| Chain sequence(s) |
A: METKENRWVPVTVLPGCVGCRTVAALASWTVRDVKERIFAETGFPVSEQRLWRGGRELSDWIKIGDLTSKNCHLFVNLQSKGLKGGGRFGQTTPPLVDFLKDILRRYPEGGQILKELIQNAEDAGATEVKFLYDETQYGTETLWSKDMAPYQGPALYVYNNAVFTPEDWHGIQEIARSRKKDDPLKVGRFGIGFNSVYHITDVPCIFSGDQIGMLDPHQTLFGPHESGQCWNLKDDSKEISELSDQFAPFVGIFGSTKETFINGNFPGTFFRFPLRLQPSQLSSNLYNKQKVLELFESFRADADTVLLFLKSVQDVSLYVREADGTEKLVFRVTSSESKALKHERPNSIKILGTAISNYCKKTPSNNITCVTYHVNIVLEEESTKDAQKTSWLVCNSVGGRGISSKLDSLADELKFVPIIGIAMPLSSRDDEAKGATSDFSGKAFCFLPLPPGEESSTGLPVHISGFFGLTDNRRSIKWRELDQWRDPAALWNEFLVMNVVPKAYATLGSILKEVTSVVEQAWKLPESERKKIIRRLYLKWHPDKNPENHDIANEVFKHLQNEINRLEKQAFLDQNADRASRRTFSTSASRFQSDKYSFQRFYTSWNQEATSHKSERQQQNKEKCPPSAGQTYSQRFFVPPTFKSVGNPVEARRWLRQARANFSAARNDLHKNANEWVCFKCYLSTKLALIAADYAVRGKSDKDVKPTALAQKIEEYSQQLEGLTNDVHTLEAYGVDSLKTRYPDLLPFPQIPNDRFTSEVAMRVMECTACIIIKLENFMQQKV
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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:26:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ef30576ab73504d/tmp/folded.pdb (00:26:12)
[INFO] Main: Simulation completed successfully. (00:37:29)
|
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 | -0.1811 | |
| 2 | E | A | -2.5860 | |
| 3 | T | A | -2.5407 | |
| 4 | K | A | -3.4914 | |
| 5 | E | A | -3.5688 | |
| 6 | N | A | -3.0223 | |
| 7 | R | A | -2.2334 | |
| 8 | W | A | 0.1244 | |
| 9 | V | A | 0.0000 | |
| 10 | P | A | 0.3787 | |
| 11 | V | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | L | A | 0.3216 | |
| 15 | P | A | -0.3843 | |
| 16 | G | A | -0.6654 | |
| 17 | C | A | 0.0031 | |
| 18 | V | A | 0.1565 | |
| 19 | G | A | -0.0950 | |
| 20 | C | A | -0.1012 | |
| 21 | R | A | -0.6568 | |
| 22 | T | A | -0.1889 | |
| 23 | V | A | -0.0849 | |
| 24 | A | A | 0.1496 | |
| 25 | A | A | 0.0000 | |
| 26 | L | A | -0.6002 | |
| 27 | A | A | -1.6509 | |
| 28 | S | A | -1.6189 | |
| 29 | W | A | -0.7198 | |
| 30 | T | A | -0.7301 | |
| 31 | V | A | 0.0000 | |
| 32 | R | A | -1.5849 | |
| 33 | D | A | -1.4213 | |
| 34 | V | A | 0.0000 | |
| 35 | K | A | 0.0000 | |
| 36 | E | A | -1.9086 | |
| 37 | R | A | -2.1168 | |
| 38 | I | A | 0.0000 | |
| 39 | F | A | -0.3001 | |
| 40 | A | A | -1.0729 | |
| 41 | E | A | -2.0091 | |
| 42 | T | A | -0.8369 | |
| 43 | G | A | -0.6090 | |
| 44 | F | A | -0.1149 | |
| 45 | P | A | -0.0450 | |
| 46 | V | A | -0.6958 | |
| 47 | S | A | -0.7331 | |
| 48 | E | A | -1.4599 | |
| 49 | Q | A | 0.0000 | |
| 50 | R | A | -2.8948 | |
| 51 | L | A | 0.0000 | |
| 52 | W | A | -1.8512 | |
| 53 | R | A | -1.6981 | |
| 54 | G | A | -1.5753 | |
| 55 | G | A | -1.9966 | |
| 56 | R | A | -2.7002 | |
| 57 | E | A | -2.2740 | |
| 58 | L | A | 0.0000 | |
| 59 | S | A | -0.5344 | |
| 60 | D | A | -0.5501 | |
| 61 | W | A | 0.6967 | |
| 62 | I | A | -0.0827 | |
| 63 | K | A | -1.5494 | |
| 64 | I | A | 0.0000 | |
| 65 | G | A | -2.1181 | |
| 66 | D | A | -2.0912 | |
| 67 | L | A | -0.9051 | |
| 68 | T | A | -1.1731 | |
| 69 | S | A | -1.6423 | |
| 70 | K | A | -2.5436 | |
| 71 | N | A | -2.0147 | |
| 72 | C | A | -0.6718 | |
| 73 | H | A | -0.1592 | |
| 74 | L | A | 0.0000 | |
| 75 | F | A | 1.4224 | |
| 76 | V | A | 0.0000 | |
| 77 | N | A | -1.4535 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -2.5428 | |
| 80 | S | A | -2.2138 | |
| 81 | K | A | -2.9448 | |
| 82 | G | A | -1.6273 | |
| 83 | L | A | -0.2393 | |
| 84 | K | A | -1.9452 | |
| 85 | G | A | -1.7593 | |
| 86 | G | A | -1.4782 | |
| 87 | G | A | -1.8393 | |
| 88 | R | A | -1.8946 | |
| 89 | F | A | 0.3870 | |
| 90 | G | A | -0.5716 | |
| 91 | Q | A | -1.2992 | |
| 92 | T | A | -0.6796 | |
| 93 | T | A | -0.6524 | |
| 94 | P | A | -0.6543 | |
| 95 | P | A | -0.5484 | |
| 96 | L | A | -0.1951 | |
| 97 | V | A | -1.0215 | |
| 98 | D | A | -2.0100 | |
| 99 | F | A | -0.5558 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -2.2587 | |
| 102 | D | A | -2.5933 | |
| 103 | I | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -3.3771 | |
| 106 | R | A | -3.2731 | |
| 107 | Y | A | 0.0000 | |
| 108 | P | A | -1.7613 | |
| 109 | E | A | -1.7892 | |
| 110 | G | A | -1.4338 | |
| 111 | G | A | -1.2172 | |
| 112 | Q | A | -0.8584 | |
| 113 | I | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | K | A | 0.0000 | |
| 116 | E | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | N | A | -0.7472 | |
| 121 | A | A | 0.0000 | |
| 122 | E | A | -0.8677 | |
| 123 | D | A | -0.5932 | |
| 124 | A | A | -0.4200 | |
| 125 | G | A | -0.7233 | |
| 126 | A | A | 0.0000 | |
| 127 | T | A | -0.8694 | |
| 128 | E | A | -1.2373 | |
| 129 | V | A | 0.0000 | |
| 130 | K | A | -0.7253 | |
| 131 | F | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | Y | A | 0.0000 | |
| 134 | D | A | 0.0000 | |
| 135 | E | A | -1.5745 | |
| 136 | T | A | -1.4184 | |
| 137 | Q | A | -1.2861 | |
| 138 | Y | A | -0.8681 | |
| 139 | G | A | -1.1158 | |
| 140 | T | A | -1.6567 | |
| 141 | E | A | -2.1658 | |
| 142 | T | A | -1.5445 | |
| 143 | L | A | -1.2057 | |
| 144 | W | A | -0.6702 | |
| 145 | S | A | -1.4227 | |
| 146 | K | A | -2.7733 | |
| 147 | D | A | -2.5433 | |
| 148 | M | A | 0.0000 | |
| 149 | A | A | -1.3003 | |
| 150 | P | A | -0.4693 | |
| 151 | Y | A | -0.0447 | |
| 152 | Q | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | P | A | -0.6935 | |
| 155 | A | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | Y | A | -0.1968 | |
| 160 | N | A | 0.0000 | |
| 161 | N | A | -0.4060 | |
| 162 | A | A | 0.0915 | |
| 163 | V | A | 0.9583 | |
| 164 | F | A | 0.1265 | |
| 165 | T | A | -0.5812 | |
| 166 | P | A | -1.3113 | |
| 167 | E | A | -2.6625 | |
| 168 | D | A | -1.7268 | |
| 169 | W | A | -1.5472 | |
| 170 | H | A | -2.5708 | |
| 171 | G | A | -2.7541 | |
| 172 | I | A | -1.4950 | |
| 173 | Q | A | -2.3169 | |
| 174 | E | A | -2.9321 | |
| 175 | I | A | -1.0117 | |
| 176 | A | A | -1.1288 | |
| 177 | R | A | -2.9738 | |
| 178 | S | A | -2.9691 | |
| 179 | R | A | -4.1794 | |
| 180 | K | A | -3.2654 | |
| 181 | K | A | -3.4050 | |
| 182 | D | A | -3.4526 | |
| 183 | D | A | -2.2794 | |
| 184 | P | A | -0.9063 | |
| 185 | L | A | 0.2762 | |
| 186 | K | A | -0.7418 | |
| 187 | V | A | -0.0360 | |
| 188 | G | A | -0.3407 | |
| 189 | R | A | -1.5422 | |
| 190 | F | A | -0.1924 | |
| 191 | G | A | -1.0294 | |
| 192 | I | A | 0.0126 | |
| 193 | G | A | 0.0000 | |
| 194 | F | A | 0.3009 | |
| 195 | N | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | H | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | D | A | -0.1629 | |
| 203 | V | A | 0.0000 | |
| 204 | P | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | D | A | -1.7906 | |
| 211 | Q | A | -1.1538 | |
| 212 | I | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | L | A | -0.3019 | |
| 216 | D | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | H | A | -0.8839 | |
| 219 | Q | A | -1.2913 | |
| 220 | T | A | -1.0945 | |
| 221 | L | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | G | A | -1.0883 | |
| 224 | P | A | -1.3867 | |
| 225 | H | A | -2.0413 | |
| 226 | E | A | -2.2021 | |
| 227 | S | A | -1.4271 | |
| 228 | G | A | -0.9392 | |
| 229 | Q | A | -0.2719 | |
| 230 | C | A | 0.3008 | |
| 231 | W | A | 0.0000 | |
| 232 | N | A | -1.9445 | |
| 233 | L | A | 0.0000 | |
| 234 | K | A | -3.2556 | |
| 235 | D | A | -3.4985 | |
| 236 | D | A | -2.9059 | |
| 237 | S | A | -2.5761 | |
| 238 | K | A | -3.4003 | |
| 239 | E | A | -2.8182 | |
| 240 | I | A | 0.0000 | |
| 241 | S | A | -2.0949 | |
| 242 | E | A | -2.6236 | |
| 243 | L | A | -1.5482 | |
| 244 | S | A | -1.2201 | |
| 245 | D | A | -1.0217 | |
| 246 | Q | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | A | A | -0.1425 | |
| 249 | P | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | V | A | -0.1079 | |
| 252 | G | A | -0.4395 | |
| 253 | I | A | 0.0000 | |
| 254 | F | A | 0.0359 | |
| 255 | G | A | -0.6944 | |
| 256 | S | A | 0.0000 | |
| 257 | T | A | -1.2917 | |
| 258 | K | A | -2.1343 | |
| 259 | E | A | -2.2963 | |
| 260 | T | A | -1.6116 | |
| 261 | F | A | -0.9507 | |
| 262 | I | A | -0.0899 | |
| 263 | N | A | -1.6928 | |
| 264 | G | A | 0.0000 | |
| 265 | N | A | -2.0076 | |
| 266 | F | A | 0.0000 | |
| 267 | P | A | -0.4331 | |
| 268 | G | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | R | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | R | A | 0.0000 | |
| 277 | L | A | 0.6281 | |
| 278 | Q | A | -0.6666 | |
| 279 | P | A | -0.8846 | |
| 280 | S | A | -0.9710 | |
| 281 | Q | A | -1.7184 | |
| 282 | L | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | S | A | -0.8035 | |
| 285 | N | A | -0.4661 | |
| 286 | L | A | -0.0148 | |
| 287 | Y | A | 0.0000 | |
| 288 | N | A | -1.8574 | |
| 289 | K | A | -2.1335 | |
| 290 | Q | A | -2.4968 | |
| 291 | K | A | -2.4794 | |
| 292 | V | A | 0.0000 | |
| 293 | L | A | -1.8872 | |
| 294 | E | A | -3.2124 | |
| 295 | L | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | E | A | -2.7686 | |
| 298 | S | A | -1.7803 | |
| 299 | F | A | 0.0000 | |
| 300 | R | A | -1.7615 | |
| 301 | A | A | -0.9209 | |
| 302 | D | A | -0.7799 | |
| 303 | A | A | 0.0000 | |
| 304 | D | A | -1.0275 | |
| 305 | T | A | -0.4157 | |
| 306 | V | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | K | A | -0.4709 | |
| 312 | S | A | -0.6592 | |
| 313 | V | A | 0.0000 | |
| 314 | Q | A | -0.9085 | |
| 315 | D | A | -1.0125 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | -0.2812 | |
| 320 | V | A | 0.0000 | |
| 321 | R | A | -1.8629 | |
| 322 | E | A | -2.1423 | |
| 323 | A | A | -1.9491 | |
| 324 | D | A | -2.5344 | |
| 325 | G | A | -2.1766 | |
| 326 | T | A | -2.0711 | |
| 327 | E | A | -2.2863 | |
| 328 | K | A | -1.6214 | |
| 329 | L | A | -0.9808 | |
| 330 | V | A | -0.8281 | |
| 331 | F | A | 0.0000 | |
| 332 | R | A | -1.6186 | |
| 333 | V | A | 0.0000 | |
| 334 | T | A | -1.0314 | |
| 335 | S | A | -0.7032 | |
| 336 | S | A | -1.0495 | |
| 337 | E | A | -1.7645 | |
| 338 | S | A | -1.7646 | |
| 339 | K | A | -2.4744 | |
| 340 | A | A | -1.5980 | |
| 341 | L | A | 0.0000 | |
| 342 | K | A | -3.1594 | |
| 343 | H | A | -2.6176 | |
| 344 | E | A | -2.5250 | |
| 345 | R | A | -1.6092 | |
| 346 | P | A | -1.6355 | |
| 347 | N | A | -1.6742 | |
| 348 | S | A | 0.0000 | |
| 349 | I | A | -0.7030 | |
| 350 | K | A | -1.4039 | |
| 351 | I | A | 0.2111 | |
| 352 | L | A | 0.0000 | |
| 353 | G | A | -0.4568 | |
| 354 | T | A | -0.3527 | |
| 355 | A | A | -0.3871 | |
| 356 | I | A | 0.0000 | |
| 357 | S | A | -0.8818 | |
| 358 | N | A | -1.8857 | |
| 359 | Y | A | 0.0000 | |
| 360 | C | A | -1.5962 | |
| 361 | K | A | -2.7600 | |
| 362 | K | A | -2.9550 | |
| 363 | T | A | -1.9367 | |
| 364 | P | A | -1.6036 | |
| 365 | S | A | -1.5676 | |
| 366 | N | A | -1.9407 | |
| 367 | N | A | -1.8625 | |
| 368 | I | A | -0.7169 | |
| 369 | T | A | -0.0472 | |
| 370 | C | A | 0.1650 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | -0.1517 | |
| 373 | Y | A | 0.0000 | |
| 374 | H | A | -0.6006 | |
| 375 | V | A | 0.0000 | |
| 376 | N | A | -0.8618 | |
| 377 | I | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | -3.0296 | |
| 381 | E | A | -2.6594 | |
| 382 | E | A | -2.9467 | |
| 383 | S | A | -1.8519 | |
| 384 | T | A | -2.5588 | |
| 385 | K | A | -3.3907 | |
| 386 | D | A | -3.6395 | |
| 387 | A | A | -3.0957 | |
| 388 | Q | A | -3.0097 | |
| 389 | K | A | -2.8302 | |
| 390 | T | A | -1.3409 | |
| 391 | S | A | -0.6782 | |
| 392 | W | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | N | A | 0.0000 | |
| 397 | S | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | G | A | -1.1639 | |
| 401 | R | A | 0.0000 | |
| 402 | G | A | -1.3561 | |
| 403 | I | A | -0.8041 | |
| 404 | S | A | -0.6693 | |
| 405 | S | A | -0.8951 | |
| 406 | K | A | -1.3513 | |
| 407 | L | A | 0.0000 | |
| 408 | D | A | -1.5004 | |
| 409 | S | A | -1.5819 | |
| 410 | L | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | D | A | -2.4862 | |
| 413 | E | A | -2.4823 | |
| 414 | L | A | -1.6844 | |
| 415 | K | A | -2.1256 | |
| 416 | F | A | -0.8545 | |
| 417 | V | A | 0.0000 | |
| 418 | P | A | 0.0000 | |
| 419 | I | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | M | A | 0.2349 | |
| 425 | P | A | 0.0623 | |
| 426 | L | A | -0.2064 | |
| 427 | S | A | -1.6927 | |
| 428 | S | A | -2.5833 | |
| 429 | R | A | -3.7311 | |
| 430 | D | A | -4.2449 | |
| 431 | D | A | -4.3520 | |
| 432 | E | A | -3.4660 | |
| 433 | A | A | -2.2322 | |
| 434 | K | A | -2.8108 | |
| 435 | G | A | -1.9930 | |
| 436 | A | A | -1.0717 | |
| 437 | T | A | -1.0921 | |
| 438 | S | A | -1.8240 | |
| 439 | D | A | -2.0470 | |
| 440 | F | A | -0.7170 | |
| 441 | S | A | -0.7880 | |
| 442 | G | A | 0.0000 | |
| 443 | K | A | -1.4339 | |
| 444 | A | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | C | A | 0.3007 | |
| 447 | F | A | 0.2649 | |
| 448 | L | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | P | A | -1.4487 | |
| 452 | P | A | -1.5346 | |
| 453 | G | A | -2.3421 | |
| 454 | E | A | -3.1571 | |
| 455 | E | A | -3.2843 | |
| 456 | S | A | 0.0000 | |
| 457 | S | A | -1.9122 | |
| 458 | T | A | -1.0488 | |
| 459 | G | A | -0.6802 | |
| 460 | L | A | 0.0838 | |
| 461 | P | A | -0.2581 | |
| 462 | V | A | 0.0000 | |
| 463 | H | A | 0.0000 | |
| 464 | I | A | 0.1279 | |
| 465 | S | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | F | A | 0.0000 | |
| 469 | G | A | 0.0000 | |
| 470 | L | A | -0.4083 | |
| 471 | T | A | -0.9215 | |
| 472 | D | A | -1.5292 | |
| 473 | N | A | -2.0521 | |
| 474 | R | A | 0.0000 | |
| 475 | R | A | -2.4552 | |
| 476 | S | A | -1.4312 | |
| 477 | I | A | -0.4854 | |
| 478 | K | A | -0.8334 | |
| 479 | W | A | -0.7271 | |
| 480 | R | A | -2.5193 | |
| 481 | E | A | -2.4687 | |
| 482 | L | A | -0.5630 | |
| 483 | D | A | -2.1260 | |
| 484 | Q | A | -2.1615 | |
| 485 | W | A | -1.3534 | |
| 486 | R | A | -2.2586 | |
| 487 | D | A | -1.7637 | |
| 488 | P | A | -0.9677 | |
| 489 | A | A | -0.4951 | |
| 490 | A | A | 0.0000 | |
| 491 | L | A | -0.5405 | |
| 492 | W | A | 0.0000 | |
| 493 | N | A | 0.0000 | |
| 494 | E | A | 0.1292 | |
| 495 | F | A | 0.5334 | |
| 496 | L | A | 0.0000 | |
| 497 | V | A | 0.8452 | |
| 498 | M | A | 0.8917 | |
| 499 | N | A | 0.2885 | |
| 500 | V | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | P | A | -0.2859 | |
| 503 | K | A | -0.9475 | |
| 504 | A | A | 0.0000 | |
| 505 | Y | A | -0.0150 | |
| 506 | A | A | -0.4206 | |
| 507 | T | A | -0.2666 | |
| 508 | L | A | 0.0000 | |
| 509 | G | A | -0.7371 | |
| 510 | S | A | -1.1358 | |
| 511 | I | A | -0.5888 | |
| 512 | L | A | -1.0420 | |
| 513 | K | A | -2.3924 | |
| 514 | E | A | -2.5033 | |
| 515 | V | A | 0.0000 | |
| 516 | T | A | -1.6841 | |
| 517 | S | A | -1.6108 | |
| 518 | V | A | -0.9024 | |
| 519 | V | A | 0.0000 | |
| 520 | E | A | -1.9990 | |
| 521 | Q | A | -1.9418 | |
| 522 | A | A | 0.0000 | |
| 523 | W | A | -2.0934 | |
| 524 | K | A | -2.4753 | |
| 525 | L | A | -1.7961 | |
| 526 | P | A | -1.9601 | |
| 527 | E | A | -3.2238 | |
| 528 | S | A | -2.5560 | |
| 529 | E | A | -3.2075 | |
| 530 | R | A | -3.6137 | |
| 531 | K | A | -3.9817 | |
| 532 | K | A | -4.1547 | |
| 533 | I | A | -2.5210 | |
| 534 | I | A | 0.0000 | |
| 535 | R | A | -3.6173 | |
| 536 | R | A | -3.4313 | |
| 537 | L | A | 0.0000 | |
| 538 | Y | A | 0.0000 | |
| 539 | L | A | -1.5361 | |
| 540 | K | A | -2.2899 | |
| 541 | W | A | -1.6730 | |
| 542 | H | A | 0.0000 | |
| 543 | P | A | -1.5532 | |
| 544 | D | A | -1.9354 | |
| 545 | K | A | -2.2895 | |
| 546 | N | A | -2.3427 | |
| 547 | P | A | -2.1622 | |
| 548 | E | A | -2.8436 | |
| 549 | N | A | -2.4135 | |
| 550 | H | A | -2.0487 | |
| 551 | D | A | -1.3357 | |
| 552 | I | A | -0.7903 | |
| 553 | A | A | 0.0000 | |
| 554 | N | A | -1.1539 | |
| 555 | E | A | -1.0384 | |
| 556 | V | A | 0.0000 | |
| 557 | F | A | 0.0000 | |
| 558 | K | A | -1.6030 | |
| 559 | H | A | -1.5181 | |
| 560 | L | A | 0.0000 | |
| 561 | Q | A | -1.7339 | |
| 562 | N | A | -2.1308 | |
| 563 | E | A | 0.0000 | |
| 564 | I | A | 0.0000 | |
| 565 | N | A | -2.4907 | |
| 566 | R | A | -2.4683 | |
| 567 | L | A | 0.0000 | |
| 568 | E | A | -1.7676 | |
| 569 | K | A | -1.9733 | |
| 570 | Q | A | -1.4682 | |
| 571 | A | A | -0.7557 | |
| 572 | F | A | 0.4528 | |
| 573 | L | A | 0.0352 | |
| 574 | D | A | -2.1003 | |
| 575 | Q | A | -2.0306 | |
| 576 | N | A | -1.6466 | |
| 577 | A | A | -1.7827 | |
| 578 | D | A | -3.2339 | |
| 579 | R | A | -3.5530 | |
| 580 | A | A | -2.5598 | |
| 581 | S | A | -2.6071 | |
| 582 | R | A | -3.4142 | |
| 583 | R | A | -2.7812 | |
| 584 | T | A | -0.5086 | |
| 585 | F | A | 1.1095 | |
| 586 | S | A | 0.3947 | |
| 587 | T | A | 0.0812 | |
| 588 | S | A | -0.6191 | |
| 589 | A | A | -0.5083 | |
| 590 | S | A | -0.8133 | |
| 591 | R | A | -1.3381 | |
| 592 | F | A | -0.2152 | |
| 593 | Q | A | -1.3985 | |
| 594 | S | A | -1.5067 | |
| 595 | D | A | -2.4474 | |
| 596 | K | A | -1.8649 | |
| 597 | Y | A | -0.4041 | |
| 598 | S | A | -1.1720 | |
| 599 | F | A | -1.3536 | |
| 600 | Q | A | -2.0390 | |
| 601 | R | A | -2.3980 | |
| 602 | F | A | -0.9668 | |
| 603 | Y | A | -1.1239 | |
| 604 | T | A | -1.5025 | |
| 605 | S | A | -1.5331 | |
| 606 | W | A | -1.4448 | |
| 607 | N | A | -1.8715 | |
| 608 | Q | A | -2.5727 | |
| 609 | E | A | -3.0276 | |
| 610 | A | A | -2.5916 | |
| 611 | T | A | -2.4579 | |
| 612 | S | A | -2.9146 | |
| 613 | H | A | -3.6213 | |
| 614 | K | A | -3.7561 | |
| 615 | S | A | -3.6450 | |
| 616 | E | A | -4.5312 | |
| 617 | R | A | -4.6616 | |
| 618 | Q | A | -4.7507 | |
| 619 | Q | A | -4.8450 | |
| 620 | Q | A | -4.8332 | |
| 621 | N | A | -4.3242 | |
| 622 | K | A | -4.3540 | |
| 623 | E | A | -4.3057 | |
| 624 | K | A | -3.5162 | |
| 625 | C | A | -1.7071 | |
| 626 | P | A | -1.3316 | |
| 627 | P | A | -1.0086 | |
| 628 | S | A | -0.3818 | |
| 629 | A | A | -0.6153 | |
| 630 | G | A | -1.1310 | |
| 631 | Q | A | -1.1426 | |
| 632 | T | A | -0.1590 | |
| 633 | Y | A | 0.4597 | |
| 634 | S | A | -0.5886 | |
| 635 | Q | A | -1.2414 | |
| 636 | R | A | -0.9828 | |
| 637 | F | A | 2.0969 | |
| 638 | F | A | 3.1129 | |
| 639 | V | A | 3.0215 | |
| 640 | P | A | 1.1371 | |
| 641 | P | A | 0.4789 | |
| 642 | T | A | 0.2407 | |
| 643 | F | A | 1.0274 | |
| 644 | K | A | -0.4051 | |
| 645 | S | A | -0.1271 | |
| 646 | V | A | 0.9984 | |
| 647 | G | A | 0.1026 | |
| 648 | N | A | 0.0071 | |
| 649 | P | A | 0.2333 | |
| 650 | V | A | 0.8766 | |
| 651 | E | A | 0.0000 | |
| 652 | A | A | 0.0000 | |
| 653 | R | A | -2.7524 | |
| 654 | R | A | -3.1982 | |
| 655 | W | A | -2.1272 | |
| 656 | L | A | -2.4951 | |
| 657 | R | A | -3.7835 | |
| 658 | Q | A | -2.8070 | |
| 659 | A | A | 0.0000 | |
| 660 | R | A | -2.4834 | |
| 661 | A | A | -1.7675 | |
| 662 | N | A | -1.4849 | |
| 663 | F | A | 0.0000 | |
| 664 | S | A | -1.7082 | |
| 665 | A | A | -1.3762 | |
| 666 | A | A | 0.0000 | |
| 667 | R | A | -2.8402 | |
| 668 | N | A | -2.7570 | |
| 669 | D | A | -2.4101 | |
| 670 | L | A | -2.0481 | |
| 671 | H | A | -2.7587 | |
| 672 | K | A | -3.1747 | |
| 673 | N | A | -2.4814 | |
| 674 | A | A | -1.5627 | |
| 675 | N | A | -1.5988 | |
| 676 | E | A | -0.9795 | |
| 677 | W | A | -0.0444 | |
| 678 | V | A | 0.0000 | |
| 679 | C | A | 0.0000 | |
| 680 | F | A | 0.1170 | |
| 681 | K | A | -0.3897 | |
| 682 | C | A | 0.0000 | |
| 683 | Y | A | 0.0000 | |
| 684 | L | A | 0.0109 | |
| 685 | S | A | 0.0000 | |
| 686 | T | A | 0.0000 | |
| 687 | K | A | -0.5755 | |
| 688 | L | A | -0.7579 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | I | A | 0.0000 | |
| 692 | A | A | 0.0000 | |
| 693 | A | A | 0.0000 | |
| 694 | D | A | 0.0000 | |
| 695 | Y | A | 0.0000 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | -0.2222 | |
| 698 | R | A | -1.3449 | |
| 699 | G | A | 0.0000 | |
| 700 | K | A | -2.5489 | |
| 701 | S | A | -2.3900 | |
| 702 | D | A | -3.1927 | |
| 703 | K | A | -3.2904 | |
| 704 | D | A | -3.0946 | |
| 705 | V | A | -2.3234 | |
| 706 | K | A | -2.5071 | |
| 707 | P | A | 0.0000 | |
| 708 | T | A | -1.5564 | |
| 709 | A | A | -1.1973 | |
| 710 | L | A | 0.0000 | |
| 711 | A | A | 0.0000 | |
| 712 | Q | A | -2.4086 | |
| 713 | K | A | -2.3017 | |
| 714 | I | A | 0.0000 | |
| 715 | E | A | -2.8065 | |
| 716 | E | A | -3.0280 | |
| 717 | Y | A | -1.7117 | |
| 718 | S | A | -1.6382 | |
| 719 | Q | A | -2.4043 | |
| 720 | Q | A | -2.0577 | |
| 721 | L | A | 0.0000 | |
| 722 | E | A | -3.1481 | |
| 723 | G | A | -2.0820 | |
| 724 | L | A | 0.0000 | |
| 725 | T | A | -1.9837 | |
| 726 | N | A | -2.4182 | |
| 727 | D | A | -1.6719 | |
| 728 | V | A | 0.0000 | |
| 729 | H | A | -1.7583 | |
| 730 | T | A | -1.0947 | |
| 731 | L | A | 0.0000 | |
| 732 | E | A | -1.0431 | |
| 733 | A | A | -0.4216 | |
| 734 | Y | A | -0.1496 | |
| 735 | G | A | -0.4563 | |
| 736 | V | A | 0.0000 | |
| 737 | D | A | -0.6453 | |
| 738 | S | A | 0.0154 | |
| 739 | L | A | 0.8575 | |
| 740 | K | A | -0.4486 | |
| 741 | T | A | 0.0000 | |
| 742 | R | A | -0.2254 | |
| 743 | Y | A | 0.2955 | |
| 744 | P | A | -0.3882 | |
| 745 | D | A | -0.9131 | |
| 746 | L | A | 0.2414 | |
| 747 | L | A | 0.0000 | |
| 748 | P | A | 0.2794 | |
| 749 | F | A | 1.4392 | |
| 750 | P | A | 0.4091 | |
| 751 | Q | A | -0.5828 | |
| 752 | I | A | -0.3818 | |
| 753 | P | A | 0.0000 | |
| 754 | N | A | -1.9826 | |
| 755 | D | A | -2.7781 | |
| 756 | R | A | -2.7917 | |
| 757 | F | A | 0.0000 | |
| 758 | T | A | -1.8656 | |
| 759 | S | A | -1.8221 | |
| 760 | E | A | -2.0654 | |
| 761 | V | A | -1.4158 | |
| 762 | A | A | 0.0000 | |
| 763 | M | A | -1.6696 | |
| 764 | R | A | -2.5474 | |
| 765 | V | A | 0.0000 | |
| 766 | M | A | 0.0000 | |
| 767 | E | A | -2.1054 | |
| 768 | C | A | -1.1382 | |
| 769 | T | A | 0.0000 | |
| 770 | A | A | -0.1480 | |
| 771 | C | A | 0.6612 | |
| 772 | I | A | 0.0000 | |
| 773 | I | A | 0.0000 | |
| 774 | I | A | 1.4631 | |
| 775 | K | A | -0.0826 | |
| 776 | L | A | 0.0000 | |
| 777 | E | A | -1.1573 | |
| 778 | N | A | -2.0318 | |
| 779 | F | A | 0.0000 | |
| 780 | M | A | 0.0000 | |
| 781 | Q | A | -2.4448 | |
| 782 | Q | A | -2.3262 | |
| 783 | K | A | -1.6921 | |
| 784 | V | A | 0.3437 |
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 | -0.932 | 6.5713 | View | CSV | PDB |
| 4.5 | -1.0032 | 6.5713 | View | CSV | PDB |
| 5.0 | -1.092 | 6.5713 | View | CSV | PDB |
| 5.5 | -1.1815 | 6.5713 | View | CSV | PDB |
| 6.0 | -1.2524 | 6.5713 | View | CSV | PDB |
| 6.5 | -1.291 | 6.5713 | View | CSV | PDB |
| 7.0 | -1.2955 | 6.5713 | View | CSV | PDB |
| 7.5 | -1.2745 | 6.5713 | View | CSV | PDB |
| 8.0 | -1.2379 | 6.5713 | View | CSV | PDB |
| 8.5 | -1.1901 | 6.5713 | View | CSV | PDB |
| 9.0 | -1.1316 | 6.5713 | 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