327 | |
| 541 | G | A | -0.5806 | |
| 542 | S | A | -0.8739 | |
| 543 | R | A | -1.0074 | |
| 544 | F | A | 0.6631 | |
| 545 | G | A | -0.1136 | |
| 546 | S | A | 0.2010 | |
| 547 | P | A | 0.6430 | |
| 548 | V | A | 2.2422 | |
| 549 | L | A | 2.0990 | |
| 550 | G | A | 0.5102 | |
| 551 | T | A | -0.7232 | |
| 552 | P | A | -1.6337 | |
| 553 | K | A | -2.5572 | |
| 554 | E | A | -2.0616 | |
| 555 | P | A | -0.4433 | |
| 556 | V | A | 1.5174 | |
| 557 | V | A | 1.6608 | |
| 558 | E | A | 0.5311 | |
| 559 | V | A | 2.1227 | |
| 560 | Y | A | 1.3126 | |
| 561 | S | A | 0.6661 | |
| 562 | C | A | 0.0000 | |
| 563 | S | A | 0.1509 | |
| 564 | Y | A | 0.5987 | |
| 565 | C | A | -0.0507 | |
| 566 | T | A | -0.4584 | |
| 567 | N | A | -1.0025 | |
| 568 | S | A | -0.0801 | |
| 569 | P | A | 0.2952 | |
| 570 | I | A | 1.6966 | |
| 571 | F | A | 0.7845 | |
| 572 | N | A | -0.0843 | |
| 573 | S | A | 0.2062 | |
| 574 | V | A | 0.8142 | |
| 575 | L | A | 0.3622 | |
| 576 | K | A | -1.2687 | |
| 577 | L | A | -0.4832 | |
| 578 | N | A | -1.5935 | |
| 579 | K | A | -2.9583 | |
| 580 | H | A | -2.6730 | |
| 581 | I | A | -2.5946 | |
| 582 | K | A | -4.2862 | |
| 583 | E | A | -4.3487 | |
| 584 | N | A | -3.3656 | |
| 585 | H | A | -2.7302 | |
| 586 | K | A | -3.6563 | |
| 587 | N | A | -2.4631 | |
| 588 | I | A | -0.8002 | |
| 589 | P | A | -0.3766 | |
| 590 | L | A | 0.2120 | |
| 591 | A | A | 0.8989 | |
| 592 | L | A | 1.6933 | |
| 593 | N | A | 0.3295 | |
| 594 | Y | A | 1.5372 | |
| 595 | I | A | 1.7100 | |
| 596 | H | A | -0.6804 | |
| 597 | N | A | -2.0234 | |
| 598 | G | A | -2.0969 | |
| 599 | K | A | -3.4232 | |
| 600 | K | A | -3.3254 | |
| 601 | S | A | -2.5655 | |
| 602 | R | A | -2.1553 | |
| 603 | A | A | -0.2073 | |
| 604 | L | A | 1.0385 | |
| 605 | S | A | 0.7231 | |
| 606 | P | A | 0.6619 | |
| 607 | L | A | 1.2276 | |
| 608 | S | A | 0.6806 | |
| 609 | P | A | 0.7920 | |
| 610 | V | A | 2.0394 | |
| 611 | A | A | 1.4115 | |
| 612 | I | A | 1.2797 | |
| 613 | E | A | -1.4496 | |
| 614 | Q | A | -1.7741 | |
| 615 | T | A | -1.0279 | |
| 616 | S | A | -0.1474 | |
| 617 | L | A | 0.8689 | |
| 618 | K | A | -0.1947 | |
| 619 | M | A | 0.9316 | |
| 620 | M | A | 0.8355 | |
| 621 | Q | A | -0.0638 | |
| 622 | A | A | 0.4287 | |
| 623 | V | A | 1.2479 | |
| 624 | G | A | 0.2360 | |
| 625 | G | A | -0.3699 | |
| 626 | A | A | -0.3933 | |
| 627 | P | A | -0.6436 | |
| 628 | A | A | -0.9887 | |
| 629 | R | A | -2.0848 | |
| 630 | P | A | -1.6232 | |
| 631 | T | A | -1.2852 | |
| 632 | G | A | -1.1627 | |
| 633 | E | A | -1.5509 | |
| 634 | Y | A | -0.1666 | |
| 635 | I | A | 0.5638 | |
| 636 | C | A | 0.0000 | |
| 637 | N | A | -1.3743 | |
| 638 | Q | A | -1.2974 | |
| 639 | C | A | -0.3024 | |
| 640 | G | A | -0.4766 | |
| 641 | A | A | -0.6361 | |
| 642 | K | A | -1.3257 | |
| 643 | Y | A | -0.6914 | |
| 644 | T | A | -0.6429 | |
| 645 | S | A | -0.5152 | |
| 646 | L | A | 0.3757 | |
| 647 | D | A | -1.3303 | |
| 648 | S | A | -0.8060 | |
| 649 | F | A | -0.5042 | |
| 650 | Q | A | -1.4118 | |
| 651 | T | A | -1.2722 | |
| 652 | H | A | -0.8805 | |
| 653 | L | A | -0.9710 | |
| 654 | K | A | -1.6767 | |
| 655 | T | A | -0.8908 | |
| 656 | H | A | -0.0984 | |
| 657 | L | A | 0.7743 | |
| 658 | D | A | -0.9571 | |
| 659 | T | A | 0.2967 | |
| 660 | V | A | 1.7346 | |
| 661 | L | A | 0.5781 | |
| 662 | P | A | -0.6833 | |
| 663 | K | A | -2.0377 | |
| 664 | L | A | -1.8449 | |
| 665 | T | A | -2.3299 | |
| 666 | C | A | 0.0000 | |
| 667 | P | A | -1.4662 | |
| 668 | Q | A | -1.7058 | |
| 669 | C | A | -1.7249 | |
| 670 | N | A | -2.7529 | |
| 671 | K | A | -3.2203 | |
| 672 | E | A | -3.2434 | |
| 673 | F | A | -2.0815 | |
| 674 | P | A | -1.8813 | |
| 675 | N | A | -2.2824 | |
| 676 | Q | A | -2.2896 | |
| 677 | E | A | -2.3711 | |
| 678 | S | A | -1.5911 | |
| 679 | L | A | -1.2750 | |
| 680 | L | A | 0.1975 | |
| 681 | K | A | -1.1333 | |
| 682 | H | A | -0.0424 | |
| 683 | V | A | 1.2182 | |
| 684 | T | A | 1.4445 | |
| 685 | I | A | 2.3237 | |
| 686 | H | A | 1.5898 | |
| 687 | F | A | 1.9096 | |
| 688 | M | A | 2.3839 | |
| 689 | I | A | 2.4486 | |
| 690 | T | A | 1.3420 | |
| 691 | S | A | 0.7620 | |
| 692 | T | A | 1.2589 | |
| 693 | Y | A | 1.5847 | |
| 694 | Y | A | 0.7359 | |
| 695 | I | A | 0.0670 | |
| 696 | C | A | 0.0000 | |
| 697 | E | A | -2.3572 | |
| 698 | S | A | -1.3793 | |
| 699 | C | A | -1.6536 | |
| 700 | D | A | -2.9625 | |
| 701 | K | A | -2.7351 | |
| 702 | Q | A | -1.5626 | |
| 703 | F | A | -0.1978 | |
| 704 | T | A | 0.6048 | |
| 705 | S | A | 0.1773 | |
| 706 | V | A | 0.7080 | |
| 707 | D | A | -1.8764 | |
| 708 | D | A | -1.5420 | |
| 709 | L | A | -0.8743 | |
| 710 | Q | A | -1.7425 | |
| 711 | K | A | -2.4672 | |
| 712 | H | A | -1.4127 | |
| 713 | L | A | -0.7480 | |
| 714 | L | A | 0.1420 | |
| 715 | D | A | -1.2228 | |
| 716 | M | A | 0.3224 | |
| 717 | H | A | 0.4302 | |
| 718 | T | A | 1.5664 | |
| 719 | F | A | 2.5575 | |
| 720 | V | A | 2.0800 | |
| 721 | F | A | 2.1570 | |
| 722 | F | A | 0.4861 | |
| 723 | R | A | -1.2155 | |
| 724 | C | A | 0.0000 | |
| 725 | T | A | 0.0003 | |
| 726 | L | A | 0.8157 | |
| 727 | C | A | -0.1033 | |
| 728 | Q | A | -1.2385 | |
| 729 | E | A | -0.9199 | |
| 730 | V | A | 0.0752 | |
| 731 | F | A | -0.1185 | |
| 732 | D | A | -0.4152 | |
| 733 | S | A | -0.0976 | |
| 734 | K | A | -0.9033 | |
| 735 | V | A | 0.9439 | |
| 736 | S | A | 0.5384 | |
| 737 | I | A | 0.3561 | |
| 738 | Q | A | 0.3762 | |
| 739 | L | A | 1.6530 | |
| 740 | H | A | 0.0000 | |
| 741 | L | A | 0.7980 | |
| 742 | A | A | 0.6171 | |
| 743 | V | A | 1.0712 | |
| 744 | K | A | -0.8908 | |
| 745 | H | A | -1.4100 | |
| 746 | S | A | -1.6672 | |
| 747 | N | A | -2.9844 | |
| 748 | E | A | -3.7885 | |
| 749 | K | A | -3.6230 | |
| 750 | K | A | -3.4831 | |
| 751 | V | A | -1.2343 | |
| 752 | Y | A | -1.7627 | |
| 753 | R | A | -2.1059 | |
| 754 | C | A | 0.0000 | |
| 755 | T | A | -0.8089 | |
| 756 | S | A | -0.5624 | |
| 757 | C | A | -0.6270 | |
| 758 | N | A | -1.4243 | |
| 759 | W | A | -0.2598 | |
| 760 | D | A | -1.7894 | |
| 761 | F | A | -1.7747 | |
| 762 | R | A | -2.8672 | |
| 763 | N | A | -2.7000 | |
| 764 | E | A | -2.2458 | |
| 765 | T | A | -1.3107 | |
| 766 | D | A | -1.3934 | |
| 767 | L | A | -1.2078 | |
| 768 | Q | A | -1.1845 | |
| 769 | L | A | -0.3661 | |
| 770 | H | A | 0.0000 | |
| 771 | V | A | -0.9774 | |
| 772 | K | A | -2.1067 | |
| 773 | H | A | -2.1919 | |
| 774 | N | A | -2.0969 | |
| 775 | H | A | -1.8040 | |
| 776 | L | A | -1.9140 | |
| 777 | E | A | -3.2723 | |
| 778 | N | A | -3.3010 | |
| 779 | Q | A | -2.8024 | |
| 780 | G | A | -2.5209 | |
| 781 | K | A | -3.0596 | |
| 782 | V | A | -1.8704 | |
| 783 | H | A | 0.0000 | |
| 784 | K | A | -1.8579 | |
| 785 | C | A | 0.0000 | |
| 786 | I | A | 1.8216 | |
| 787 | F | A | 1.4955 | |
| 788 | C | A | 0.4599 | |
| 789 | G | A | -0.7712 | |
| 790 | E | A | -1.8345 | |
| 791 | S | A | -1.5601 | |
| 792 | F | A | -1.3880 | |
| 793 | G | A | -1.2368 | |
| 794 | T | A | -1.2400 | |
| 795 | E | A | -1.8271 | |
| 796 | V | A | 0.3228 | |
| 797 | E | A | -0.8042 | |
| 798 | L | A | -0.7889 | |
| 799 | Q | A | -0.3579 | |
| 800 | C | A | 0.2968 | |
| 801 | H | A | -0.1603 | |
| 802 | I | A | 0.5331 | |
| 803 | T | A | -0.4008 | |
| 804 | T | A | -0.3623 | |
| 805 | H | A | 0.0000 | |
| 806 | S | A | -1.4097 | |
| 807 | K | A | -2.5655 | |
| 808 | K | A | -2.9067 | |
| 809 | Y | A | -1.9392 | |
| 810 | N | A | -2.3474 | |
| 811 | C | A | 0.0000 | |
| 812 | K | A | -1.3247 | |
| 813 | F | A | 0.4594 | |
| 814 | C | A | 0.0259 | |
| 815 | S | A | -1.0668 | |
| 816 | K | A | -2.0663 | |
| 817 | A | A | -2.0288 | |
| 818 | F | A | -1.3503 | |
| 819 | H | A | -0.8659 | |
| 820 | A | A | 0.0000 | |
| 821 | I | A | 0.2671 | |
| 822 | I | A | 0.4481 | |
| 823 | L | A | -0.2153 | |
| 824 | L | A | -1.5535 | |
| 825 | E | A | -2.2617 | |
| 826 | K | A | -2.8494 | |
| 827 | H | A | -2.6232 | |
| 828 | L | A | -1.9458 | |
| 829 | R | A | -2.8960 | |
| 830 | E | A | -3.6633 | |
| 831 | K | A | -2.8437 | |
| 832 | H | A | -1.1252 | |
| 833 | C | A | -0.4863 | |
| 834 | V | A | 0.1810 | |
| 835 | F | A | 0.8239 | |
| 836 | E | A | -1.4390 | |
| 837 | T | A | -1.1944 | |
| 838 | K | A | -2.2220 | |
| 839 | T | A | -1.6235 | |
| 840 | P | A | -1.1872 | |
| 841 | N | A | -1.3409 | |
| 842 | C | A | -0.1739 | |
| 843 | G | A | -0.7891 | |
| 844 | T | A | -0.8714 | |
| 845 | N | A | -1.6496 | |
| 846 | G | A | -1.1698 | |
| 847 | A | A | -0.9160 | |
| 848 | S | A | -1.5621 | |
| 849 | E | A | -2.2255 | |
| 850 | Q | A | -1.6877 | |
| 851 | V | A | -0.1829 | |
| 852 | Q | A | -2.0823 | |
| 853 | K | A | -3.3099 | |
| 854 | E | A | -3.5538 | |
| 855 | E | A | -2.8301 | |
| 856 | V | A | -0.1752 | |
| 857 | E | A | -0.6615 | |
| 858 | L | A | 0.5630 | |
| 859 | Q | A | -0.3487 | |
| 860 | T | A | 0.7599 | |
| 861 | L | A | 2.0554 | |
| 862 | L | A | 1.9114 | |
| 863 | T | A | 0.3631 | |
| 864 | N | A | -1.1200 | |
| 865 | S | A | -1.7550 | |
| 866 | Q | A | -2.4771 | |
| 867 | E | A | -2.7879 | |
| 868 | S | A | -2.2236 | |
| 869 | H | A | -2.1680 | |
| 870 | N | A | -2.1349 | |
| 871 | S | A | -1.9371 | |
| 872 | H | A | -2.3265 | |
| 873 | D | A | -2.5681 | |
| 874 | G | A | -2.0119 | |
| 875 | S | A | -2.1099 | |
| 876 | E | A | -3.3038 | |
| 877 | E | A | -3.2251 | |
| 878 | D | A | -2.6263 | |
| 879 | V | A | -0.4057 | |
| 880 | D | A | -1.6719 | |
| 881 | T | A | -1.2587 | |
| 882 | S | A | -1.3877 | |
| 883 | E | A | -1.9531 | |
| 884 | P | A | -0.7804 | |
| 885 | M | A | 0.2471 | |
| 886 | Y | A | 0.1779 | |
| 887 | G | A | -0.2106 | |
| 888 | C | A | 0.0000 | |
| 889 | D | A | -0.8359 | |
| 890 | I | A | 1.0482 | |
| 891 | C | A | 0.6301 | |
| 892 | G | A | -0.1399 | |
| 893 | A | A | 0.1631 | |
| 894 | A | A | 0.1707 | |
| 895 | Y | A | 0.5933 | |
| 896 | T | A | 0.2098 | |
| 897 | M | A | 0.2652 | |
| 898 | E | A | -0.6359 | |
| 899 | T | A | -0.2462 | |
| 900 | L | A | 0.4276 | |
| 901 | L | A | -0.1285 | |
| 902 | Q | A | -1.1884 | |
| 903 | N | A | -1.6629 | |
| 904 | H | A | 0.0000 | |
| 905 | Q | A | -1.5131 | |
| 906 | L | A | -1.9033 | |
| 907 | R | A | -3.1466 | |
| 908 | D | A | -2.5821 | |
| 909 | H | A | -1.6954 | |
| 910 | N | A | -2.4284 | |
| 911 | I | A | -1.9155 | |
| 912 | R | A | -2.8482 | |
| 913 | P | A | -2.0069 | |
| 914 | G | A | -1.9246 | |
| 915 | E | A | -2.3317 | |
| 916 | S | A | -0.7404 | |
| 917 | A | A | 0.8338 | |
| 918 | I | A | 2.0700 | |
| 919 | V | A | 1.4281 | |
| 920 | K | A | -1.6708 | |
| 921 | K | A | -3.1075 | |
| 922 | K | A | -3.0279 | |
| 923 | A | A | -1.4218 | |
| 924 | E | A | -1.3899 | |
| 925 | L | A | 0.9220 | |
| 926 | I | A | 1.4901 | |
| 927 | K | A | -0.7662 | |
| 928 | G | A | -0.5287 | |
| 929 | N | A | -1.2829 | |
| 930 | Y | A | -2.0682 | |
| 931 | K | A | -2.6172 | |
| 932 | C | A | 0.0000 | |
| 933 | N | A | -1.0302 | |
| 934 | V | A | 0.9844 | |
| 935 | C | A | 0.1377 | |
| 936 | S | A | -1.1735 | |
| 937 | R | A | -2.1858 | |
| 938 | T | A | -1.9048 | |
| 939 | F | A | 0.0000 | |
| 940 | F | A | 1.0567 | |
| 941 | S | A | -0.7987 | |
| 942 | E | A | -2.6299 | |
| 943 | N | A | -2.6103 | |
| 944 | G | A | -1.7244 | |
| 945 | L | A | -2.8325 | |
| 946 | R | A | -3.7027 | |
| 947 | E | A | -3.6307 | |
| 948 | H | A | -2.1421 | |
| 949 | M | A | -1.4070 | |
| 950 | Q | A | -1.8484 | |
| 951 | T | A | -0.9461 | |
| 952 | H | A | 0.1539 | |
| 953 | L | A | 1.1752 | |
| 954 | G | A | -0.0132 | |
| 955 | P | A | -0.3465 | |
| 956 | V | A | -0.6048 | |
| 957 | K | A | -1.7765 | |
| 958 | H | A | -1.9105 | |
| 959 | Y | A | -0.5358 | |
| 960 | M | A | -0.5156 | |
| 961 | C | A | 0.0000 | |
| 962 | P | A | 0.4924 | |
| 963 | I | A | 1.8257 | |
| 964 | C | A | 0.8043 | |
| 965 | G | A | -0.2909 | |
| 966 | E | A | -1.8985 | |
| 967 | R | A | -2.6504 | |
| 968 | F | A | -1.0399 | |
| 969 | P | A | -0.3628 | |
| 970 | S | A | 0.5007 | |
| 971 | L | A | 1.7868 | |
| 972 | L | A | 1.6786 | |
| 973 | T | A | 0.2297 | |
| 974 | L | A | 0.0000 | |
| 975 | T | A | -0.1799 | |
| 976 | E | A | -1.4532 | |
| 977 | H | A | -1.1726 | |
| 978 | K | A | -1.1346 | |
| 979 | V | A | -1.0708 | |
| 980 | T | A | -1.3134 | |
| 981 | H | A | -0.7157 | |
| 982 | S | A | -1.1077 | |
| 983 | K | A | -2.2641 | |
| 984 | S | A | -1.3819 | |
| 985 | L | A | -1.0974 | |
| 986 | D | A | -2.2900 | |
| 987 | T | A | -1.5100 | |
| 988 | G | A | -1.7227 | |
| 989 | N | A | -1.6679 | |
| 990 | C | A | 0.0000 | |
| 991 | R | A | -1.3583 | |
| 992 | I | A | 0.3831 | |
| 993 | C | A | -0.0445 | |
| 994 | K | A | -1.6130 | |
| 995 | M | A | -0.7550 | |
| 996 | P | A | -1.3061 | |
| 997 | L | A | 0.0000 | |
| 998 | Q | A | -2.2339 | |
| 999 | S | A | -2.4113 | |
| 1000 | E | A | -2.6931 | |
| 1001 | E | A | -3.4136 | |
| 1002 | E | A | -3.0980 | |
| 1003 | F | A | 0.0000 | |
| 1004 | L | A | -2.1522 | |
| 1005 | E | A | -2.8503 | |
| 1006 | H | A | 0.0000 | |
| 1007 | C | A | -1.4137 | |
| 1008 | Q | A | -1.8140 | |
| 1009 | M | A | -0.4150 | |
| 1010 | H | A | -1.0730 | |
| 1011 | P | A | -1.8390 | |
| 1012 | D | A | -2.7345 | |
| 1013 | L | A | -2.2129 | |
| 1014 | R | A | -2.8404 | |
| 1015 | N | A | -2.1312 | |
| 1016 | S | A | -0.4830 | |
| 1017 | L | A | 0.9368 | |
| 1018 | T | A | -0.1277 | |
| 1019 | G | A | -0.5406 | |
| 1020 | F | A | -1.3396 | |
| 1021 | R | A | -1.7433 | |
| 1022 | C | A | 0.0000 | |
| 1023 | V | A | 0.0000 | |
| 1024 | V | A | 0.0000 | |
| 1025 | C | A | -0.7984 | |
| 1026 | M | A | -0.5722 | |
| 1027 | Q | A | -1.1364 | |
| 1028 | T | A | -0.9236 | |
| 1029 | V | A | 0.0000 | |
| 1030 | T | A | -0.0726 | |
| 1031 | S | A | -0.0332 | |
| 1032 | T | A | 0.3052 | |
| 1033 | L | A | 0.9730 | |
| 1034 | E | A | -0.1881 | |
| 1035 | L | A | 0.0000 | |
| 1036 | K | A | -0.4055 | |
| 1037 | I | A | 0.7588 | |
| 1038 | H | A | 0.1333 | |
| 1039 | G | A | 0.0000 | |
| 1040 | T | A | -0.7239 | |
| 1041 | F | A | -0.3862 | |
| 1042 | H | A | -1.3024 | |
| 1043 | M | A | 0.0000 | |
| 1044 | Q | A | -2.4172 | |
| 1045 | K | A | -3.1606 | |
| 1046 | T | A | -2.0811 | |
| 1047 | G | A | -2.1825 | |
| 1048 | N | A | -2.3297 | |
| 1049 | G | A | -1.5215 | |
| 1050 | S | A | -0.2447 | |
| 1051 | A | A | 0.2720 | |
| 1052 | V | A | 1.1550 | |
| 1053 | Q | A | -0.3762 | |
| 1054 | T | A | -0.3944 | |
| 1055 | T | A | -0.9681 | |
| 1056 | G | A | -1.6306 | |
| 1057 | R | A | -2.5520 | |
| 1058 | G | A | -2.1010 | |
| 1059 | Q | A | -1.9948 | |
| 1060 | H | A | -1.3130 | |
| 1061 | V | A | 0.0362 | |
| 1062 | Q | A | -1.6524 | |
| 1063 | K | A | -2.4440 | |
| 1064 | L | A | -1.8895 | |
| 1065 | Y | A | -2.3227 | |
| 1066 | K | A | -2.4383 | |
| 1067 | C | A | 0.0000 | |
| 1068 | A | A | 0.2144 | |
| 1069 | S | A | 0.1159 | |
| 1070 | C | A | 0.1978 | |
| 1071 | L | A | 0.1381 | |
| 1072 | K | A | -1.8246 | |
| 1073 | E | A | -2.7183 | |
| 1074 | F | A | -2.6235 | |
| 1075 | R | A | -3.2318 | |
| 1076 | S | A | -2.9238 | |
| 1077 | K | A | -3.2262 | |
| 1078 | Q | A | -2.6471 | |
| 1079 | D | A | -2.4966 | |
| 1080 | L | A | -1.3182 | |
| 1081 | V | A | -0.0848 | |
| 1082 | K | A | -1.3234 | |
| 1083 | L | A | -0.2042 | |
| 1084 | D | A | -1.1299 | |
| 1085 | I | A | 0.5528 | |
| 1086 | N | A | -0.7944 | |
| 1087 | G | A | -0.6508 | |
| 1088 | L | A | -0.1354 | |
| 1089 | P | A | -0.3552 | |
| 1090 | Y | A | 0.3959 | |
| 1091 | G | A | -0.6701 | |
| 1092 | L | A | 0.1619 | |
| 1093 | C | A | -0.5358 | |
| 1094 | A | A | 0.2585 | |
| 1095 | G | A | 0.0659 | |
| 1096 | C | A | 0.4724 | |
| 1097 | V | A | 0.4622 | |
| 1098 | N | A | -0.5901 | |
| 1099 | L | A | 0.5265 | |
| 1100 | S | A | -0.4892 | |
| 1101 | K | A | -1.5804 | |
| 1102 | S | A | -0.9032 | |
| 1103 | A | A | -0.4439 | |
| 1104 | S | A | -0.4404 | |
| 1105 | P | A | -0.1401 | |
| 1106 | G | A | 0.0833 | |
| 1107 | I | A | 1.4699 | |
| 1108 | N | A | 0.4441 | |
| 1109 | V | A | 1.4056 | |
| 1110 | P | A | 0.0785 | |
| 1111 | P | A | -0.2766 | |
| 1112 | G | A | -0.9216 | |
| 1113 | T | A | -1.3431 | |
| 1114 | N | A | -2.3783 | |
| 1115 | R | A | -2.7063 | |
| 1116 | P | A | -1.2912 | |
| 1117 | G | A | -0.1445 | |
| 1118 | L | A | 0.7721 | |
| 1119 | G | A | -0.7841 | |
| 1120 | Q | A | -2.2584 | |
| 1121 | N | A | -3.1723 | |
| 1122 | E | A | -2.9958 | |
| 1123 | N | A | -1.6272 | |
| 1124 | L | A | 0.4297 | |
| 1125 | S | A | 0.6906 | |
| 1126 | A | A | 0.8420 | |
| 1127 | I | A | 0.9180 | |
| 1128 | E | A | -1.3398 | |
| 1129 | G | A | -1.8807 | |
| 1130 | K | A | -2.9092 | |
| 1131 | G | A | -2.0357 | |
| 1132 | K | A | -1.6160 | |
| 1133 | V | A | 0.6772 | |
| 1134 | G | A | 0.2598 | |
| 1135 | G | A | 0.1128 | |
| 1136 | L | A | 0.3819 | |
| 1137 | K | A | -2.0320 | |
| 1138 | T | A | -2.8392 | |
| 1139 | R | A | -3.0791 | |
| 1140 | C | A | 0.0000 | |
| 1141 | S | A | -1.1211 | |
| 1142 | S | A | -0.0787 | |
| 1143 | C | A | -0.2835 | |
| 1144 | N | A | -1.5395 | |
| 1145 | V | A | -0.5526 | |
| 1146 | K | A | -2.6076 | |
| 1147 | F | A | -2.5949 | |
| 1148 | E | A | -2.8127 | |
| 1149 | S | A | -2.8706 | |
| 1150 | E | A | -3.4284 | |
| 1151 | S | A | -2.3916 | |
| 1152 | E | A | -3.0390 | |
| 1153 | L | A | -2.8409 | |
| 1154 | Q | A | -2.4943 | |
| 1155 | N | A | -2.6252 | |
| 1156 | H | A | -1.0675 | |
| 1157 | I | A | -0.8777 | |
| 1158 | Q | A | -2.0391 | |
| 1159 | T | A | -0.7816 | |
| 1160 | I | A | 0.6722 | |
| 1161 | H | A | -0.4532 | |
| 1162 | R | A | -1.9127 | |
| 1163 | E | A | -1.4240 | |
| 1164 | L | A | 0.8547 | |
| 1165 | V | A | 1.2353 | |
| 1166 | P | A | -0.1711 | |
| 1167 | D | A | -1.8624 | |
| 1168 | S | A | -1.8043 | |
| 1169 | N | A | -1.8536 | |
| 1170 | S | A | -1.1645 | |
| 1171 | T | A | -0.7286 | |
| 1172 | Q | A | -0.8754 | |
| 1173 | L | A | 0.0842 | |
| 1174 | K | A | -1.2384 | |
| 1175 | T | A | -0.9625 | |
| 1176 | P | A | -0.8628 | |
| 1177 | Q | A | -0.4458 | |
| 1178 | V | A | 0.9216 | |
| 1179 | S | A | 0.4348 | |
| 1180 | P | A | 0.3232 | |
| 1181 | M | A | 0.4093 | |
| 1182 | P | A | -0.3083 | |
| 1183 | R | A | -0.7912 | |
| 1184 | I | A | 0.8312 | |
| 1185 | S | A | 0.0768 | |
| 1186 | P | A | -0.4584 | |
| 1187 | S | A | -1.2458 | |
| 1188 | Q | A | -2.0516 | |
| 1189 | S | A | -2.3586 | |
| 1190 | D | A | -3.7866 | |
| 1191 | E | A | -4.1660 | |
| 1192 | K | A | -3.8467 | |
| 1193 | K | A | -3.5164 | |
| 1194 | T | A | -1.4017 | |
| 1195 | Y | A | -0.5862 | |
| 1196 | Q | A | -0.3447 | |
| 1197 | C | A | 0.0000 | |
| 1198 | I | A | 1.4257 | |
| 1199 | K | A | 0.1160 | |
| 1200 | C | A | 0.1804 | |
| 1201 | Q | A | -0.2719 | |
| 1202 | M | A | 0.7892 | |
| 1203 | V | A | 1.2111 | |
| 1204 | F | A | 0.3241 | |
| 1205 | Y | A | -0.0834 | |
| 1206 | N | A | -1.5245 | |
| 1207 | E | A | -1.7588 | |
| 1208 | W | A | 0.1344 | |
| 1209 | D | A | -0.0413 | |
| 1210 | I | A | -0.0183 | |
| 1211 | Q | A | -0.3873 | |
| 1212 | V | A | 0.1878 | |
| 1213 | H | A | 0.3935 | |
| 1214 | V | A | 0.9476 | |
| 1215 | A | A | 0.3946 | |
| 1216 | N | A | -0.3517 | |
| 1217 | H | A | -0.1780 | |
| 1218 | M | A | 1.1787 | |
| 1219 | I | A | 1.1281 | |
| 1220 | D | A | -1.1781 | |
| 1221 | E | A | -0.9480 | |
| 1222 | G | A | -0.6629 | |
| 1223 | L | A | -0.0387 | |
| 1224 | N | A | -2.0388 | |
| 1225 | H | A | -2.5239 | |
| 1226 | E | A | -2.8035 | |
| 1227 | C | A | 0.0000 | |
| 1228 | K | A | -1.6713 | |
| 1229 | L | A | 0.2753 | |
| 1230 | C | A | -0.1582 | |
| 1231 | S | A | -1.3186 | |
| 1232 | Q | A | -1.9280 | |
| 1233 | T | A | -2.3077 | |
| 1234 | F | A | -2.1889 | |
| 1235 | D | A | -2.4863 | |
| 1236 | S | A | -1.6656 | |
| 1237 | P | A | -1.5109 | |
| 1238 | A | A | -1.0459 | |
| 1239 | K | A | -1.8631 | |
| 1240 | L | A | -1.8455 | |
| 1241 | Q | A | -1.2858 | |
| 1242 | C | A | -0.6591 | |
| 1243 | H | A | 0.0000 | |
| 1244 | L | A | 0.1876 | |
| 1245 | I | A | 0.3431 | |
| 1246 | E | A | -0.8612 | |
| 1247 | H | A | -0.1361 | |
| 1248 | S | A | 0.2443 | |
| 1249 | F | A | -0.1918 | |
| 1250 | E | A | -1.6492 | |
| 1251 | G | A | -0.8142 | |
| 1252 | M | A | 0.2086 | |
| 1253 | G | A | -0.2750 | |
| 1254 | G | A | -0.1566 | |
| 1255 | T | A | 0.3770 | |
| 1256 | F | A | 0.0035 | |
| 1257 | K | A | -0.2077 | |
| 1258 | C | A | 0.0000 | |
| 1259 | P | A | 0.5517 | |
| 1260 | V | A | 1.0306 | |
| 1261 | C | A | 1.5808 | |
| 1262 | F | A | 2.1410 | |
| 1263 | T | A | 1.3848 | |
| 1264 | V | A | 1.5844 | |
| 1265 | F | A | 0.7519 | |
| 1266 | V | A | 1.0145 | |
| 1267 | Q | A | -0.9514 | |
| 1268 | A | A | -1.6185 | |
| 1269 | N | A | -2.3231 | |
| 1270 | K | A | -1.9330 | |
| 1271 | L | A | 0.0000 | |
| 1272 | Q | A | -1.4428 | |
| 1273 | Q | A | -1.7942 | |
| 1274 | H | A | -0.8507 | |
| 1275 | I | A | -0.1757 | |
| 1276 | F | A | -0.2934 | |
| 1277 | S | A | -0.5840 | |
| 1278 | A | A | -0.0970 | |
| 1279 | H | A | -0.2290 | |
| 1280 | G | A | -1.2927 | |
| 1281 | Q | A | -2.3786 | |
| 1282 | E | A | -3.0835 | |
| 1283 | D | A | -3.0382 | |
| 1284 | K | A | -2.2451 | |
| 1285 | I | A | -0.2188 | |
| 1286 | Y | A | -0.7982 | |
| 1287 | D | A | -2.2490 | |
| 1288 | C | A | 0.0000 | |
| 1289 | T | A | -1.1281 | |
| 1290 | Q | A | -1.7212 | |
| 1291 | C | A | -1.2466 | |
| 1292 | P | A | -1.1991 | |
| 1293 | Q | A | -1.9816 | |
| 1294 | K | A | -1.9274 | |
| 1295 | F | A | -0.3650 | |
| 1296 | F | A | 0.5529 | |
| 1297 | F | A | 0.2328 | |
| 1298 | Q | A | -1.0667 | |
| 1299 | T | A | -0.9265 | |
| 1300 | E | A | -1.3760 | |
| 1301 | L | A | -1.2943 | |
| 1302 | Q | A | -1.3588 | |
| 1303 | N | A | -2.0524 | |
| 1304 | H | A | -1.5513 | |
| 1305 | T | A | -1.2559 | |
| 1306 | M | A | -1.0705 | |
| 1307 | T | A | -1.0466 | |
| 1308 | Q | A | -1.6976 | |
| 1309 | H | A | -1.3268 | |
| 1310 | S | A | -1.0823 | |
| 1311 | S | A | -0.5319 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6328 | 6.1897 | View | CSV | PDB |
| 4.5 | -0.7304 | 6.1533 | View | CSV | PDB |
| 5.0 | -0.8498 | 6.1182 | View | CSV | PDB |
| 5.5 | -0.9654 | 6.0934 | View | CSV | PDB |
| 6.0 | -1.0502 | 6.0744 | View | CSV | PDB |
| 6.5 | -1.0862 | 6.0474 | View | CSV | PDB |
| 7.0 | -1.0738 | 6.0072 | View | CSV | PDB |
| 7.5 | -1.0291 | 5.9586 | View | CSV | PDB |
| 8.0 | -0.967 | 5.908 | View | CSV | PDB |
| 8.5 | -0.8933 | 5.8606 | View | CSV | PDB |
| 9.0 | -0.8076 | 5.8221 | 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