| Chain sequence(s) |
A: MTLNIEDEYRLHETSKEPDVSLGSTWLSDFPQAWAETGGMGLAVRQAPLIIPLKATSTPVSIKQYPMSQEARLGIKPHIQRLLDQGILVPCQSPWNTPLLPVKKPGTNDYRPVQDLREVNKRVEDIHPTVPNPYNLLSGLPPSHQWYTVLDLKDAFFCLRLHPTSQPLFAFEWRDPEMGISGQLTWTRLPQGFKNSPTLFNEALHRDLADFRIQHPDLILLQYVDDLLLAATSELDCQQGTRALLQTLGNLGYRASAKKAQICQKQVKYLGYLLKEGQRWLTEARKETVMGQPTPKTPRQLREFLGKAGFCRLFIPGFAEMAAPLYPLTKPGTLFNWGPDQQKAYQEIKQALLTAPALGLPDLTKPFELFVDEKQGYAKGVLTQKLGPWRRPVAYLSKKLDPVAAGWPPCLRMVAAIAVLTKDAGKLTMGQPLVILAPHAVEALVKQPPDRWLSNARMTHYQALLLDTDRVQFGPVVALNPATLLPLPEEGLQHNCLDILAEAHGTRPDLTDQPLPDADHTWYTDGSSLLQEGQRKAGAAVTTETEVIWAKALPAGTSAQRAELIALTQALKMAEGKKLNVYTDSRYAFATAHIHGEIYRRRGWLTSEGKEIKNKDEILALLKALFLPKRLSIIHCPGHQKGHSAEARGNRMADQAARKAAITETPDTSTLLIENSSPSGGSKRTADGSEFE
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ae876a2d9b2939b/tmp/folded.pdb (00:10:26)
[INFO] Main: Simulation completed successfully. (00:14:48)
|
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 | 0.9580 | |
| 2 | T | A | 0.3466 | |
| 3 | L | A | 0.1744 | |
| 4 | N | A | -0.8748 | |
| 5 | I | A | -0.4604 | |
| 6 | E | A | -0.9008 | |
| 7 | D | A | -0.7821 | |
| 8 | E | A | -0.8403 | |
| 9 | Y | A | 0.0000 | |
| 10 | R | A | -0.9263 | |
| 11 | L | A | 0.1608 | |
| 12 | H | A | -1.4726 | |
| 13 | E | A | -2.5519 | |
| 14 | T | A | -1.7940 | |
| 15 | S | A | -2.1319 | |
| 16 | K | A | -3.3553 | |
| 17 | E | A | -3.6056 | |
| 18 | P | A | -2.4798 | |
| 19 | D | A | -1.8977 | |
| 20 | V | A | 0.1884 | |
| 21 | S | A | -0.3449 | |
| 22 | L | A | -0.2648 | |
| 23 | G | A | -0.0387 | |
| 24 | S | A | -0.5379 | |
| 25 | T | A | -0.6554 | |
| 26 | W | A | 0.0000 | |
| 27 | L | A | -0.5056 | |
| 28 | S | A | -1.0275 | |
| 29 | D | A | -1.9473 | |
| 30 | F | A | 0.0000 | |
| 31 | P | A | -1.0480 | |
| 32 | Q | A | -1.2627 | |
| 33 | A | A | 0.0000 | |
| 34 | W | A | 0.0000 | |
| 35 | A | A | -1.2901 | |
| 36 | E | A | -1.2838 | |
| 37 | T | A | -0.7074 | |
| 38 | G | A | -0.7520 | |
| 39 | G | A | -0.6494 | |
| 40 | M | A | -0.4624 | |
| 41 | G | A | 0.0000 | |
| 42 | L | A | 0.4054 | |
| 43 | A | A | 0.0000 | |
| 44 | V | A | 0.7500 | |
| 45 | R | A | -1.2598 | |
| 46 | Q | A | 0.0000 | |
| 47 | A | A | -0.0095 | |
| 48 | P | A | 0.0184 | |
| 49 | L | A | 0.8225 | |
| 50 | I | A | 1.8838 | |
| 51 | I | A | 0.0000 | |
| 52 | P | A | -0.1046 | |
| 53 | L | A | -0.7845 | |
| 54 | K | A | -1.8677 | |
| 55 | A | A | -0.6142 | |
| 56 | T | A | -0.4062 | |
| 57 | S | A | -0.8016 | |
| 58 | T | A | -0.3113 | |
| 59 | P | A | -0.3245 | |
| 60 | V | A | -0.2606 | |
| 61 | S | A | -0.6315 | |
| 62 | I | A | -0.6583 | |
| 63 | K | A | -1.6187 | |
| 64 | Q | A | -0.9478 | |
| 65 | Y | A | 0.2069 | |
| 66 | P | A | -0.2079 | |
| 67 | M | A | -0.3568 | |
| 68 | S | A | -1.1544 | |
| 69 | Q | A | -1.9446 | |
| 70 | E | A | -2.3520 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | -0.9868 | |
| 73 | L | A | 0.0027 | |
| 74 | G | A | -1.0958 | |
| 75 | I | A | 0.0000 | |
| 76 | K | A | 0.0000 | |
| 77 | P | A | -0.6832 | |
| 78 | H | A | -1.2282 | |
| 79 | I | A | 0.0000 | |
| 80 | Q | A | -1.9528 | |
| 81 | R | A | -2.8900 | |
| 82 | L | A | -1.6387 | |
| 83 | L | A | -1.5007 | |
| 84 | D | A | -2.7113 | |
| 85 | Q | A | -1.9926 | |
| 86 | G | A | -1.2113 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | V | A | 0.1443 | |
| 90 | P | A | -0.2808 | |
| 91 | C | A | -0.6532 | |
| 92 | Q | A | -1.4206 | |
| 93 | S | A | -0.9262 | |
| 94 | P | A | -0.5862 | |
| 95 | W | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | P | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | 0.3129 | |
| 101 | P | A | -0.7344 | |
| 102 | V | A | -0.6694 | |
| 103 | K | A | -2.3425 | |
| 104 | K | A | -2.2036 | |
| 105 | P | A | -1.1659 | |
| 106 | G | A | -1.3096 | |
| 107 | T | A | -1.5857 | |
| 108 | N | A | -2.3460 | |
| 109 | D | A | -2.1068 | |
| 110 | Y | A | -1.9138 | |
| 111 | R | A | -1.9253 | |
| 112 | P | A | -0.8911 | |
| 113 | V | A | -0.0993 | |
| 114 | Q | A | 0.0000 | |
| 115 | D | A | -0.7400 | |
| 116 | L | A | 0.0000 | |
| 117 | R | A | -2.8274 | |
| 118 | E | A | -2.0684 | |
| 119 | V | A | 0.0000 | |
| 120 | N | A | -2.5128 | |
| 121 | K | A | -3.1579 | |
| 122 | R | A | -2.2355 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | -2.4360 | |
| 125 | D | A | -2.7355 | |
| 126 | I | A | -1.1064 | |
| 127 | H | A | -1.1819 | |
| 128 | P | A | -0.8145 | |
| 129 | T | A | -0.4993 | |
| 130 | V | A | -0.2537 | |
| 131 | P | A | -0.7191 | |
| 132 | N | A | -1.5025 | |
| 133 | P | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | N | A | -1.9543 | |
| 136 | L | A | -0.7740 | |
| 137 | L | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | G | A | -0.3177 | |
| 140 | L | A | 0.0000 | |
| 141 | P | A | -0.2888 | |
| 142 | P | A | -0.8628 | |
| 143 | S | A | -0.7476 | |
| 144 | H | A | -1.2020 | |
| 145 | Q | A | -2.1608 | |
| 146 | W | A | -1.7287 | |
| 147 | Y | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -1.3190 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -1.9895 | |
| 154 | D | A | -2.0218 | |
| 155 | A | A | 0.0000 | |
| 156 | F | A | -0.6639 | |
| 157 | F | A | -0.5640 | |
| 158 | C | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | R | A | -0.3151 | |
| 161 | L | A | 0.0000 | |
| 162 | H | A | 0.0073 | |
| 163 | P | A | -0.2756 | |
| 164 | T | A | 0.1068 | |
| 165 | S | A | 0.0000 | |
| 166 | Q | A | -0.1257 | |
| 167 | P | A | -0.5395 | |
| 168 | L | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | E | A | -1.6650 | |
| 173 | W | A | 0.0000 | |
| 174 | R | A | -2.2097 | |
| 175 | D | A | 0.0000 | |
| 176 | P | A | -1.5472 | |
| 177 | E | A | -2.0553 | |
| 178 | M | A | -1.0269 | |
| 179 | G | A | -1.0943 | |
| 180 | I | A | -0.8723 | |
| 181 | S | A | -1.0541 | |
| 182 | G | A | -1.1493 | |
| 183 | Q | A | -1.0869 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | 0.0000 | |
| 186 | W | A | 0.0000 | |
| 187 | T | A | -0.3712 | |
| 188 | R | A | -0.6011 | |
| 189 | L | A | 0.0000 | |
| 190 | P | A | 0.0000 | |
| 191 | Q | A | -1.4783 | |
| 192 | G | A | -1.1409 | |
| 193 | F | A | 0.0000 | |
| 194 | K | A | -1.7199 | |
| 195 | N | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | P | A | -0.4358 | |
| 198 | T | A | -0.2992 | |
| 199 | L | A | -0.0980 | |
| 200 | F | A | 0.0000 | |
| 201 | N | A | 0.0000 | |
| 202 | E | A | -1.6616 | |
| 203 | A | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | H | A | -2.2233 | |
| 206 | R | A | -2.8900 | |
| 207 | D | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | A | A | -1.1311 | |
| 210 | D | A | -1.2189 | |
| 211 | F | A | 0.0000 | |
| 212 | R | A | -0.4781 | |
| 213 | I | A | 0.5524 | |
| 214 | Q | A | -1.0140 | |
| 215 | H | A | -1.0920 | |
| 216 | P | A | -0.9237 | |
| 217 | D | A | -1.9342 | |
| 218 | L | A | -0.7918 | |
| 219 | I | A | -0.0634 | |
| 220 | L | A | 0.0313 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | 0.0000 | |
| 223 | Y | A | -0.1700 | |
| 224 | V | A | 0.0000 | |
| 225 | D | A | -0.7099 | |
| 226 | D | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | T | A | -0.8372 | |
| 233 | S | A | -0.9468 | |
| 234 | E | A | -1.6456 | |
| 235 | L | A | -0.0234 | |
| 236 | D | A | -1.4531 | |
| 237 | C | A | 0.0000 | |
| 238 | Q | A | -1.1223 | |
| 239 | Q | A | -1.5652 | |
| 240 | G | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | R | A | -1.5721 | |
| 243 | A | A | -0.9611 | |
| 244 | L | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | Q | A | -1.3559 | |
| 247 | T | A | -0.9647 | |
| 248 | L | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | N | A | -1.3941 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | R | A | -1.0964 | |
| 255 | A | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | K | A | -2.7750 | |
| 259 | K | A | -2.9210 | |
| 260 | A | A | -1.1630 | |
| 261 | Q | A | -1.0009 | |
| 262 | I | A | -0.4498 | |
| 263 | C | A | -1.0214 | |
| 264 | Q | A | -1.8306 | |
| 265 | K | A | -3.1129 | |
| 266 | Q | A | -2.4396 | |
| 267 | V | A | 0.0000 | |
| 268 | K | A | -0.9476 | |
| 269 | Y | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | L | A | -0.5292 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -2.4032 | |
| 276 | E | A | -2.8521 | |
| 277 | G | A | 0.0000 | |
| 278 | Q | A | -1.0737 | |
| 279 | R | A | 0.0000 | |
| 280 | W | A | -0.1167 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | E | A | -2.2960 | |
| 284 | A | A | 0.0000 | |
| 285 | R | A | 0.0000 | |
| 286 | K | A | -1.3290 | |
| 287 | E | A | -1.9772 | |
| 288 | T | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | M | A | -0.8991 | |
| 291 | G | A | -0.9915 | |
| 292 | Q | A | -0.9226 | |
| 293 | P | A | -0.7334 | |
| 294 | T | A | -0.9472 | |
| 295 | P | A | 0.0000 | |
| 296 | K | A | -2.2122 | |
| 297 | T | A | -1.9474 | |
| 298 | P | A | -2.3191 | |
| 299 | R | A | -3.6414 | |
| 300 | Q | A | -3.1072 | |
| 301 | L | A | 0.0000 | |
| 302 | R | A | -3.7034 | |
| 303 | E | A | -3.3470 | |
| 304 | F | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | G | A | -1.4179 | |
| 307 | K | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | G | A | -0.8974 | |
| 310 | F | A | 0.0000 | |
| 311 | C | A | 0.0000 | |
| 312 | R | A | -1.0862 | |
| 313 | L | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | P | A | -0.3902 | |
| 317 | G | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | E | A | -1.7013 | |
| 321 | M | A | -0.9585 | |
| 322 | A | A | 0.0000 | |
| 323 | A | A | -0.6162 | |
| 324 | P | A | -0.8702 | |
| 325 | L | A | 0.0000 | |
| 326 | Y | A | -0.2079 | |
| 327 | P | A | -0.4467 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -1.7464 | |
| 330 | K | A | -2.0892 | |
| 331 | P | A | -1.1105 | |
| 332 | G | A | -0.6293 | |
| 333 | T | A | -0.2058 | |
| 334 | L | A | 0.9524 | |
| 335 | F | A | -0.1251 | |
| 336 | N | A | -0.8594 | |
| 337 | W | A | -0.9853 | |
| 338 | G | A | -1.4177 | |
| 339 | P | A | -1.9827 | |
| 340 | D | A | -2.8943 | |
| 341 | Q | A | -2.2699 | |
| 342 | Q | A | -2.5686 | |
| 343 | K | A | -3.3984 | |
| 344 | A | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | Q | A | -2.8223 | |
| 347 | E | A | -2.1747 | |
| 348 | I | A | 0.0000 | |
| 349 | K | A | -1.2933 | |
| 350 | Q | A | -1.1466 | |
| 351 | A | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | L | A | 0.5551 | |
| 354 | T | A | 0.3388 | |
| 355 | A | A | 0.1184 | |
| 356 | P | A | 0.1424 | |
| 357 | A | A | -0.1003 | |
| 358 | L | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | P | A | 0.0000 | |
| 362 | D | A | -0.7071 | |
| 363 | L | A | -0.0775 | |
| 364 | T | A | -0.5551 | |
| 365 | K | A | -1.3685 | |
| 366 | P | A | -1.2342 | |
| 367 | F | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | -0.6040 | |
| 373 | E | A | 0.0000 | |
| 374 | K | A | -2.1668 | |
| 375 | Q | A | -2.1346 | |
| 376 | G | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | K | A | -1.0307 | |
| 380 | G | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | Q | A | 0.0000 | |
| 385 | K | A | -1.5749 | |
| 386 | L | A | -0.0549 | |
| 387 | G | A | -0.3391 | |
| 388 | P | A | -0.2140 | |
| 389 | W | A | 0.2899 | |
| 390 | R | A | -0.8643 | |
| 391 | R | A | -0.7856 | |
| 392 | P | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | S | A | -1.2653 | |
| 398 | K | A | -2.0636 | |
| 399 | K | A | -2.7892 | |
| 400 | L | A | 0.0000 | |
| 401 | D | A | -1.5122 | |
| 402 | P | A | -1.0916 | |
| 403 | V | A | -0.2486 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -1.0117 | |
| 406 | G | A | 0.0000 | |
| 407 | W | A | 0.0000 | |
| 408 | P | A | 0.0000 | |
| 409 | P | A | -0.4910 | |
| 410 | C | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | R | A | -0.6444 | |
| 413 | M | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | I | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | V | A | -0.5332 | |
| 420 | L | A | 0.0000 | |
| 421 | T | A | 0.0000 | |
| 422 | K | A | -1.9621 | |
| 423 | D | A | -1.7453 | |
| 424 | A | A | 0.0000 | |
| 425 | G | A | -1.7796 | |
| 426 | K | A | -2.2986 | |
| 427 | L | A | 0.0000 | |
| 428 | T | A | 0.0000 | |
| 429 | M | A | 0.0162 | |
| 430 | G | A | -0.8925 | |
| 431 | Q | A | -1.1750 | |
| 432 | P | A | -1.6575 | |
| 433 | L | A | 0.0000 | |
| 434 | V | A | -0.3930 | |
| 435 | I | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | P | A | -0.1959 | |
| 439 | H | A | -0.6534 | |
| 440 | A | A | -0.8460 | |
| 441 | V | A | 0.0000 | |
| 442 | E | A | -2.3916 | |
| 443 | A | A | -1.8305 | |
| 444 | L | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | K | A | -2.6936 | |
| 447 | Q | A | -2.4966 | |
| 448 | P | A | -2.1132 | |
| 449 | P | A | -1.8107 | |
| 450 | D | A | -3.0385 | |
| 451 | R | A | -2.8873 | |
| 452 | W | A | -1.3127 | |
| 453 | L | A | -1.2461 | |
| 454 | S | A | -1.5257 | |
| 455 | N | A | -2.0870 | |
| 456 | A | A | -1.1367 | |
| 457 | R | A | -1.3124 | |
| 458 | M | A | 0.0000 | |
| 459 | T | A | -0.9648 | |
| 460 | H | A | -1.1937 | |
| 461 | Y | A | 0.0000 | |
| 462 | Q | A | -0.9228 | |
| 463 | A | A | -0.3572 | |
| 464 | L | A | -0.5236 | |
| 465 | L | A | 0.0000 | |
| 466 | L | A | -1.0641 | |
| 467 | D | A | -1.7835 | |
| 468 | T | A | -1.9759 | |
| 469 | D | A | -3.0737 | |
| 470 | R | A | -3.0876 | |
| 471 | V | A | 0.0000 | |
| 472 | Q | A | -1.9021 | |
| 473 | F | A | -0.6154 | |
| 474 | G | A | -0.4392 | |
| 475 | P | A | -0.4749 | |
| 476 | V | A | -0.2573 | |
| 477 | V | A | -0.5533 | |
| 478 | A | A | -0.5437 | |
| 479 | L | A | -0.2976 | |
| 480 | N | A | -0.2479 | |
| 481 | P | A | -0.3309 | |
| 482 | A | A | -0.1406 | |
| 483 | T | A | -0.0888 | |
| 484 | L | A | 0.0000 | |
| 485 | L | A | 0.0826 | |
| 486 | P | A | -0.3696 | |
| 487 | L | A | -0.6382 | |
| 488 | P | A | -1.3387 | |
| 489 | E | A | -2.4657 | |
| 490 | E | A | -2.4641 | |
| 491 | G | A | -0.9023 | |
| 492 | L | A | 0.2470 | |
| 493 | Q | A | -1.1361 | |
| 494 | H | A | -1.1476 | |
| 495 | N | A | -1.8649 | |
| 496 | C | A | 0.0000 | |
| 497 | L | A | -0.9510 | |
| 498 | D | A | -2.1120 | |
| 499 | I | A | -1.1271 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | -1.5656 | |
| 502 | E | A | -2.3506 | |
| 503 | A | A | -1.4286 | |
| 504 | H | A | -1.8612 | |
| 505 | G | A | -1.0340 | |
| 506 | T | A | -0.5927 | |
| 507 | R | A | 0.0000 | |
| 508 | P | A | -0.9310 | |
| 509 | D | A | -1.0974 | |
| 510 | L | A | -0.9340 | |
| 511 | T | A | -1.5670 | |
| 512 | D | A | -2.4152 | |
| 513 | Q | A | -2.1313 | |
| 514 | P | A | -1.3120 | |
| 515 | L | A | -1.5812 | |
| 516 | P | A | -1.4520 | |
| 517 | D | A | -2.5561 | |
| 518 | A | A | -2.3777 | |
| 519 | D | A | -2.8972 | |
| 520 | H | A | -1.6355 | |
| 521 | T | A | -0.7257 | |
| 522 | W | A | 0.0000 | |
| 523 | Y | A | 0.0000 | |
| 524 | T | A | 0.0000 | |
| 525 | D | A | -0.7478 | |
| 526 | G | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | S | A | -0.3285 | |
| 529 | L | A | -0.0916 | |
| 530 | L | A | -0.1286 | |
| 531 | Q | A | -1.5515 | |
| 532 | E | A | -2.5448 | |
| 533 | G | A | -1.8798 | |
| 534 | Q | A | -2.1501 | |
| 535 | R | A | -1.7874 | |
| 536 | K | A | -1.3277 | |
| 537 | A | A | 0.0000 | |
| 538 | G | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | 0.0000 | |
| 543 | T | A | -0.7873 | |
| 544 | E | A | -1.6194 | |
| 545 | T | A | -1.1823 | |
| 546 | E | A | -1.3194 | |
| 547 | V | A | 0.1701 | |
| 548 | I | A | 0.9424 | |
| 549 | W | A | 0.3845 | |
| 550 | A | A | -0.5256 | |
| 551 | K | A | -1.5227 | |
| 552 | A | A | -1.2522 | |
| 553 | L | A | -0.5642 | |
| 554 | P | A | -0.6263 | |
| 555 | A | A | -0.7220 | |
| 556 | G | A | -0.9408 | |
| 557 | T | A | 0.0000 | |
| 558 | S | A | -0.7673 | |
| 559 | A | A | -0.5071 | |
| 560 | Q | A | -1.2003 | |
| 561 | R | A | -1.3068 | |
| 562 | A | A | 0.0000 | |
| 563 | E | A | -0.7520 | |
| 564 | L | A | 0.0000 | |
| 565 | I | A | -0.1337 | |
| 566 | A | A | 0.0000 | |
| 567 | L | A | 0.0000 | |
| 568 | T | A | 0.0000 | |
| 569 | Q | A | -0.4722 | |
| 570 | A | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | K | A | -1.6971 | |
| 573 | M | A | -0.9051 | |
| 574 | A | A | 0.0000 | |
| 575 | E | A | -2.6614 | |
| 576 | G | A | -2.3485 | |
| 577 | K | A | -3.0989 | |
| 578 | K | A | -3.2863 | |
| 579 | L | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | Y | A | 0.0000 | |
| 583 | T | A | 0.0000 | |
| 584 | D | A | -1.2200 | |
| 585 | S | A | 0.0000 | |
| 586 | R | A | -1.9662 | |
| 587 | Y | A | -0.9183 | |
| 588 | A | A | 0.0000 | |
| 589 | F | A | -0.7668 | |
| 590 | A | A | -0.4659 | |
| 591 | T | A | 0.0000 | |
| 592 | A | A | 0.0000 | |
| 593 | H | A | -0.4796 | |
| 594 | I | A | -0.3808 | |
| 595 | H | A | -0.6961 | |
| 596 | G | A | 0.0000 | |
| 597 | E | A | 0.0000 | |
| 598 | I | A | -0.5149 | |
| 599 | Y | A | -1.0419 | |
| 600 | R | A | -2.0812 | |
| 601 | R | A | -1.6000 | |
| 602 | R | A | -1.1315 | |
| 603 | G | A | -1.2659 | |
| 604 | W | A | -1.3642 | |
| 605 | L | A | -1.6906 | |
| 606 | T | A | -1.7549 | |
| 607 | S | A | -1.6021 | |
| 608 | E | A | -2.8180 | |
| 609 | G | A | -2.4661 | |
| 610 | K | A | -3.3150 | |
| 611 | E | A | -3.1868 | |
| 612 | I | A | 0.0000 | |
| 613 | K | A | -2.7738 | |
| 614 | N | A | 0.0000 | |
| 615 | K | A | -2.0516 | |
| 616 | D | A | -2.3064 | |
| 617 | E | A | -1.6178 | |
| 618 | I | A | 0.0000 | |
| 619 | L | A | -1.1657 | |
| 620 | A | A | -1.1342 | |
| 621 | L | A | 0.0000 | |
| 622 | L | A | 0.0000 | |
| 623 | K | A | -1.1968 | |
| 624 | A | A | 0.0000 | |
| 625 | L | A | 0.0000 | |
| 626 | F | A | 0.6746 | |
| 627 | L | A | -0.7550 | |
| 628 | P | A | 0.0000 | |
| 629 | K | A | -2.8844 | |
| 630 | R | A | -2.8442 | |
| 631 | L | A | 0.0000 | |
| 632 | S | A | 0.0000 | |
| 633 | I | A | 0.0000 | |
| 634 | I | A | 0.0000 | |
| 635 | H | A | -1.4756 | |
| 636 | C | A | 0.0000 | |
| 637 | P | A | -1.3105 | |
| 638 | G | A | -1.8314 | |
| 639 | H | A | -2.4368 | |
| 640 | Q | A | -2.9964 | |
| 641 | K | A | -3.0492 | |
| 642 | G | A | -2.2920 | |
| 643 | H | A | -2.2032 | |
| 644 | S | A | -1.7495 | |
| 645 | A | A | -1.3886 | |
| 646 | E | A | -1.8590 | |
| 647 | A | A | 0.0000 | |
| 648 | R | A | -3.2192 | |
| 649 | G | A | 0.0000 | |
| 650 | N | A | 0.0000 | |
| 651 | R | A | -2.5744 | |
| 652 | M | A | -1.6524 | |
| 653 | A | A | 0.0000 | |
| 654 | D | A | -1.7600 | |
| 655 | Q | A | -2.1911 | |
| 656 | A | A | 0.0000 | |
| 657 | A | A | 0.0000 | |
| 658 | R | A | -2.1617 | |
| 659 | K | A | -2.4282 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.0000 | |
| 662 | I | A | -0.6533 | |
| 663 | T | A | -1.3623 | |
| 664 | E | A | -2.0251 | |
| 665 | T | A | -1.6760 | |
| 666 | P | A | -1.7105 | |
| 667 | D | A | -2.1535 | |
| 668 | T | A | -0.6595 | |
| 669 | S | A | -0.2375 | |
| 670 | T | A | 0.8763 | |
| 671 | L | A | 2.2206 | |
| 672 | L | A | 2.6031 | |
| 673 | I | A | 1.9055 | |
| 674 | E | A | -0.9208 | |
| 675 | N | A | -1.6793 | |
| 676 | S | A | -1.1933 | |
| 677 | S | A | -1.0728 | |
| 678 | P | A | -0.7623 | |
| 679 | S | A | -0.7467 | |
| 680 | G | A | -0.9291 | |
| 681 | G | A | -1.2206 | |
| 682 | S | A | -1.8142 | |
| 683 | K | A | -2.8183 | |
| 684 | R | A | -2.7324 | |
| 685 | T | A | -1.6979 | |
| 686 | A | A | -1.3550 | |
| 687 | D | A | -2.0907 | |
| 688 | G | A | -1.9626 | |
| 689 | S | A | -1.3837 | |
| 690 | E | A | -1.4957 | |
| 691 | F | A | 0.0016 | |
| 692 | E | A | -1.1228 |
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 | -0.5787 | 3.7458 | View | CSV | PDB |
| 4.5 | -0.6379 | 3.6826 | View | CSV | PDB |
| 5.0 | -0.7099 | 3.5887 | View | CSV | PDB |
| 5.5 | -0.7803 | 3.4796 | View | CSV | PDB |
| 6.0 | -0.8334 | 3.4821 | View | CSV | PDB |
| 6.5 | -0.8592 | 3.487 | View | CSV | PDB |
| 7.0 | -0.8595 | 3.4888 | View | CSV | PDB |
| 7.5 | -0.8435 | 3.4893 | View | CSV | PDB |
| 8.0 | -0.8188 | 3.4895 | View | CSV | PDB |
| 8.5 | -0.7873 | 3.4896 | View | CSV | PDB |
| 9.0 | -0.7478 | 3.4896 | 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