| Chain sequence(s) |
A: MTIVGITFGTEQYLGSAAVLRHSALTTGEFDEFRVFEKKDISWLMDTYPNHFENSRGFGFWCWKPFLIRNVMNQLPDGDVVVYCDSTMYFERSIKPYIDHVEHNNPIVLCRLGGWSDNKNDYRNRRWTKKSVFNSMGAGNTVAEEIQLNASFQVYKNSPETRAFVDQYLQYCLNLDIINDEGRDGGIFDTRHDQSILSIMASEHPRVTFSRDVSQWGKQDPPCSISQPTGGAIELDALDENGVMHNLVNHHRRMMKIPKIAVITPTTGGKFLDACIKSVQSSTLPNIEHWIIVDGREHEGKVDMILEKYRHKHPVIKLVLPNNIGSGGWNGHRVFGSIPWIINADYISYLDDDNIVEPKHFKDLVSSIISTPNAKWSYCLRKLIDNNGNLIGYDNCESLGGISHTVAGRGDYLIDTSCYMIDRDLAISASPAWNARFRDPDGKPEPDRELSKCLLSAAPYGVVRKHSLNYRIGSTGLSVSNNFFVQGNSIFGYDFEKYEDIYVFHFSEKATADFMNARRQYKNRSYALEEWQMTLLKGLDGMNGGKYNLLNGFTNFPNIPNKATILVSLCNPGDLPMDFFKERVDLQRIVYTLESPNIRHQGQWNFNWLTQHFDVALTYFKPIIENKSIHTIFTPHNTHHGDLDDPHDATALLRVNKGVGKSAGMILERRPHLFHTRDYAINGVHLRCLDYLREDLVRGLEDVTVFGINWGEVADGKKIKLGHAKHRSQDENSSVDLKSKFVFDIVVENCDAEGYVSEKLFDSLSAGCVPLYYGNMYDELGDLIPEGDVYFDLKKRNITTGKQLQELLDTLSDERVEGMRKNVIDYREKVLRFAGTKMFAKKVEEAIELSKTTKKNVELV
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6c8b73bf2e1274e/tmp/folded.pdb (00:15:27)
[INFO] Main: Simulation completed successfully. (00:19:57)
|
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 | 0.4525 | |
| 2 | T | A | 0.2093 | |
| 3 | I | A | -0.4599 | |
| 4 | V | A | 0.0000 | |
| 5 | G | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | T | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | 0.0000 | |
| 11 | E | A | -2.3203 | |
| 12 | Q | A | -1.7098 | |
| 13 | Y | A | -0.7235 | |
| 14 | L | A | -0.3675 | |
| 15 | G | A | -0.5853 | |
| 16 | S | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | V | A | 0.2606 | |
| 20 | L | A | 0.0000 | |
| 21 | R | A | -0.2900 | |
| 22 | H | A | -0.2145 | |
| 23 | S | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | L | A | -0.9794 | |
| 26 | T | A | -0.8870 | |
| 27 | T | A | -1.0925 | |
| 28 | G | A | 0.0000 | |
| 29 | E | A | -2.4216 | |
| 30 | F | A | 0.0000 | |
| 31 | D | A | -1.7721 | |
| 32 | E | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | R | A | -0.5490 | |
| 35 | V | A | 0.1079 | |
| 36 | F | A | -0.5076 | |
| 37 | E | A | -1.7192 | |
| 38 | K | A | -2.1446 | |
| 39 | K | A | -2.4562 | |
| 40 | D | A | -1.8912 | |
| 41 | I | A | 0.0000 | |
| 42 | S | A | -1.0757 | |
| 43 | W | A | 0.1309 | |
| 44 | L | A | 0.0000 | |
| 45 | M | A | -0.9917 | |
| 46 | D | A | -1.4621 | |
| 47 | T | A | -0.6456 | |
| 48 | Y | A | -0.6760 | |
| 49 | P | A | -1.4354 | |
| 50 | N | A | -2.1247 | |
| 51 | H | A | 0.0000 | |
| 52 | F | A | -1.4249 | |
| 53 | E | A | -2.7285 | |
| 54 | N | A | -2.3453 | |
| 55 | S | A | -1.5309 | |
| 56 | R | A | -1.1070 | |
| 57 | G | A | -0.2124 | |
| 58 | F | A | -0.0456 | |
| 59 | G | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | W | A | 0.2075 | |
| 62 | C | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | K | A | 0.0000 | |
| 65 | P | A | 0.0000 | |
| 66 | F | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | I | A | 0.0000 | |
| 69 | R | A | -1.4562 | |
| 70 | N | A | -1.3972 | |
| 71 | V | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | N | A | -2.3626 | |
| 74 | Q | A | -2.0959 | |
| 75 | L | A | -1.2824 | |
| 76 | P | A | -1.3973 | |
| 77 | D | A | -2.2211 | |
| 78 | G | A | -0.9980 | |
| 79 | D | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | D | A | -0.4842 | |
| 86 | S | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | Y | A | -0.2747 | |
| 90 | F | A | 0.0000 | |
| 91 | E | A | -1.9946 | |
| 92 | R | A | -1.9573 | |
| 93 | S | A | -1.7022 | |
| 94 | I | A | 0.0000 | |
| 95 | K | A | -2.3110 | |
| 96 | P | A | -1.3122 | |
| 97 | Y | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.9832 | |
| 100 | H | A | -1.7871 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -2.1498 | |
| 103 | H | A | -2.3492 | |
| 104 | N | A | -2.5425 | |
| 105 | N | A | -2.0001 | |
| 106 | P | A | -1.7143 | |
| 107 | I | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | C | A | 0.0000 | |
| 111 | R | A | 0.0000 | |
| 112 | L | A | 0.2900 | |
| 113 | G | A | 0.0000 | |
| 114 | G | A | -1.1297 | |
| 115 | W | A | -0.8826 | |
| 116 | S | A | -1.2602 | |
| 117 | D | A | -2.1136 | |
| 118 | N | A | -2.5901 | |
| 119 | K | A | -2.8071 | |
| 120 | N | A | -2.1296 | |
| 121 | D | A | -1.5740 | |
| 122 | Y | A | -0.8719 | |
| 123 | R | A | -1.6929 | |
| 124 | N | A | 0.0000 | |
| 125 | R | A | -2.7731 | |
| 126 | R | A | -1.5411 | |
| 127 | W | A | -0.9300 | |
| 128 | T | A | 0.0000 | |
| 129 | K | A | 0.0000 | |
| 130 | K | A | -2.8985 | |
| 131 | S | A | -2.2910 | |
| 132 | V | A | 0.0000 | |
| 133 | F | A | -1.6460 | |
| 134 | N | A | -1.9274 | |
| 135 | S | A | -1.2570 | |
| 136 | M | A | -0.5252 | |
| 137 | G | A | -1.0601 | |
| 138 | A | A | -1.3158 | |
| 139 | G | A | -1.5392 | |
| 140 | N | A | -1.9037 | |
| 141 | T | A | -1.4560 | |
| 142 | V | A | 0.0000 | |
| 143 | A | A | -2.0764 | |
| 144 | E | A | -2.0856 | |
| 145 | E | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | Q | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | N | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | Q | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | K | A | -1.0986 | |
| 157 | N | A | 0.0000 | |
| 158 | S | A | -1.7648 | |
| 159 | P | A | -1.7361 | |
| 160 | E | A | -2.4568 | |
| 161 | T | A | 0.0000 | |
| 162 | R | A | -2.0463 | |
| 163 | A | A | -1.5186 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | D | A | -2.3673 | |
| 167 | Q | A | -1.6170 | |
| 168 | Y | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | Q | A | -1.7081 | |
| 171 | Y | A | -0.9257 | |
| 172 | C | A | 0.0000 | |
| 173 | L | A | -0.5065 | |
| 174 | N | A | -0.9694 | |
| 175 | L | A | -1.0841 | |
| 176 | D | A | -2.2350 | |
| 177 | I | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | D | A | -2.1483 | |
| 181 | E | A | -3.0999 | |
| 182 | G | A | -2.9541 | |
| 183 | R | A | -3.0712 | |
| 184 | D | A | -2.3055 | |
| 185 | G | A | -1.0726 | |
| 186 | G | A | -1.1319 | |
| 187 | I | A | -0.6471 | |
| 188 | F | A | 1.0167 | |
| 189 | D | A | -0.0463 | |
| 190 | T | A | 0.0000 | |
| 191 | R | A | -0.5463 | |
| 192 | H | A | 0.0000 | |
| 193 | D | A | 0.0000 | |
| 194 | Q | A | -0.2312 | |
| 195 | S | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | M | A | -0.4502 | |
| 201 | A | A | 0.0000 | |
| 202 | S | A | -0.9920 | |
| 203 | E | A | -2.2650 | |
| 204 | H | A | -1.8418 | |
| 205 | P | A | -1.7019 | |
| 206 | R | A | -2.7446 | |
| 207 | V | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | 0.0000 | |
| 212 | D | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | S | A | 0.0000 | |
| 215 | Q | A | -0.8903 | |
| 216 | W | A | -0.2536 | |
| 217 | G | A | 0.0000 | |
| 218 | K | A | -2.2407 | |
| 219 | Q | A | -2.0083 | |
| 220 | D | A | 0.0000 | |
| 221 | P | A | -0.6894 | |
| 222 | P | A | -0.1687 | |
| 223 | C | A | 0.0068 | |
| 224 | S | A | -0.1010 | |
| 225 | I | A | -0.0057 | |
| 226 | S | A | -0.7163 | |
| 227 | Q | A | -1.1330 | |
| 228 | P | A | -1.1477 | |
| 229 | T | A | -0.7753 | |
| 230 | G | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | I | A | 0.3802 | |
| 234 | E | A | -0.0078 | |
| 235 | L | A | -0.2092 | |
| 236 | D | A | -0.4838 | |
| 237 | A | A | 0.0093 | |
| 238 | L | A | -0.3283 | |
| 239 | D | A | -2.2391 | |
| 240 | E | A | -2.8899 | |
| 241 | N | A | -2.3913 | |
| 242 | G | A | -1.4166 | |
| 243 | V | A | -1.4716 | |
| 244 | M | A | 0.0000 | |
| 245 | H | A | -1.7024 | |
| 246 | N | A | -1.5421 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | N | A | -0.9109 | |
| 250 | H | A | 0.0000 | |
| 251 | H | A | 0.0000 | |
| 252 | R | A | -2.5507 | |
| 253 | R | A | -2.2710 | |
| 254 | M | A | -0.5660 | |
| 255 | M | A | -0.6885 | |
| 256 | K | A | -1.4914 | |
| 257 | I | A | -0.5128 | |
| 258 | P | A | -0.9055 | |
| 259 | K | A | -1.3650 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | P | A | -0.3765 | |
| 266 | T | A | 0.0000 | |
| 267 | T | A | -1.2964 | |
| 268 | G | A | 0.0000 | |
| 269 | G | A | -1.3934 | |
| 270 | K | A | -2.1562 | |
| 271 | F | A | -1.3136 | |
| 272 | L | A | 0.0000 | |
| 273 | D | A | -1.3154 | |
| 274 | A | A | -1.0178 | |
| 275 | C | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | K | A | -1.9949 | |
| 278 | S | A | -0.9945 | |
| 279 | V | A | 0.0000 | |
| 280 | Q | A | 0.0000 | |
| 281 | S | A | -0.9151 | |
| 282 | S | A | 0.0000 | |
| 283 | T | A | -0.9900 | |
| 284 | L | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | N | A | -0.2636 | |
| 287 | I | A | 0.0000 | |
| 288 | E | A | 0.0000 | |
| 289 | H | A | 0.0000 | |
| 290 | W | A | 0.3490 | |
| 291 | I | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | R | A | -3.3224 | |
| 297 | E | A | -3.4920 | |
| 298 | H | A | -2.7488 | |
| 299 | E | A | -2.4408 | |
| 300 | G | A | -2.1076 | |
| 301 | K | A | -2.3554 | |
| 302 | V | A | 0.0000 | |
| 303 | D | A | -1.4814 | |
| 304 | M | A | -0.6212 | |
| 305 | I | A | -1.2614 | |
| 306 | L | A | -1.7208 | |
| 307 | E | A | -2.9617 | |
| 308 | K | A | -3.2412 | |
| 309 | Y | A | 0.0000 | |
| 310 | R | A | -3.4493 | |
| 311 | H | A | -2.3836 | |
| 312 | K | A | -1.9844 | |
| 313 | H | A | -0.8315 | |
| 314 | P | A | -0.4310 | |
| 315 | V | A | 0.0472 | |
| 316 | I | A | 0.5672 | |
| 317 | K | A | -0.0457 | |
| 318 | L | A | 0.4584 | |
| 319 | V | A | -0.4969 | |
| 320 | L | A | -0.7783 | |
| 321 | P | A | -1.3966 | |
| 322 | N | A | -2.0396 | |
| 323 | N | A | -1.4582 | |
| 324 | I | A | -0.4575 | |
| 325 | G | A | -1.0174 | |
| 326 | S | A | -0.8761 | |
| 327 | G | A | -0.7337 | |
| 328 | G | A | -0.9311 | |
| 329 | W | A | -1.1279 | |
| 330 | N | A | -1.4182 | |
| 331 | G | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | R | A | -1.3410 | |
| 334 | V | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | G | A | -0.5338 | |
| 337 | S | A | 0.0980 | |
| 338 | I | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | W | A | 1.6194 | |
| 341 | I | A | 2.2865 | |
| 342 | I | A | 0.0000 | |
| 343 | N | A | -1.0551 | |
| 344 | A | A | -1.5484 | |
| 345 | D | A | -2.1708 | |
| 346 | Y | A | -1.3871 | |
| 347 | I | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | D | A | -0.6677 | |
| 352 | D | A | -0.8539 | |
| 353 | D | A | -0.9205 | |
| 354 | N | A | 0.0000 | |
| 355 | I | A | -0.3004 | |
| 356 | V | A | 0.0000 | |
| 357 | E | A | -1.2511 | |
| 358 | P | A | -1.4244 | |
| 359 | K | A | -2.4686 | |
| 360 | H | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | K | A | -2.0808 | |
| 363 | D | A | -2.0023 | |
| 364 | L | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | -0.1289 | |
| 367 | S | A | 0.0150 | |
| 368 | I | A | 0.0000 | |
| 369 | I | A | 1.4246 | |
| 370 | S | A | 0.4844 | |
| 371 | T | A | -0.1395 | |
| 372 | P | A | -0.7441 | |
| 373 | N | A | -1.2849 | |
| 374 | A | A | -0.6708 | |
| 375 | K | A | -1.0697 | |
| 376 | W | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | Y | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | R | A | 0.0000 | |
| 382 | K | A | 0.3360 | |
| 383 | L | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.4346 | |
| 386 | N | A | -2.4642 | |
| 387 | N | A | -2.2791 | |
| 388 | G | A | -1.3864 | |
| 389 | N | A | -1.1750 | |
| 390 | L | A | 0.8565 | |
| 391 | I | A | 1.1497 | |
| 392 | G | A | 0.9728 | |
| 393 | Y | A | 0.9794 | |
| 394 | D | A | 0.0000 | |
| 395 | N | A | 0.0000 | |
| 396 | C | A | 0.0000 | |
| 397 | E | A | -0.1201 | |
| 398 | S | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | G | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | S | A | 0.0000 | |
| 404 | H | A | -0.7774 | |
| 405 | T | A | 0.0000 | |
| 406 | V | A | 0.1206 | |
| 407 | A | A | -0.3103 | |
| 408 | G | A | -0.9533 | |
| 409 | R | A | -1.8308 | |
| 410 | G | A | -1.3673 | |
| 411 | D | A | -1.2748 | |
| 412 | Y | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | D | A | -0.3619 | |
| 416 | T | A | -0.3015 | |
| 417 | S | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | M | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | D | A | -1.5000 | |
| 423 | R | A | -1.7730 | |
| 424 | D | A | -2.0552 | |
| 425 | L | A | -1.0508 | |
| 426 | A | A | 0.0000 | |
| 427 | I | A | -0.1565 | |
| 428 | S | A | -0.4931 | |
| 429 | A | A | 0.0000 | |
| 430 | S | A | 0.0000 | |
| 431 | P | A | -0.8959 | |
| 432 | A | A | -1.1785 | |
| 433 | W | A | 0.0000 | |
| 434 | N | A | -1.9439 | |
| 435 | A | A | 0.0000 | |
| 436 | R | A | -1.7979 | |
| 437 | F | A | -0.8702 | |
| 438 | R | A | -2.3021 | |
| 439 | D | A | 0.0000 | |
| 440 | P | A | -1.9103 | |
| 441 | D | A | -2.7995 | |
| 442 | G | A | -2.4969 | |
| 443 | K | A | -2.7418 | |
| 444 | P | A | -2.0791 | |
| 445 | E | A | -1.9030 | |
| 446 | P | A | 0.0000 | |
| 447 | D | A | -1.0688 | |
| 448 | R | A | -1.4970 | |
| 449 | E | A | -1.9985 | |
| 450 | L | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | K | A | -1.5115 | |
| 453 | C | A | -0.5841 | |
| 454 | L | A | 0.0000 | |
| 455 | L | A | -0.2611 | |
| 456 | S | A | -0.3545 | |
| 457 | A | A | -0.1429 | |
| 458 | A | A | -0.3028 | |
| 459 | P | A | -0.7431 | |
| 460 | Y | A | -0.1774 | |
| 461 | G | A | 0.0000 | |
| 462 | V | A | -0.1247 | |
| 463 | V | A | 0.0000 | |
| 464 | R | A | -1.7441 | |
| 465 | K | A | -1.8262 | |
| 466 | H | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | N | A | -0.0801 | |
| 470 | Y | A | 0.1351 | |
| 471 | R | A | 0.0000 | |
| 472 | I | A | -0.2855 | |
| 473 | G | A | -0.6063 | |
| 474 | S | A | -0.6289 | |
| 475 | T | A | 0.0517 | |
| 476 | G | A | 0.1472 | |
| 477 | L | A | 1.2656 | |
| 478 | S | A | 0.5042 | |
| 479 | V | A | 0.4182 | |
| 480 | S | A | -0.0200 | |
| 481 | N | A | -0.4070 | |
| 482 | N | A | -0.7718 | |
| 483 | F | A | 0.2779 | |
| 484 | F | A | 0.0000 | |
| 485 | V | A | 0.9556 | |
| 486 | Q | A | -0.2794 | |
| 487 | G | A | 0.0000 | |
| 488 | N | A | 0.2480 | |
| 489 | S | A | 0.2634 | |
| 490 | I | A | 0.7053 | |
| 491 | F | A | 0.1791 | |
| 492 | G | A | -0.1858 | |
| 493 | Y | A | 0.0000 | |
| 494 | D | A | -1.7752 | |
| 495 | F | A | 0.0000 | |
| 496 | E | A | -2.6583 | |
| 497 | K | A | -2.9772 | |
| 498 | Y | A | -2.4489 | |
| 499 | E | A | -2.6972 | |
| 500 | D | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | Y | A | 0.0000 | |
| 503 | V | A | 0.0000 | |
| 504 | F | A | 0.0000 | |
| 505 | H | A | 0.0000 | |
| 506 | F | A | 0.0000 | |
| 507 | S | A | -2.1166 | |
| 508 | E | A | -2.9990 | |
| 509 | K | A | -2.7766 | |
| 510 | A | A | 0.0000 | |
| 511 | T | A | 0.0000 | |
| 512 | A | A | -1.5104 | |
| 513 | D | A | -1.5664 | |
| 514 | F | A | 0.0000 | |
| 515 | M | A | -0.8306 | |
| 516 | N | A | -1.4229 | |
| 517 | A | A | 0.0000 | |
| 518 | R | A | 0.0000 | |
| 519 | R | A | -1.7847 | |
| 520 | Q | A | -2.4639 | |
| 521 | Y | A | 0.0000 | |
| 522 | K | A | -3.0871 | |
| 523 | N | A | -2.9163 | |
| 524 | R | A | -2.3153 | |
| 525 | S | A | -1.3236 | |
| 526 | Y | A | -0.7612 | |
| 527 | A | A | 0.0000 | |
| 528 | L | A | -0.6179 | |
| 529 | E | A | -1.3725 | |
| 530 | E | A | -2.0261 | |
| 531 | W | A | -0.7869 | |
| 532 | Q | A | -0.5672 | |
| 533 | M | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | K | A | 0.0000 | |
| 538 | G | A | -0.9599 | |
| 539 | L | A | 0.0000 | |
| 540 | D | A | 0.0000 | |
| 541 | G | A | 0.0000 | |
| 542 | M | A | -0.4557 | |
| 543 | N | A | -0.9609 | |
| 544 | G | A | -0.8687 | |
| 545 | G | A | -1.1427 | |
| 546 | K | A | -2.5386 | |
| 547 | Y | A | -1.6883 | |
| 548 | N | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | N | A | -0.4693 | |
| 552 | G | A | 0.0000 | |
| 553 | F | A | 0.0000 | |
| 554 | T | A | -0.9357 | |
| 555 | N | A | 0.0000 | |
| 556 | F | A | -0.2347 | |
| 557 | P | A | -0.3668 | |
| 558 | N | A | -0.8936 | |
| 559 | I | A | 0.0000 | |
| 560 | P | A | -1.0316 | |
| 561 | N | A | -1.8749 | |
| 562 | K | A | -1.9362 | |
| 563 | A | A | -1.2932 | |
| 564 | T | A | 0.0000 | |
| 565 | I | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | S | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | C | A | -0.6853 | |
| 571 | N | A | -1.5595 | |
| 572 | P | A | -1.1683 | |
| 573 | G | A | -1.4162 | |
| 574 | D | A | -2.4344 | |
| 575 | L | A | 0.0000 | |
| 576 | P | A | -1.1649 | |
| 577 | M | A | -1.6095 | |
| 578 | D | A | -2.6541 | |
| 579 | F | A | 0.0000 | |
| 580 | F | A | 0.0000 | |
| 581 | K | A | -2.1979 | |
| 582 | E | A | -2.4697 | |
| 583 | R | A | -1.3363 | |
| 584 | V | A | 0.1742 | |
| 585 | D | A | -0.7733 | |
| 586 | L | A | 0.0000 | |
| 587 | Q | A | -0.8755 | |
| 588 | R | A | 0.0000 | |
| 589 | I | A | 0.0000 | |
| 590 | V | A | 0.0000 | |
| 591 | Y | A | 0.0000 | |
| 592 | T | A | 0.0000 | |
| 593 | L | A | 0.0000 | |
| 594 | E | A | -0.8427 | |
| 595 | S | A | 0.0000 | |
| 596 | P | A | 0.0000 | |
| 597 | N | A | 0.0000 | |
| 598 | I | A | -1.3005 | |
| 599 | R | A | -2.0019 | |
| 600 | H | A | -1.6280 | |
| 601 | Q | A | -1.4206 | |
| 602 | G | A | -1.2780 | |
| 603 | Q | A | -1.0289 | |
| 604 | W | A | 0.0000 | |
| 605 | N | A | -1.1281 | |
| 606 | F | A | -1.0669 | |
| 607 | N | A | -1.5129 | |
| 608 | W | A | -0.9661 | |
| 609 | L | A | 0.0000 | |
| 610 | T | A | -1.0870 | |
| 611 | Q | A | -1.5669 | |
| 612 | H | A | -1.3017 | |
| 613 | F | A | 0.0000 | |
| 614 | D | A | -0.4097 | |
| 615 | V | A | 0.0000 | |
| 616 | A | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | T | A | 0.0000 | |
| 619 | Y | A | 0.0000 | |
| 620 | F | A | 0.0000 | |
| 621 | K | A | -1.6307 | |
| 622 | P | A | -1.2312 | |
| 623 | I | A | 0.0000 | |
| 624 | I | A | -1.1238 | |
| 625 | E | A | -2.5027 | |
| 626 | N | A | -2.0452 | |
| 627 | K | A | -2.3809 | |
| 628 | S | A | -1.5678 | |
| 629 | I | A | 0.0000 | |
| 630 | H | A | -1.0393 | |
| 631 | T | A | -0.7102 | |
| 632 | I | A | 0.0646 | |
| 633 | F | A | 0.2573 | |
| 634 | T | A | 0.0000 | |
| 635 | P | A | 0.0000 | |
| 636 | H | A | 0.0000 | |
| 637 | N | A | 0.0000 | |
| 638 | T | A | -0.4625 | |
| 639 | H | A | -0.4304 | |
| 640 | H | A | 0.0000 | |
| 641 | G | A | 0.0000 | |
| 642 | D | A | -1.1687 | |
| 643 | L | A | -1.5355 | |
| 644 | D | A | -2.1645 | |
| 645 | D | A | -1.6824 | |
| 646 | P | A | -1.3214 | |
| 647 | H | A | -1.5506 | |
| 648 | D | A | 0.0000 | |
| 649 | A | A | -0.7563 | |
| 650 | T | A | -0.1718 | |
| 651 | A | A | -0.3018 | |
| 652 | L | A | 0.0000 | |
| 653 | L | A | 0.4773 | |
| 654 | R | A | 0.2079 | |
| 655 | V | A | 0.9765 | |
| 656 | N | A | -0.3009 | |
| 657 | K | A | -1.4814 | |
| 658 | G | A | 0.0000 | |
| 659 | V | A | 0.7311 | |
| 660 | G | A | -0.5713 | |
| 661 | K | A | -1.5099 | |
| 662 | S | A | -0.8644 | |
| 663 | A | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | M | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | E | A | -0.7816 | |
| 669 | R | A | 0.0000 | |
| 670 | R | A | -0.7043 | |
| 671 | P | A | -0.8392 | |
| 672 | H | A | -1.1504 | |
| 673 | L | A | -0.9150 | |
| 674 | F | A | -0.7421 | |
| 675 | H | A | -1.5671 | |
| 676 | T | A | -1.6332 | |
| 677 | R | A | -2.4128 | |
| 678 | D | A | -2.9620 | |
| 679 | Y | A | 0.0000 | |
| 680 | A | A | -1.0117 | |
| 681 | I | A | 0.0000 | |
| 682 | N | A | -1.0631 | |
| 683 | G | A | -0.7490 | |
| 684 | V | A | -0.4327 | |
| 685 | H | A | -1.5683 | |
| 686 | L | A | 0.0000 | |
| 687 | R | A | -2.2701 | |
| 688 | C | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | D | A | 0.0000 | |
| 691 | Y | A | -0.5679 | |
| 692 | L | A | 0.0000 | |
| 693 | R | A | 0.0000 | |
| 694 | E | A | -1.1177 | |
| 695 | D | A | -1.8411 | |
| 696 | L | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | R | A | -2.7989 | |
| 699 | G | A | -3.0941 | |
| 700 | L | A | 0.0000 | |
| 701 | E | A | -3.9556 | |
| 702 | D | A | -3.8542 | |
| 703 | V | A | 0.0000 | |
| 704 | T | A | -1.2090 | |
| 705 | V | A | 0.0000 | |
| 706 | F | A | 0.0000 | |
| 707 | G | A | 0.0000 | |
| 708 | I | A | -1.0281 | |
| 709 | N | A | -1.3928 | |
| 710 | W | A | 0.0000 | |
| 711 | G | A | -1.6134 | |
| 712 | E | A | -2.1539 | |
| 713 | V | A | -1.5498 | |
| 714 | A | A | -2.1021 | |
| 715 | D | A | -2.6954 | |
| 716 | G | A | -2.6170 | |
| 717 | K | A | -3.6985 | |
| 718 | K | A | -4.2642 | |
| 719 | I | A | 0.0000 | |
| 720 | K | A | -2.2960 | |
| 721 | L | A | -0.8025 | |
| 722 | G | A | -0.5562 | |
| 723 | H | A | -0.7820 | |
| 724 | A | A | -1.3050 | |
| 725 | K | A | -2.5061 | |
| 726 | H | A | -1.9379 | |
| 727 | R | A | -2.1721 | |
| 728 | S | A | -2.1350 | |
| 729 | Q | A | -2.6564 | |
| 730 | D | A | -2.7195 | |
| 731 | E | A | -2.9692 | |
| 732 | N | A | -2.2183 | |
| 733 | S | A | -1.4730 | |
| 734 | S | A | -0.7150 | |
| 735 | V | A | 0.0000 | |
| 736 | D | A | -1.3304 | |
| 737 | L | A | 0.0000 | |
| 738 | K | A | 0.0000 | |
| 739 | S | A | -1.0626 | |
| 740 | K | A | -1.4491 | |
| 741 | F | A | 0.0000 | |
| 742 | V | A | 0.0000 | |
| 743 | F | A | 0.0000 | |
| 744 | D | A | 0.0000 | |
| 745 | I | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | V | A | 0.0000 | |
| 748 | E | A | 0.0000 | |
| 749 | N | A | -0.4615 | |
| 750 | C | A | 0.0000 | |
| 751 | D | A | -1.2380 | |
| 752 | A | A | 0.0000 | |
| 753 | E | A | -1.5106 | |
| 754 | G | A | -1.2052 | |
| 755 | Y | A | 0.0000 | |
| 756 | V | A | 0.0000 | |
| 757 | S | A | 0.0000 | |
| 758 | E | A | -0.3165 | |
| 759 | K | A | 0.0000 | |
| 760 | L | A | 0.0000 | |
| 761 | F | A | 0.0000 | |
| 762 | D | A | 0.0000 | |
| 763 | S | A | 0.0000 | |
| 764 | L | A | 0.0000 | |
| 765 | S | A | 0.0000 | |
| 766 | A | A | 0.0000 | |
| 767 | G | A | 0.0000 | |
| 768 | C | A | 0.0000 | |
| 769 | V | A | 0.0000 | |
| 770 | P | A | 0.0000 | |
| 771 | L | A | 0.0000 | |
| 772 | Y | A | 0.0000 | |
| 773 | Y | A | 0.0000 | |
| 774 | G | A | 0.0000 | |
| 775 | N | A | 0.0000 | |
| 776 | M | A | -1.1365 | |
| 777 | Y | A | -1.6643 | |
| 778 | D | A | -3.0764 | |
| 779 | E | A | -3.1435 | |
| 780 | L | A | 0.0000 | |
| 781 | G | A | -2.1280 | |
| 782 | D | A | -2.8649 | |
| 783 | L | A | -1.5917 | |
| 784 | I | A | 0.0000 | |
| 785 | P | A | -0.8340 | |
| 786 | E | A | -1.1263 | |
| 787 | G | A | -0.6196 | |
| 788 | D | A | -1.2610 | |
| 789 | V | A | 0.0000 | |
| 790 | Y | A | 0.0000 | |
| 791 | F | A | 0.0000 | |
| 792 | D | A | -1.4469 | |
| 793 | L | A | 0.0000 | |
| 794 | K | A | -2.3519 | |
| 795 | K | A | -2.9308 | |
| 796 | R | A | -2.5878 | |
| 797 | N | A | -2.5586 | |
| 798 | I | A | 0.0000 | |
| 799 | T | A | -1.2044 | |
| 800 | T | A | -1.7250 | |
| 801 | G | A | 0.0000 | |
| 802 | K | A | -3.2903 | |
| 803 | Q | A | -2.5278 | |
| 804 | L | A | 0.0000 | |
| 805 | Q | A | -3.0556 | |
| 806 | E | A | -3.1062 | |
| 807 | L | A | -1.7909 | |
| 808 | L | A | 0.0000 | |
| 809 | D | A | -2.6034 | |
| 810 | T | A | -1.6287 | |
| 811 | L | A | 0.0000 | |
| 812 | S | A | -2.5908 | |
| 813 | D | A | -3.6824 | |
| 814 | E | A | -3.7808 | |
| 815 | R | A | -3.2430 | |
| 816 | V | A | 0.0000 | |
| 817 | E | A | -3.8469 | |
| 818 | G | A | -2.9038 | |
| 819 | M | A | 0.0000 | |
| 820 | R | A | -2.2468 | |
| 821 | K | A | -2.6516 | |
| 822 | N | A | -1.7870 | |
| 823 | V | A | 0.0000 | |
| 824 | I | A | -0.3820 | |
| 825 | D | A | -2.0171 | |
| 826 | Y | A | -0.9899 | |
| 827 | R | A | 0.0000 | |
| 828 | E | A | -1.8831 | |
| 829 | K | A | -2.3628 | |
| 830 | V | A | 0.0000 | |
| 831 | L | A | 0.0000 | |
| 832 | R | A | -1.8448 | |
| 833 | F | A | -0.9574 | |
| 834 | A | A | 0.0000 | |
| 835 | G | A | 0.0000 | |
| 836 | T | A | 0.0000 | |
| 837 | K | A | -1.4593 | |
| 838 | M | A | -1.1175 | |
| 839 | F | A | 0.0000 | |
| 840 | A | A | 0.0000 | |
| 841 | K | A | -2.7778 | |
| 842 | K | A | -2.0190 | |
| 843 | V | A | 0.0000 | |
| 844 | E | A | -2.9822 | |
| 845 | E | A | -3.1576 | |
| 846 | A | A | 0.0000 | |
| 847 | I | A | 0.0000 | |
| 848 | E | A | -2.8190 | |
| 849 | L | A | -1.5251 | |
| 850 | S | A | 0.0000 | |
| 851 | K | A | -2.5109 | |
| 852 | T | A | -1.6340 | |
| 853 | T | A | -1.4666 | |
| 854 | K | A | -1.4319 | |
| 855 | K | A | -2.1885 | |
| 856 | N | A | -1.1335 | |
| 857 | V | A | 0.7173 | |
| 858 | E | A | -0.6993 | |
| 859 | L | A | 1.2458 | |
| 860 | V | A | 2.0349 |
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 | -0.6689 | 4.2687 | View | CSV | PDB |
| 4.5 | -0.7283 | 4.2234 | View | CSV | PDB |
| 5.0 | -0.8 | 4.2234 | View | CSV | PDB |
| 5.5 | -0.871 | 4.2234 | View | CSV | PDB |
| 6.0 | -0.9271 | 4.2234 | View | CSV | PDB |
| 6.5 | -0.9583 | 4.2234 | View | CSV | PDB |
| 7.0 | -0.9639 | 4.2234 | View | CSV | PDB |
| 7.5 | -0.9514 | 4.2234 | View | CSV | PDB |
| 8.0 | -0.928 | 4.2234 | View | CSV | PDB |
| 8.5 | -0.8961 | 4.2234 | View | CSV | PDB |
| 9.0 | -0.8554 | 4.2234 | 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