| Chain sequence(s) |
A: MHHHHHHDYKDDDDKMKDNTVPLKLIALLANGEFHSGEQLGETLGMSRAAINKHIQTLRDWGVDVFTVPGKGYSLPEPIPLLNAKQILGQLDGGSVAVLPVVDSTNQYLLDRIGELKSGDACIAEYQQAGRGSRGRKWFSPFGANLYLSMFWRLKRGPAAIGLGPVIGIVMAEALRKLGADKVRVKWPNDLYLQDRKLAGILVELAGITGDAAQIVIGAGINVAMRRVEESVVNQGWITLQEAGINLDRNTLAATLIRELRAALELFEQEGLAPYLPRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLEQDGVIKPWMGGEISLRSAEKGSGGGGSADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPPGAYPGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
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] (00:00:02)
[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 A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max 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 (00:16:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/880d0249af8ab0e/tmp/folded.pdb (00:16:07)
[INFO] Main: Simulation completed successfully. (00:27:50)
|
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 | 0.2205 | |
| 2 | H | A | -1.3422 | |
| 3 | H | A | -2.0810 | |
| 4 | H | A | -2.5087 | |
| 5 | H | A | -2.8273 | |
| 6 | H | A | -2.6805 | |
| 7 | H | A | -2.5944 | |
| 8 | D | A | -2.7524 | |
| 9 | Y | A | -1.5736 | |
| 10 | K | A | -3.3453 | |
| 11 | D | A | -4.2133 | |
| 12 | D | A | -4.6275 | |
| 13 | D | A | -4.7920 | |
| 14 | D | A | -4.2542 | |
| 15 | K | A | -3.6698 | |
| 16 | M | A | -1.8066 | |
| 17 | K | A | -2.9034 | |
| 18 | D | A | -2.6093 | |
| 19 | N | A | -1.3996 | |
| 20 | T | A | -1.0124 | |
| 21 | V | A | -0.3568 | |
| 22 | P | A | 0.0000 | |
| 23 | L | A | -0.4968 | |
| 24 | K | A | -1.0103 | |
| 25 | L | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | -0.2255 | |
| 28 | L | A | -0.3145 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | -1.0627 | |
| 31 | N | A | -1.7101 | |
| 32 | G | A | -1.9332 | |
| 33 | E | A | -2.0032 | |
| 34 | F | A | -0.2029 | |
| 35 | H | A | -0.9425 | |
| 36 | S | A | -1.9446 | |
| 37 | G | A | 0.0000 | |
| 38 | E | A | -3.2597 | |
| 39 | Q | A | -2.9485 | |
| 40 | L | A | 0.0000 | |
| 41 | G | A | 0.0000 | |
| 42 | E | A | -2.9878 | |
| 43 | T | A | -1.6221 | |
| 44 | L | A | -1.0422 | |
| 45 | G | A | -1.1906 | |
| 46 | M | A | -0.9435 | |
| 47 | S | A | -1.4895 | |
| 48 | R | A | -2.7019 | |
| 49 | A | A | -1.5131 | |
| 50 | A | A | -1.3624 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | -2.2829 | |
| 53 | K | A | -2.6432 | |
| 54 | H | A | -1.8731 | |
| 55 | I | A | 0.0000 | |
| 56 | Q | A | -2.4628 | |
| 57 | T | A | -1.8586 | |
| 58 | L | A | 0.0000 | |
| 59 | R | A | -1.9880 | |
| 60 | D | A | -2.6431 | |
| 61 | W | A | 0.0000 | |
| 62 | G | A | -1.4347 | |
| 63 | V | A | 0.0000 | |
| 64 | D | A | -1.1728 | |
| 65 | V | A | 0.0000 | |
| 66 | F | A | 1.4450 | |
| 67 | T | A | 0.5021 | |
| 68 | V | A | 0.2945 | |
| 69 | P | A | -0.6817 | |
| 70 | G | A | -1.1807 | |
| 71 | K | A | -1.4433 | |
| 72 | G | A | -1.0667 | |
| 73 | Y | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | P | A | -1.0721 | |
| 77 | E | A | -2.4873 | |
| 78 | P | A | -1.7384 | |
| 79 | I | A | -0.4676 | |
| 80 | P | A | -0.5666 | |
| 81 | L | A | 0.0566 | |
| 82 | L | A | -0.3653 | |
| 83 | N | A | -1.1911 | |
| 84 | A | A | -1.1236 | |
| 85 | K | A | -2.4127 | |
| 86 | Q | A | -2.2793 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | -1.2834 | |
| 89 | G | A | -1.7344 | |
| 90 | Q | A | -1.5782 | |
| 91 | L | A | 0.0000 | |
| 92 | D | A | -2.3403 | |
| 93 | G | A | -1.6425 | |
| 94 | G | A | -1.4527 | |
| 95 | S | A | -0.5811 | |
| 96 | V | A | 0.1385 | |
| 97 | A | A | 0.3380 | |
| 98 | V | A | 0.2749 | |
| 99 | L | A | 0.4856 | |
| 100 | P | A | 0.3191 | |
| 101 | V | A | -0.1533 | |
| 102 | V | A | -0.5699 | |
| 103 | D | A | -1.9508 | |
| 104 | S | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | Q | A | -1.0921 | |
| 108 | Y | A | -0.7535 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | -0.7103 | |
| 111 | D | A | -2.2171 | |
| 112 | R | A | -2.0295 | |
| 113 | I | A | -1.5846 | |
| 114 | G | A | -1.8766 | |
| 115 | E | A | -2.6804 | |
| 116 | L | A | -2.0512 | |
| 117 | K | A | -2.3222 | |
| 118 | S | A | -1.4370 | |
| 119 | G | A | 0.0000 | |
| 120 | D | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | C | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | Q | A | 0.0000 | |
| 128 | Q | A | -1.9785 | |
| 129 | A | A | -1.5132 | |
| 130 | G | A | 0.0000 | |
| 131 | R | A | -2.2786 | |
| 132 | G | A | -1.9144 | |
| 133 | S | A | -2.0117 | |
| 134 | R | A | -2.9256 | |
| 135 | G | A | -2.5077 | |
| 136 | R | A | -3.4248 | |
| 137 | K | A | -2.7744 | |
| 138 | W | A | -0.9336 | |
| 139 | F | A | 0.2567 | |
| 140 | S | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | A | A | -0.2402 | |
| 145 | N | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | W | A | 0.0000 | |
| 153 | R | A | -1.3962 | |
| 154 | L | A | 0.0000 | |
| 155 | K | A | -3.1867 | |
| 156 | R | A | -3.1694 | |
| 157 | G | A | -1.3219 | |
| 158 | P | A | -1.0225 | |
| 159 | A | A | -1.0853 | |
| 160 | A | A | 0.1815 | |
| 161 | I | A | 0.7188 | |
| 162 | G | A | -0.0949 | |
| 163 | L | A | 0.0000 | |
| 164 | G | A | 0.1072 | |
| 165 | P | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | M | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | E | A | -1.7330 | |
| 174 | A | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | R | A | -2.7911 | |
| 177 | K | A | -2.4563 | |
| 178 | L | A | -1.5234 | |
| 179 | G | A | -2.0329 | |
| 180 | A | A | 0.0000 | |
| 181 | D | A | -3.3953 | |
| 182 | K | A | -3.1103 | |
| 183 | V | A | 0.0000 | |
| 184 | R | A | -2.1087 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | P | A | -0.2337 | |
| 189 | N | A | -0.3152 | |
| 190 | D | A | -0.5111 | |
| 191 | L | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | Q | A | -2.3724 | |
| 195 | D | A | -2.2795 | |
| 196 | R | A | -2.0166 | |
| 197 | K | A | -1.3692 | |
| 198 | L | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | G | A | -0.2529 | |
| 201 | I | A | 0.0000 | |
| 202 | L | A | 0.1776 | |
| 203 | V | A | 0.8508 | |
| 204 | E | A | 0.7520 | |
| 205 | L | A | 1.8595 | |
| 206 | A | A | 0.9187 | |
| 207 | G | A | 1.2087 | |
| 208 | I | A | 1.1711 | |
| 209 | T | A | -0.2758 | |
| 210 | G | A | -1.2829 | |
| 211 | D | A | -2.6224 | |
| 212 | A | A | -1.9663 | |
| 213 | A | A | 0.0000 | |
| 214 | Q | A | -0.0316 | |
| 215 | I | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | N | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | A | A | -1.3815 | |
| 225 | M | A | 0.0000 | |
| 226 | R | A | -3.3701 | |
| 227 | R | A | -3.4052 | |
| 228 | V | A | 0.0000 | |
| 229 | E | A | -3.1267 | |
| 230 | E | A | -3.0861 | |
| 231 | S | A | -1.4299 | |
| 232 | V | A | -0.3422 | |
| 233 | V | A | -1.2042 | |
| 234 | N | A | -1.9255 | |
| 235 | Q | A | -2.0960 | |
| 236 | G | A | -1.6963 | |
| 237 | W | A | -1.0830 | |
| 238 | I | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Q | A | -2.4504 | |
| 242 | E | A | -2.7527 | |
| 243 | A | A | -1.8643 | |
| 244 | G | A | -1.6113 | |
| 245 | I | A | -1.5081 | |
| 246 | N | A | -1.9586 | |
| 247 | L | A | -1.1137 | |
| 248 | D | A | -1.2948 | |
| 249 | R | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | T | A | -0.6171 | |
| 252 | L | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | R | A | -2.0536 | |
| 259 | E | A | -1.6366 | |
| 260 | L | A | 0.0000 | |
| 261 | R | A | -1.3505 | |
| 262 | A | A | -1.1751 | |
| 263 | A | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | E | A | -2.3534 | |
| 266 | L | A | -1.6007 | |
| 267 | F | A | 0.0000 | |
| 268 | E | A | -2.5689 | |
| 269 | Q | A | -2.7511 | |
| 270 | E | A | -2.6994 | |
| 271 | G | A | -1.7919 | |
| 272 | L | A | 0.0000 | |
| 273 | A | A | -1.0977 | |
| 274 | P | A | -0.4760 | |
| 275 | Y | A | 0.0000 | |
| 276 | L | A | -1.2006 | |
| 277 | P | A | -1.2934 | |
| 278 | R | A | -1.6509 | |
| 279 | W | A | 0.0000 | |
| 280 | E | A | -2.7223 | |
| 281 | K | A | -2.7503 | |
| 282 | L | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | I | A | -0.7343 | |
| 287 | N | A | -1.1975 | |
| 288 | R | A | -0.9147 | |
| 289 | P | A | -0.6163 | |
| 290 | V | A | 0.0000 | |
| 291 | K | A | -0.3744 | |
| 292 | L | A | 0.0000 | |
| 293 | I | A | -1.3032 | |
| 294 | I | A | -1.6689 | |
| 295 | G | A | -2.1315 | |
| 296 | D | A | -3.0544 | |
| 297 | K | A | -3.1402 | |
| 298 | E | A | -2.5002 | |
| 299 | I | A | -0.2085 | |
| 300 | F | A | 1.1308 | |
| 301 | G | A | 0.6275 | |
| 302 | I | A | 0.1715 | |
| 303 | S | A | 0.0000 | |
| 304 | R | A | -0.8271 | |
| 305 | G | A | 0.0000 | |
| 306 | I | A | -0.6800 | |
| 307 | D | A | -1.4728 | |
| 308 | K | A | -2.3241 | |
| 309 | Q | A | -1.7520 | |
| 310 | G | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | L | A | 0.3134 | |
| 314 | L | A | 0.0000 | |
| 315 | E | A | 0.0259 | |
| 316 | Q | A | -0.3290 | |
| 317 | D | A | -1.4801 | |
| 318 | G | A | -0.4347 | |
| 319 | V | A | 1.1096 | |
| 320 | I | A | 1.0011 | |
| 321 | K | A | -0.3754 | |
| 322 | P | A | -0.3767 | |
| 323 | W | A | 0.2831 | |
| 324 | M | A | 0.3175 | |
| 325 | G | A | -0.3603 | |
| 326 | G | A | -1.0979 | |
| 327 | E | A | -1.6830 | |
| 328 | I | A | 0.0000 | |
| 329 | S | A | -0.8708 | |
| 330 | L | A | 0.0000 | |
| 331 | R | A | -1.0314 | |
| 332 | S | A | -1.1213 | |
| 333 | A | A | -1.0071 | |
| 334 | E | A | -2.3803 | |
| 335 | K | A | -2.6278 | |
| 336 | G | A | -2.0358 | |
| 337 | S | A | -1.4057 | |
| 338 | G | A | -1.3094 | |
| 339 | G | A | -1.1890 | |
| 340 | G | A | -1.1612 | |
| 341 | G | A | -1.1669 | |
| 342 | S | A | -1.3565 | |
| 343 | A | A | -1.5307 | |
| 344 | D | A | -2.2930 | |
| 345 | N | A | -1.1028 | |
| 346 | F | A | 0.5533 | |
| 347 | S | A | 0.1935 | |
| 348 | L | A | 1.0788 | |
| 349 | H | A | -0.5023 | |
| 350 | D | A | -1.1931 | |
| 351 | A | A | 0.1132 | |
| 352 | L | A | 0.7985 | |
| 353 | S | A | -0.4734 | |
| 354 | G | A | -0.7944 | |
| 355 | S | A | -0.7964 | |
| 356 | G | A | -1.4012 | |
| 357 | N | A | -2.0642 | |
| 358 | P | A | -1.8081 | |
| 359 | N | A | -2.0712 | |
| 360 | P | A | -1.6131 | |
| 361 | Q | A | -1.5860 | |
| 362 | G | A | -0.6293 | |
| 363 | W | A | 0.4173 | |
| 364 | P | A | 0.0283 | |
| 365 | G | A | -0.0760 | |
| 366 | A | A | 0.3703 | |
| 367 | W | A | 0.5061 | |
| 368 | G | A | -0.7430 | |
| 369 | N | A | -1.9024 | |
| 370 | Q | A | -1.9241 | |
| 371 | P | A | -1.2577 | |
| 372 | A | A | -0.7169 | |
| 373 | G | A | -0.5537 | |
| 374 | A | A | -0.5173 | |
| 375 | G | A | -0.5470 | |
| 376 | G | A | -0.1469 | |
| 377 | Y | A | 0.7488 | |
| 378 | P | A | 0.1239 | |
| 379 | G | A | -0.3147 | |
| 380 | A | A | 0.0946 | |
| 381 | S | A | 0.3016 | |
| 382 | Y | A | 0.9857 | |
| 383 | P | A | 0.1488 | |
| 384 | G | A | 0.0084 | |
| 385 | A | A | 0.4486 | |
| 386 | Y | A | 0.9950 | |
| 387 | P | A | -0.0292 | |
| 388 | G | A | -0.8370 | |
| 389 | Q | A | -1.4958 | |
| 390 | A | A | -0.8490 | |
| 391 | P | A | -0.7110 | |
| 392 | P | A | -0.5896 | |
| 393 | G | A | -0.3544 | |
| 394 | A | A | 0.3521 | |
| 395 | Y | A | 1.0097 | |
| 396 | P | A | 0.0242 | |
| 397 | G | A | -0.8901 | |
| 398 | Q | A | -1.5003 | |
| 399 | A | A | -0.8221 | |
| 400 | P | A | -0.6895 | |
| 401 | P | A | -0.5886 | |
| 402 | G | A | -0.3330 | |
| 403 | A | A | 0.3266 | |
| 404 | Y | A | 1.0028 | |
| 405 | P | A | 0.2686 | |
| 406 | G | A | -0.3323 | |
| 407 | A | A | -0.4620 | |
| 408 | P | A | -0.5410 | |
| 409 | G | A | -0.2758 | |
| 410 | A | A | 0.3186 | |
| 411 | Y | A | 0.9931 | |
| 412 | P | A | 0.2204 | |
| 413 | G | A | -0.2998 | |
| 414 | A | A | -0.3386 | |
| 415 | P | A | -0.3499 | |
| 416 | A | A | -0.2861 | |
| 417 | P | A | -0.1273 | |
| 418 | G | A | 0.6203 | |
| 419 | V | A | 2.0445 | |
| 420 | Y | A | 1.8229 | |
| 421 | P | A | 0.5607 | |
| 422 | G | A | -0.4933 | |
| 423 | P | A | -0.7424 | |
| 424 | P | A | -0.6879 | |
| 425 | S | A | -0.6706 | |
| 426 | G | A | -0.8636 | |
| 427 | P | A | -0.7780 | |
| 428 | G | A | -0.4059 | |
| 429 | A | A | 0.3530 | |
| 430 | Y | A | 1.0657 | |
| 431 | P | A | 0.3417 | |
| 432 | S | A | -0.2535 | |
| 433 | S | A | -0.8376 | |
| 434 | G | A | -1.2547 | |
| 435 | Q | A | -1.6501 | |
| 436 | P | A | -1.0890 | |
| 437 | S | A | -0.5698 | |
| 438 | A | A | -0.2355 | |
| 439 | T | A | -0.1542 | |
| 440 | G | A | -0.1075 | |
| 441 | A | A | 0.4008 | |
| 442 | Y | A | 1.0690 | |
| 443 | P | A | 0.2683 | |
| 444 | A | A | 0.0653 | |
| 445 | T | A | -0.0331 | |
| 446 | G | A | -0.1652 | |
| 447 | P | A | 0.2209 | |
| 448 | Y | A | 0.9135 | |
| 449 | G | A | 0.0176 | |
| 450 | A | A | -0.0330 | |
| 451 | P | A | -0.1728 | |
| 452 | A | A | -0.3726 | |
| 453 | G | A | -0.2450 | |
| 454 | P | A | -0.2126 | |
| 455 | L | A | 0.4955 | |
| 456 | I | A | 1.6768 | |
| 457 | V | A | 0.6065 | |
| 458 | P | A | 0.0518 | |
| 459 | Y | A | 0.1017 | |
| 460 | N | A | -1.2612 | |
| 461 | L | A | 0.0000 | |
| 462 | P | A | -1.0285 | |
| 463 | L | A | 0.0000 | |
| 464 | P | A | -1.0844 | |
| 465 | G | A | -1.3370 | |
| 466 | G | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | V | A | -0.4482 | |
| 469 | P | A | -0.6190 | |
| 470 | R | A | -0.3760 | |
| 471 | M | A | 0.0000 | |
| 472 | L | A | 0.4687 | |
| 473 | I | A | 0.0000 | |
| 474 | T | A | 0.0678 | |
| 475 | I | A | 0.0000 | |
| 476 | L | A | -0.0984 | |
| 477 | G | A | 0.0000 | |
| 478 | T | A | -1.9269 | |
| 479 | V | A | 0.0000 | |
| 480 | K | A | -3.0076 | |
| 481 | P | A | -2.2530 | |
| 482 | N | A | -2.4632 | |
| 483 | A | A | 0.0000 | |
| 484 | N | A | -3.1752 | |
| 485 | R | A | -2.7878 | |
| 486 | I | A | 0.0000 | |
| 487 | A | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | D | A | -0.7725 | |
| 490 | F | A | 0.0000 | |
| 491 | Q | A | -1.7385 | |
| 492 | R | A | -2.2080 | |
| 493 | G | A | -1.8156 | |
| 494 | N | A | -2.2469 | |
| 495 | D | A | -1.8213 | |
| 496 | V | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | F | A | 0.0000 | |
| 499 | H | A | -0.3282 | |
| 500 | F | A | 0.0000 | |
| 501 | N | A | 0.0000 | |
| 502 | P | A | 0.0000 | |
| 503 | R | A | -2.6919 | |
| 504 | F | A | 0.0000 | |
| 505 | N | A | -4.1462 | |
| 506 | E | A | -3.5787 | |
| 507 | N | A | -3.2604 | |
| 508 | N | A | -3.7258 | |
| 509 | R | A | -4.4093 | |
| 510 | R | A | -3.8921 | |
| 511 | V | A | 0.0000 | |
| 512 | I | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | C | A | 0.0000 | |
| 515 | N | A | 0.0000 | |
| 516 | T | A | 0.0000 | |
| 517 | K | A | -1.4258 | |
| 518 | L | A | -1.3059 | |
| 519 | D | A | -2.6434 | |
| 520 | N | A | -2.6634 | |
| 521 | N | A | -2.1253 | |
| 522 | W | A | -0.9765 | |
| 523 | G | A | -1.6116 | |
| 524 | R | A | -2.9458 | |
| 525 | E | A | -3.0053 | |
| 526 | E | A | -2.9910 | |
| 527 | R | A | -2.7792 | |
| 528 | Q | A | -1.2068 | |
| 529 | S | A | -0.4963 | |
| 530 | V | A | 1.2342 | |
| 531 | F | A | 0.0115 | |
| 532 | P | A | -0.2980 | |
| 533 | F | A | 0.0000 | |
| 534 | E | A | -2.7657 | |
| 535 | S | A | -2.6419 | |
| 536 | G | A | -2.5866 | |
| 537 | K | A | -2.8019 | |
| 538 | P | A | -1.9230 | |
| 539 | F | A | 0.0000 | |
| 540 | K | A | -0.9614 | |
| 541 | I | A | 0.0000 | |
| 542 | Q | A | -0.7821 | |
| 543 | V | A | 0.0000 | |
| 544 | L | A | -0.1911 | |
| 545 | V | A | 0.0000 | |
| 546 | E | A | -1.8528 | |
| 547 | P | A | -1.8368 | |
| 548 | D | A | -3.0367 | |
| 549 | H | A | -2.5433 | |
| 550 | F | A | 0.0000 | |
| 551 | K | A | -1.6420 | |
| 552 | V | A | 0.0000 | |
| 553 | A | A | -1.5039 | |
| 554 | V | A | 0.0000 | |
| 555 | N | A | -2.1090 | |
| 556 | D | A | -2.5609 | |
| 557 | A | A | -1.6366 | |
| 558 | H | A | -1.7617 | |
| 559 | L | A | 0.0000 | |
| 560 | L | A | -0.8273 | |
| 561 | Q | A | -2.0398 | |
| 562 | Y | A | 0.0000 | |
| 563 | N | A | -2.6577 | |
| 564 | H | A | 0.0000 | |
| 565 | R | A | -1.8534 | |
| 566 | V | A | 0.0000 | |
| 567 | K | A | -3.4480 | |
| 568 | K | A | -3.3521 | |
| 569 | L | A | -2.5558 | |
| 570 | N | A | -2.7888 | |
| 571 | E | A | -3.1859 | |
| 572 | I | A | 0.0000 | |
| 573 | S | A | -1.7296 | |
| 574 | K | A | -1.7979 | |
| 575 | L | A | 0.0000 | |
| 576 | G | A | -0.9060 | |
| 577 | I | A | 0.0000 | |
| 578 | S | A | -0.4846 | |
| 579 | G | A | -1.3260 | |
| 580 | D | A | -2.1251 | |
| 581 | I | A | 0.0000 | |
| 582 | D | A | -1.7792 | |
| 583 | L | A | 0.0000 | |
| 584 | T | A | -0.3281 | |
| 585 | S | A | -0.2588 | |
| 586 | A | A | 0.0000 | |
| 587 | S | A | 0.2901 | |
| 588 | Y | A | 0.6799 | |
| 589 | T | A | 0.5952 | |
| 590 | M | A | 0.4146 | |
| 591 | I | A | 0.7210 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3377 | 4.4874 | View | CSV | PDB |
| 4.5 | -0.3973 | 4.4874 | View | CSV | PDB |
| 5.0 | -0.4682 | 4.4874 | View | CSV | PDB |
| 5.5 | -0.5373 | 4.4874 | View | CSV | PDB |
| 6.0 | -0.5911 | 4.4874 | View | CSV | PDB |
| 6.5 | -0.6227 | 4.4874 | View | CSV | PDB |
| 7.0 | -0.6347 | 4.4874 | View | CSV | PDB |
| 7.5 | -0.6341 | 4.4874 | View | CSV | PDB |
| 8.0 | -0.6254 | 4.4874 | View | CSV | PDB |
| 8.5 | -0.6088 | 4.4874 | View | CSV | PDB |
| 9.0 | -0.5826 | 4.4874 | 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