| Chain sequence(s) |
A: MSKIKWSHPQFEKGGGSGGGSGGSAWSHPQFEKGSGKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSGSGGLEVLFQGSGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLEGGSGGGSGGGSGMSDITVTNWAGNITYTAKELLRPHSLDALRALVADSARVRVLGSGHSFNEIADPGDGGVLLSLAGLPSVVDVDTAARTVRVGGGVRYAELARVVHARGLALPNMASLPHISVAGSVATGTHGSGMGNGSLASMVREVELVTADGSTVVIARGDERFGGAVTSLGALGVVTSLTLDLGS
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:23:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c182c928bbdb06a/tmp/folded.pdb (00:23:10)
[INFO] Main: Simulation completed successfully. (00:33:05)
|
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 | 0.7929 | |
| 2 | S | A | -0.2157 | |
| 3 | K | A | -0.9115 | |
| 4 | I | A | 0.7119 | |
| 5 | K | A | -0.7942 | |
| 6 | W | A | 0.3305 | |
| 7 | S | A | -0.5080 | |
| 8 | H | A | -1.2072 | |
| 9 | P | A | -0.9099 | |
| 10 | Q | A | -1.0760 | |
| 11 | F | A | -0.0957 | |
| 12 | E | A | -2.0849 | |
| 13 | K | A | -2.5003 | |
| 14 | G | A | -1.8332 | |
| 15 | G | A | -1.3828 | |
| 16 | G | A | -0.9985 | |
| 17 | S | A | -0.8695 | |
| 18 | G | A | -0.9988 | |
| 19 | G | A | -1.0137 | |
| 20 | G | A | -1.0055 | |
| 21 | S | A | -0.8823 | |
| 22 | G | A | -0.9468 | |
| 23 | G | A | -0.6947 | |
| 24 | S | A | -0.2363 | |
| 25 | A | A | 0.1753 | |
| 26 | W | A | 0.7079 | |
| 27 | S | A | -0.3697 | |
| 28 | H | A | -0.9659 | |
| 29 | P | A | -0.9408 | |
| 30 | Q | A | -1.4683 | |
| 31 | F | A | -0.2719 | |
| 32 | E | A | -2.2588 | |
| 33 | K | A | -2.5905 | |
| 34 | G | A | -2.0125 | |
| 35 | S | A | -2.1569 | |
| 36 | G | A | -2.1034 | |
| 37 | K | A | -2.9069 | |
| 38 | I | A | 0.0000 | |
| 39 | E | A | -3.4412 | |
| 40 | E | A | -3.1844 | |
| 41 | G | A | -1.9840 | |
| 42 | K | A | -2.0166 | |
| 43 | L | A | 0.0000 | |
| 44 | V | A | -0.3634 | |
| 45 | I | A | 0.0000 | |
| 46 | W | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | N | A | -2.1535 | |
| 49 | G | A | -2.3976 | |
| 50 | D | A | -2.3306 | |
| 51 | K | A | -1.9051 | |
| 52 | G | A | 0.0000 | |
| 53 | Y | A | -1.3047 | |
| 54 | N | A | -1.6648 | |
| 55 | G | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | A | A | -1.5914 | |
| 58 | E | A | -2.7808 | |
| 59 | V | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | K | A | -4.0807 | |
| 62 | K | A | -3.6480 | |
| 63 | F | A | 0.0000 | |
| 64 | E | A | -4.0474 | |
| 65 | K | A | -4.1277 | |
| 66 | D | A | -3.4615 | |
| 67 | T | A | -2.3166 | |
| 68 | G | A | -2.3992 | |
| 69 | I | A | -2.2533 | |
| 70 | K | A | -2.6712 | |
| 71 | V | A | -1.5644 | |
| 72 | T | A | -0.7219 | |
| 73 | V | A | -0.5071 | |
| 74 | E | A | -1.4651 | |
| 75 | H | A | -2.2119 | |
| 76 | P | A | -2.1783 | |
| 77 | D | A | -3.3998 | |
| 78 | K | A | -3.5945 | |
| 79 | L | A | 0.0000 | |
| 80 | E | A | 0.0000 | |
| 81 | E | A | -3.3064 | |
| 82 | K | A | -2.9358 | |
| 83 | F | A | 0.0000 | |
| 84 | P | A | -1.4772 | |
| 85 | Q | A | -1.8742 | |
| 86 | V | A | -1.2308 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | -0.5258 | |
| 89 | T | A | -0.7490 | |
| 90 | G | A | -0.7749 | |
| 91 | D | A | -1.5142 | |
| 92 | G | A | -1.0547 | |
| 93 | P | A | 0.0000 | |
| 94 | D | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | W | A | -0.2315 | |
| 99 | A | A | -0.4088 | |
| 100 | H | A | 0.0000 | |
| 101 | D | A | -1.0520 | |
| 102 | R | A | -1.3735 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -1.2013 | |
| 106 | Y | A | 0.0000 | |
| 107 | A | A | -1.6538 | |
| 108 | Q | A | -1.8195 | |
| 109 | S | A | -1.2188 | |
| 110 | G | A | -1.0782 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | -1.2251 | |
| 114 | E | A | -2.4205 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -1.4944 | |
| 117 | P | A | 0.0000 | |
| 118 | D | A | -2.9258 | |
| 119 | K | A | -3.2573 | |
| 120 | A | A | -2.2388 | |
| 121 | F | A | 0.0000 | |
| 122 | Q | A | -2.5498 | |
| 123 | D | A | -3.1686 | |
| 124 | K | A | -2.3419 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | -0.8676 | |
| 127 | P | A | -0.8443 | |
| 128 | F | A | -0.4838 | |
| 129 | T | A | 0.0000 | |
| 130 | W | A | 0.0000 | |
| 131 | D | A | -1.8715 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | R | A | -2.8548 | |
| 135 | Y | A | -2.5143 | |
| 136 | N | A | -2.6578 | |
| 137 | G | A | -2.7085 | |
| 138 | K | A | -3.0039 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | -0.6179 | |
| 148 | A | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | Y | A | -0.5501 | |
| 154 | N | A | 0.0000 | |
| 155 | K | A | -2.1291 | |
| 156 | D | A | -2.3847 | |
| 157 | L | A | -1.4799 | |
| 158 | L | A | 0.0000 | |
| 159 | P | A | -1.5632 | |
| 160 | N | A | -1.9127 | |
| 161 | P | A | -1.1682 | |
| 162 | P | A | 0.0000 | |
| 163 | K | A | -2.1127 | |
| 164 | T | A | -1.8214 | |
| 165 | W | A | 0.0000 | |
| 166 | E | A | -1.7491 | |
| 167 | E | A | -1.3942 | |
| 168 | I | A | 0.0000 | |
| 169 | P | A | -1.4898 | |
| 170 | A | A | -1.2193 | |
| 171 | L | A | -1.3711 | |
| 172 | D | A | 0.0000 | |
| 173 | K | A | -3.2742 | |
| 174 | E | A | -3.3450 | |
| 175 | L | A | 0.0000 | |
| 176 | K | A | -3.0301 | |
| 177 | A | A | -2.4773 | |
| 178 | K | A | -2.9637 | |
| 179 | G | A | -2.3992 | |
| 180 | K | A | -2.5992 | |
| 181 | S | A | -1.7629 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | M | A | -0.1061 | |
| 185 | F | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | Q | A | -1.0587 | |
| 189 | E | A | -0.7181 | |
| 190 | P | A | 0.0000 | |
| 191 | Y | A | 0.2545 | |
| 192 | F | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | D | A | -1.7011 | |
| 201 | G | A | -0.8430 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | -0.2126 | |
| 204 | A | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | K | A | -1.8934 | |
| 207 | Y | A | -1.8008 | |
| 208 | E | A | -3.2348 | |
| 209 | N | A | -2.9134 | |
| 210 | G | A | -3.1100 | |
| 211 | K | A | -3.4242 | |
| 212 | Y | A | -2.3015 | |
| 213 | D | A | -2.7733 | |
| 214 | I | A | -1.3131 | |
| 215 | K | A | -2.2901 | |
| 216 | D | A | -1.7786 | |
| 217 | V | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | -1.7649 | |
| 221 | N | A | -1.1169 | |
| 222 | A | A | -0.6775 | |
| 223 | G | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | K | A | -1.0941 | |
| 226 | A | A | -0.5647 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | -0.4016 | |
| 230 | F | A | -0.4013 | |
| 231 | L | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | D | A | -1.8954 | |
| 234 | L | A | 0.0000 | |
| 235 | I | A | -2.4863 | |
| 236 | K | A | -3.2607 | |
| 237 | N | A | -3.1369 | |
| 238 | K | A | -3.3475 | |
| 239 | H | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | N | A | -2.6087 | |
| 242 | A | A | -1.9541 | |
| 243 | D | A | -2.1309 | |
| 244 | T | A | 0.0000 | |
| 245 | D | A | -0.8245 | |
| 246 | Y | A | 0.2054 | |
| 247 | S | A | 0.3458 | |
| 248 | I | A | 0.8942 | |
| 249 | A | A | 0.0000 | |
| 250 | E | A | -0.4168 | |
| 251 | A | A | -0.5925 | |
| 252 | A | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | N | A | -2.1511 | |
| 255 | K | A | -2.5861 | |
| 256 | G | A | -2.2703 | |
| 257 | E | A | -2.4948 | |
| 258 | T | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | P | A | 0.0147 | |
| 266 | W | A | 0.1169 | |
| 267 | A | A | 0.0000 | |
| 268 | W | A | 0.0000 | |
| 269 | S | A | -1.1613 | |
| 270 | N | A | -1.9077 | |
| 271 | I | A | 0.0000 | |
| 272 | D | A | -2.4565 | |
| 273 | T | A | -1.7240 | |
| 274 | S | A | -2.1180 | |
| 275 | K | A | -2.7062 | |
| 276 | V | A | -2.2367 | |
| 277 | N | A | -2.1294 | |
| 278 | Y | A | -1.3144 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | T | A | -0.2503 | |
| 282 | V | A | -0.2061 | |
| 283 | L | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | T | A | -1.4813 | |
| 286 | F | A | 0.0000 | |
| 287 | K | A | -2.4823 | |
| 288 | G | A | -2.0379 | |
| 289 | Q | A | -1.8569 | |
| 290 | P | A | -1.3022 | |
| 291 | S | A | 0.0000 | |
| 292 | K | A | -1.0342 | |
| 293 | P | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | G | A | -0.3494 | |
| 297 | V | A | 0.0000 | |
| 298 | L | A | 0.0048 | |
| 299 | S | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | 0.0000 | |
| 304 | A | A | -0.5241 | |
| 305 | A | A | -0.4414 | |
| 306 | S | A | 0.0000 | |
| 307 | P | A | -1.4738 | |
| 308 | N | A | 0.0000 | |
| 309 | K | A | -2.1915 | |
| 310 | E | A | -2.5338 | |
| 311 | L | A | -1.6008 | |
| 312 | A | A | 0.0000 | |
| 313 | K | A | -2.1796 | |
| 314 | E | A | -1.9977 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | N | A | -1.5545 | |
| 319 | Y | A | -1.2502 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | -1.6033 | |
| 323 | D | A | -2.3233 | |
| 324 | E | A | -2.5084 | |
| 325 | G | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | E | A | -2.2778 | |
| 328 | A | A | -2.2265 | |
| 329 | V | A | 0.0000 | |
| 330 | N | A | -1.9239 | |
| 331 | K | A | -2.6044 | |
| 332 | D | A | -2.3138 | |
| 333 | K | A | -2.0935 | |
| 334 | P | A | -1.1956 | |
| 335 | L | A | -0.6194 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | K | A | -1.9274 | |
| 342 | S | A | -1.7745 | |
| 343 | Y | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | E | A | -3.0064 | |
| 346 | E | A | -3.2125 | |
| 347 | L | A | -1.9123 | |
| 348 | V | A | -1.5922 | |
| 349 | K | A | -2.5704 | |
| 350 | D | A | -1.5175 | |
| 351 | P | A | -0.9718 | |
| 352 | R | A | -0.9057 | |
| 353 | I | A | 0.0000 | |
| 354 | A | A | -0.9110 | |
| 355 | A | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | E | A | -1.7967 | |
| 359 | N | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | Q | A | -2.0503 | |
| 362 | K | A | -1.9206 | |
| 363 | G | A | -1.3105 | |
| 364 | E | A | -0.6590 | |
| 365 | I | A | -0.4338 | |
| 366 | M | A | -0.0734 | |
| 367 | P | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | I | A | -0.5705 | |
| 370 | P | A | -0.4636 | |
| 371 | Q | A | 0.0570 | |
| 372 | M | A | 0.0000 | |
| 373 | S | A | 0.3247 | |
| 374 | A | A | 0.0000 | |
| 375 | F | A | 0.0000 | |
| 376 | W | A | 0.0000 | |
| 377 | Y | A | 0.6554 | |
| 378 | A | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | R | A | -0.7895 | |
| 381 | T | A | -0.4295 | |
| 382 | A | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | I | A | -0.6187 | |
| 385 | N | A | -1.1171 | |
| 386 | A | A | 0.0000 | |
| 387 | A | A | -1.2033 | |
| 388 | S | A | -1.5158 | |
| 389 | G | A | -1.6726 | |
| 390 | R | A | -2.3427 | |
| 391 | Q | A | -1.9115 | |
| 392 | T | A | -1.7528 | |
| 393 | V | A | -1.7197 | |
| 394 | D | A | -3.0084 | |
| 395 | E | A | -3.2383 | |
| 396 | A | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | K | A | -3.5823 | |
| 399 | D | A | -3.2280 | |
| 400 | A | A | 0.0000 | |
| 401 | Q | A | -2.2549 | |
| 402 | T | A | -1.7545 | |
| 403 | N | A | -1.9610 | |
| 404 | S | A | 0.0000 | |
| 405 | G | A | -1.5628 | |
| 406 | S | A | -1.1678 | |
| 407 | G | A | 0.0000 | |
| 408 | G | A | -0.4894 | |
| 409 | L | A | -0.4807 | |
| 410 | E | A | -1.6885 | |
| 411 | V | A | -0.4478 | |
| 412 | L | A | 0.3167 | |
| 413 | F | A | -0.4743 | |
| 414 | Q | A | -1.2935 | |
| 415 | G | A | -0.9673 | |
| 416 | S | A | -0.4547 | |
| 417 | G | A | 0.0000 | |
| 418 | V | A | 0.0000 | |
| 419 | Q | A | -0.4485 | |
| 420 | V | A | -0.8783 | |
| 421 | E | A | -1.6742 | |
| 422 | T | A | -0.9028 | |
| 423 | I | A | -0.2272 | |
| 424 | S | A | -0.5843 | |
| 425 | P | A | -0.7633 | |
| 426 | G | A | -1.1429 | |
| 427 | D | A | -1.4581 | |
| 428 | G | A | -1.6131 | |
| 429 | R | A | -2.0320 | |
| 430 | T | A | -1.1171 | |
| 431 | F | A | -0.5657 | |
| 432 | P | A | 0.0000 | |
| 433 | K | A | -2.6821 | |
| 434 | R | A | -3.0695 | |
| 435 | G | A | -2.1778 | |
| 436 | Q | A | -1.9272 | |
| 437 | T | A | -1.5445 | |
| 438 | C | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | H | A | -1.6585 | |
| 442 | Y | A | 0.0000 | |
| 443 | T | A | 0.0000 | |
| 444 | G | A | 0.0000 | |
| 445 | M | A | -1.6635 | |
| 446 | L | A | -2.0063 | |
| 447 | E | A | -3.1237 | |
| 448 | D | A | -3.4398 | |
| 449 | G | A | -2.8483 | |
| 450 | K | A | -3.1876 | |
| 451 | K | A | -2.2330 | |
| 452 | F | A | -0.6006 | |
| 453 | D | A | -1.3499 | |
| 454 | S | A | 0.0000 | |
| 455 | S | A | 0.0000 | |
| 456 | R | A | -3.7949 | |
| 457 | D | A | -4.1275 | |
| 458 | R | A | -4.3732 | |
| 459 | N | A | -4.0393 | |
| 460 | K | A | -3.6264 | |
| 461 | P | A | -1.7918 | |
| 462 | F | A | -0.9467 | |
| 463 | K | A | -1.4340 | |
| 464 | F | A | 0.0000 | |
| 465 | M | A | -1.9041 | |
| 466 | L | A | 0.0000 | |
| 467 | G | A | -2.6053 | |
| 468 | K | A | -3.2474 | |
| 469 | Q | A | -3.0204 | |
| 470 | E | A | -3.0356 | |
| 471 | V | A | -1.6209 | |
| 472 | I | A | -1.0145 | |
| 473 | R | A | -1.8779 | |
| 474 | G | A | 0.0000 | |
| 475 | W | A | 0.0000 | |
| 476 | E | A | -1.8585 | |
| 477 | E | A | -1.1554 | |
| 478 | G | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | A | A | -1.2036 | |
| 481 | Q | A | -1.1610 | |
| 482 | M | A | 0.0000 | |
| 483 | S | A | 0.0000 | |
| 484 | V | A | -0.7785 | |
| 485 | G | A | -1.0559 | |
| 486 | Q | A | -1.0858 | |
| 487 | R | A | -1.2756 | |
| 488 | A | A | 0.0000 | |
| 489 | K | A | -1.1727 | |
| 490 | L | A | 0.0000 | |
| 491 | T | A | -0.2962 | |
| 492 | I | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | P | A | -1.1082 | |
| 495 | D | A | -1.9328 | |
| 496 | Y | A | -1.0473 | |
| 497 | A | A | -0.6146 | |
| 498 | Y | A | -0.3459 | |
| 499 | G | A | -0.9566 | |
| 500 | A | A | -0.7553 | |
| 501 | T | A | -0.4544 | |
| 502 | G | A | -0.4983 | |
| 503 | H | A | -0.5359 | |
| 504 | P | A | -0.4957 | |
| 505 | G | A | -0.2117 | |
| 506 | I | A | 0.5144 | |
| 507 | I | A | 0.0000 | |
| 508 | P | A | -0.4730 | |
| 509 | P | A | -0.7776 | |
| 510 | H | A | -1.4464 | |
| 511 | A | A | 0.0000 | |
| 512 | T | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | V | A | -0.9073 | |
| 515 | F | A | 0.0000 | |
| 516 | D | A | -0.6892 | |
| 517 | V | A | 0.0000 | |
| 518 | E | A | -1.2405 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | -0.3751 | |
| 521 | K | A | -1.1683 | |
| 522 | L | A | -0.9195 | |
| 523 | E | A | -1.2746 | |
| 524 | G | A | -1.0901 | |
| 525 | G | A | -1.2662 | |
| 526 | S | A | -0.9175 | |
| 527 | G | A | -1.0434 | |
| 528 | G | A | -1.0116 | |
| 529 | G | A | -1.0492 | |
| 530 | S | A | -0.8642 | |
| 531 | G | A | -1.0067 | |
| 532 | G | A | -1.1134 | |
| 533 | G | A | -0.9050 | |
| 534 | S | A | -0.5320 | |
| 535 | G | A | -0.5158 | |
| 536 | M | A | -0.0301 | |
| 537 | S | A | -0.7370 | |
| 538 | D | A | -1.6809 | |
| 539 | I | A | -0.5223 | |
| 540 | T | A | -0.5189 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -0.2355 | |
| 543 | N | A | 0.0000 | |
| 544 | W | A | 1.0176 | |
| 545 | A | A | 0.2734 | |
| 546 | G | A | -0.4555 | |
| 547 | N | A | -1.0495 | |
| 548 | I | A | -0.7308 | |
| 549 | T | A | -0.7171 | |
| 550 | Y | A | 0.0000 | |
| 551 | T | A | -1.5725 | |
| 552 | A | A | -1.9573 | |
| 553 | K | A | -2.4968 | |
| 554 | E | A | -1.1490 | |
| 555 | L | A | -0.3005 | |
| 556 | L | A | -0.6423 | |
| 557 | R | A | -1.8211 | |
| 558 | P | A | 0.0000 | |
| 559 | H | A | -1.6238 | |
| 560 | S | A | -1.2182 | |
| 561 | L | A | -0.7528 | |
| 562 | D | A | -1.9235 | |
| 563 | A | A | -1.2965 | |
| 564 | L | A | 0.0000 | |
| 565 | R | A | -1.7359 | |
| 566 | A | A | -1.3424 | |
| 567 | L | A | -1.0571 | |
| 568 | V | A | 0.0000 | |
| 569 | A | A | -1.8041 | |
| 570 | D | A | -2.2643 | |
| 571 | S | A | -1.5443 | |
| 572 | A | A | -1.2198 | |
| 573 | R | A | -2.2826 | |
| 574 | V | A | -0.9508 | |
| 575 | R | A | -0.3929 | |
| 576 | V | A | 0.4303 | |
| 577 | L | A | 0.0498 | |
| 578 | G | A | -0.7278 | |
| 579 | S | A | -0.4280 | |
| 580 | G | A | 0.0627 | |
| 581 | H | A | 0.2645 | |
| 582 | S | A | 0.3012 | |
| 583 | F | A | 0.8973 | |
| 584 | N | A | -1.2506 | |
| 585 | E | A | -1.8771 | |
| 586 | I | A | -0.3568 | |
| 587 | A | A | -0.5867 | |
| 588 | D | A | -1.1429 | |
| 589 | P | A | 0.0000 | |
| 590 | G | A | -1.9546 | |
| 591 | D | A | -2.7296 | |
| 592 | G | A | -2.3679 | |
| 593 | G | A | 0.0000 | |
| 594 | V | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | S | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | A | A | -0.8809 | |
| 600 | G | A | -1.1881 | |
| 601 | L | A | -0.6757 | |
| 602 | P | A | -0.2961 | |
| 603 | S | A | -0.3566 | |
| 604 | V | A | -0.0675 | |
| 605 | V | A | -0.4667 | |
| 606 | D | A | -1.9328 | |
| 607 | V | A | -1.7546 | |
| 608 | D | A | -2.4449 | |
| 609 | T | A | -1.7506 | |
| 610 | A | A | -0.7954 | |
| 611 | A | A | -1.0916 | |
| 612 | R | A | -1.9578 | |
| 613 | T | A | -1.8617 | |
| 614 | V | A | 0.0000 | |
| 615 | R | A | -1.9270 | |
| 616 | V | A | 0.0000 | |
| 617 | G | A | 0.0000 | |
| 618 | G | A | 0.0000 | |
| 619 | G | A | -0.5703 | |
| 620 | V | A | 0.0000 | |
| 621 | R | A | -1.6189 | |
| 622 | Y | A | 0.0000 | |
| 623 | A | A | -1.0315 | |
| 624 | E | A | -1.2198 | |
| 625 | L | A | 0.0000 | |
| 626 | A | A | -1.0682 | |
| 627 | R | A | -2.1348 | |
| 628 | V | A | -1.0804 | |
| 629 | V | A | 0.0000 | |
| 630 | H | A | -2.0538 | |
| 631 | A | A | -1.6294 | |
| 632 | R | A | -2.4965 | |
| 633 | G | A | -1.5732 | |
| 634 | L | A | -1.3858 | |
| 635 | A | A | -0.9013 | |
| 636 | L | A | -0.0620 | |
| 637 | P | A | -0.3940 | |
| 638 | N | A | -0.3842 | |
| 639 | M | A | 0.3172 | |
| 640 | A | A | 0.0000 | |
| 641 | S | A | 0.0469 | |
| 642 | L | A | 0.2007 | |
| 643 | P | A | -0.4491 | |
| 644 | H | A | -0.9928 | |
| 645 | I | A | 0.0000 | |
| 646 | S | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | A | A | 0.0000 | |
| 649 | G | A | -0.3669 | |
| 650 | S | A | 0.0000 | |
| 651 | V | A | 0.0000 | |
| 652 | A | A | 0.1521 | |
| 653 | T | A | 0.1369 | |
| 654 | G | A | -0.3401 | |
| 655 | T | A | -0.4739 | |
| 656 | H | A | -0.8046 | |
| 657 | G | A | -1.0765 | |
| 658 | S | A | -0.9139 | |
| 659 | G | A | -0.6251 | |
| 660 | M | A | 0.2426 | |
| 661 | G | A | -0.5630 | |
| 662 | N | A | -1.1341 | |
| 663 | G | A | -0.9151 | |
| 664 | S | A | -0.7896 | |
| 665 | L | A | 0.0000 | |
| 666 | A | A | -0.5280 | |
| 667 | S | A | -0.7211 | |
| 668 | M | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | R | A | -1.9255 | |
| 671 | E | A | -1.3216 | |
| 672 | V | A | 0.0000 | |
| 673 | E | A | 0.4884 | |
| 674 | L | A | 0.0000 | |
| 675 | V | A | 0.0000 | |
| 676 | T | A | 0.0000 | |
| 677 | A | A | -1.2459 | |
| 678 | D | A | -2.1682 | |
| 679 | G | A | 0.0000 | |
| 680 | S | A | -0.8745 | |
| 681 | T | A | 0.1819 | |
| 682 | V | A | 1.1637 | |
| 683 | V | A | 1.6971 | |
| 684 | I | A | 0.0000 | |
| 685 | A | A | -1.4929 | |
| 686 | R | A | -2.6484 | |
| 687 | G | A | -2.2683 | |
| 688 | D | A | -2.5060 | |
| 689 | E | A | -3.3631 | |
| 690 | R | A | -3.2935 | |
| 691 | F | A | -2.2586 | |
| 692 | G | A | -1.8344 | |
| 693 | G | A | -1.2205 | |
| 694 | A | A | 0.0000 | |
| 695 | V | A | 0.0000 | |
| 696 | T | A | -0.0067 | |
| 697 | S | A | 0.3873 | |
| 698 | L | A | 1.0793 | |
| 699 | G | A | 0.6310 | |
| 700 | A | A | 0.5711 | |
| 701 | L | A | 0.6157 | |
| 702 | G | A | 0.1650 | |
| 703 | V | A | 0.0000 | |
| 704 | V | A | 0.3590 | |
| 705 | T | A | 0.0000 | |
| 706 | S | A | 0.0000 | |
| 707 | L | A | 0.0000 | |
| 708 | T | A | -1.2844 | |
| 709 | L | A | 0.0000 | |
| 710 | D | A | -1.3270 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.6326 | |
| 713 | S | A | -0.6419 |
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 | -0.7588 | 3.8704 | View | CSV | PDB |
| 4.5 | -0.8267 | 3.8204 | View | CSV | PDB |
| 5.0 | -0.9066 | 3.7972 | View | CSV | PDB |
| 5.5 | -0.9835 | 3.8076 | View | CSV | PDB |
| 6.0 | -1.0411 | 3.812 | View | CSV | PDB |
| 6.5 | -1.0677 | 3.8136 | View | CSV | PDB |
| 7.0 | -1.0642 | 3.8141 | View | CSV | PDB |
| 7.5 | -1.0403 | 3.8142 | View | CSV | PDB |
| 8.0 | -1.0043 | 3.8143 | View | CSV | PDB |
| 8.5 | -0.9579 | 3.8143 | View | CSV | PDB |
| 9.0 | -0.9007 | 3.8143 | 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