| Chain sequence(s) |
A: MEPNIYQLALAALFGASFVAVSGFFMHFKALNLVLERGKERKENPDGDEPQNPTLVRRRSQVRRKVNDQYGRSPASLPDATPFTDGGGGGGGDTGRSNGHVYVDEIPPGLPRLHTPSEGRASVHGASSIRKTGSFVRPISPKSPVASASAFESVEESDDDDNLTNSEGLDASYLQANGDNEMPADANEEQISMAASSMIRSHSVSGDLHGVQPDPIAADILRKEPEQETFVRLNVPLEVPTSDEVEAYKCLQECLELRKRYVFQETVAPWEKEVISDPSTPKPNTEPFAHYPQGKSDHCFEMQDGVVHVFANKDAKEDLFPVADATAFFTDLHHVLKVIAAGNIRTLCHRRLVLLEQKFNLHLMLNADKEFLAQKSAPHRDFYNVRKVDTHVHHSACMNQKHLLRFIKSKLRKEPDEVVIFRDGTYLTLREVFESLDLTGYDLNVDLLDVHADKSTFHRFDKFNLKYNPCGQSRLREIFLKQDNLIQGRFLGEITKQVFSDLEASKYQMAEYRISIYGRKMSEWDQLASWIVNNDLYSENVVWLIQLPRLYNIYKDMGIVTSFQNILDNIFIPLFEATVDPDSHPQLHVFLKQVVGFDLVDDESKPERRPTKHMPTPAQWTNAFNPAFSYYVYYCYANLYVLNKLRESKGMTTITLRPHSGEAGDIDHLAATFLTCHSIAHGINLRKSPVLQYLYYLAQIGLAMSPLSNNSLFLDYHRNPFPVFFLRGLNVSLSTDDPLQIHLTKEPLVEEYSIAASVWKLSACDLCEIARNSVYQSGFSHALKSHWIGKDYYKRGPDGNDIHKTNVPHIRVEFRDTIWKEEMQQVYLGKAVISDEVVP
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/146919a923c7bd1/tmp/folded.pdb (00:11:01)
[INFO] Main: Simulation completed successfully. (00:15:00)
|
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 | 0.3222 | |
| 2 | E | A | -1.3563 | |
| 3 | P | A | -0.7347 | |
| 4 | N | A | -0.5841 | |
| 5 | I | A | 1.4400 | |
| 6 | Y | A | 1.5750 | |
| 7 | Q | A | 0.5195 | |
| 8 | L | A | 2.2365 | |
| 9 | A | A | 2.1762 | |
| 10 | L | A | 2.4210 | |
| 11 | A | A | 1.9741 | |
| 12 | A | A | 2.0492 | |
| 13 | L | A | 2.8537 | |
| 14 | F | A | 3.1220 | |
| 15 | G | A | 2.1786 | |
| 16 | A | A | 2.3374 | |
| 17 | S | A | 2.5806 | |
| 18 | F | A | 3.8544 | |
| 19 | V | A | 3.6228 | |
| 20 | A | A | 3.0372 | |
| 21 | V | A | 3.6645 | |
| 22 | S | A | 3.1412 | |
| 23 | G | A | 2.6963 | |
| 24 | F | A | 3.9551 | |
| 25 | F | A | 3.8241 | |
| 26 | M | A | 2.3351 | |
| 27 | H | A | 1.5869 | |
| 28 | F | A | 2.7038 | |
| 29 | K | A | 0.7967 | |
| 30 | A | A | 1.4524 | |
| 31 | L | A | 1.8363 | |
| 32 | N | A | 0.5161 | |
| 33 | L | A | 0.7183 | |
| 34 | V | A | 1.4452 | |
| 35 | L | A | -0.2738 | |
| 36 | E | A | -2.7909 | |
| 37 | R | A | -3.1625 | |
| 38 | G | A | -3.1007 | |
| 39 | K | A | -5.0545 | |
| 40 | E | A | -5.6219 | |
| 41 | R | A | -5.4342 | |
| 42 | K | A | -5.4625 | |
| 43 | E | A | -4.9612 | |
| 44 | N | A | -4.0944 | |
| 45 | P | A | -2.8231 | |
| 46 | D | A | -3.0859 | |
| 47 | G | A | -3.0897 | |
| 48 | D | A | -3.5762 | |
| 49 | E | A | -3.1488 | |
| 50 | P | A | -2.5202 | |
| 51 | Q | A | -2.5887 | |
| 52 | N | A | -1.9109 | |
| 53 | P | A | -1.0142 | |
| 54 | T | A | 0.6508 | |
| 55 | L | A | 1.8238 | |
| 56 | V | A | 1.2187 | |
| 57 | R | A | -2.0932 | |
| 58 | R | A | -3.4228 | |
| 59 | R | A | -3.4904 | |
| 60 | S | A | -1.8919 | |
| 61 | Q | A | -1.1641 | |
| 62 | V | A | -0.1342 | |
| 63 | R | A | -2.6133 | |
| 64 | R | A | -2.9547 | |
| 65 | K | A | -2.2648 | |
| 66 | V | A | -0.4542 | |
| 67 | N | A | -1.8993 | |
| 68 | D | A | -2.4358 | |
| 69 | Q | A | -1.8080 | |
| 70 | Y | A | -0.2329 | |
| 71 | G | A | -1.0120 | |
| 72 | R | A | -1.9627 | |
| 73 | S | A | -1.3345 | |
| 74 | P | A | -0.7606 | |
| 75 | A | A | 0.0742 | |
| 76 | S | A | 0.2353 | |
| 77 | L | A | 0.9416 | |
| 78 | P | A | -0.4096 | |
| 79 | D | A | -1.6033 | |
| 80 | A | A | -0.8136 | |
| 81 | T | A | -0.1724 | |
| 82 | P | A | 0.4649 | |
| 83 | F | A | 1.3270 | |
| 84 | T | A | -0.2066 | |
| 85 | D | A | -1.6742 | |
| 86 | G | A | -1.6806 | |
| 87 | G | A | -1.4272 | |
| 88 | G | A | -1.1533 | |
| 89 | G | A | -1.1584 | |
| 90 | G | A | -1.1106 | |
| 91 | G | A | -1.4030 | |
| 92 | G | A | -1.6868 | |
| 93 | D | A | -2.2507 | |
| 94 | T | A | -1.6608 | |
| 95 | G | A | -1.8061 | |
| 96 | R | A | -2.5130 | |
| 97 | S | A | -1.9471 | |
| 98 | N | A | -2.0251 | |
| 99 | G | A | -1.2033 | |
| 100 | H | A | -0.0735 | |
| 101 | V | A | 1.9039 | |
| 102 | Y | A | 1.9589 | |
| 103 | V | A | 1.6527 | |
| 104 | D | A | -0.7713 | |
| 105 | E | A | -1.1779 | |
| 106 | I | A | 0.6811 | |
| 107 | P | A | -0.0503 | |
| 108 | P | A | -0.0006 | |
| 109 | G | A | 0.0643 | |
| 110 | L | A | 0.8838 | |
| 111 | P | A | -0.2745 | |
| 112 | R | A | -1.1782 | |
| 113 | L | A | 0.2645 | |
| 114 | H | A | -0.9062 | |
| 115 | T | A | -0.7900 | |
| 116 | P | A | -0.9804 | |
| 117 | S | A | -1.4880 | |
| 118 | E | A | -2.6454 | |
| 119 | G | A | -2.3039 | |
| 120 | R | A | -2.5144 | |
| 121 | A | A | -0.8377 | |
| 122 | S | A | 0.2214 | |
| 123 | V | A | 1.0992 | |
| 124 | H | A | -0.4594 | |
| 125 | G | A | -0.6756 | |
| 126 | A | A | -0.5466 | |
| 127 | S | A | 0.0298 | |
| 128 | S | A | 0.3380 | |
| 129 | I | A | 0.6679 | |
| 130 | R | A | -1.8423 | |
| 131 | K | A | -2.4062 | |
| 132 | T | A | -1.6713 | |
| 133 | G | A | -0.5753 | |
| 134 | S | A | 0.8926 | |
| 135 | F | A | 2.2563 | |
| 136 | V | A | 1.7425 | |
| 137 | R | A | -0.2954 | |
| 138 | P | A | 0.0875 | |
| 139 | I | A | 1.2775 | |
| 140 | S | A | 0.1440 | |
| 141 | P | A | -0.8003 | |
| 142 | K | A | -2.0332 | |
| 143 | S | A | -0.9079 | |
| 144 | P | A | 0.1281 | |
| 145 | V | A | 1.5956 | |
| 146 | A | A | 0.7621 | |
| 147 | S | A | 0.1651 | |
| 148 | A | A | -0.1225 | |
| 149 | S | A | 0.2135 | |
| 150 | A | A | 0.4527 | |
| 151 | F | A | 1.1829 | |
| 152 | E | A | -0.7941 | |
| 153 | S | A | -0.4780 | |
| 154 | V | A | 0.1144 | |
| 155 | E | A | -2.3670 | |
| 156 | E | A | -3.0312 | |
| 157 | S | A | -2.9359 | |
| 158 | D | A | -4.0671 | |
| 159 | D | A | -4.1971 | |
| 160 | D | A | -4.1338 | |
| 161 | D | A | -3.5457 | |
| 162 | N | A | -1.8639 | |
| 163 | L | A | -0.0166 | |
| 164 | T | A | -0.2705 | |
| 165 | N | A | -1.5993 | |
| 166 | S | A | -1.6940 | |
| 167 | E | A | -2.1715 | |
| 168 | G | A | -1.1303 | |
| 169 | L | A | 0.0700 | |
| 170 | D | A | -1.1181 | |
| 171 | A | A | -0.4044 | |
| 172 | S | A | 0.3957 | |
| 173 | Y | A | 1.8209 | |
| 174 | L | A | 1.6563 | |
| 175 | Q | A | -0.4267 | |
| 176 | A | A | -0.9536 | |
| 177 | N | A | -2.0996 | |
| 178 | G | A | -2.1629 | |
| 179 | D | A | -3.2733 | |
| 180 | N | A | -3.0131 | |
| 181 | E | A | -2.4769 | |
| 182 | M | A | -0.2049 | |
| 183 | P | A | -0.4003 | |
| 184 | A | A | -0.8185 | |
| 185 | D | A | -2.0252 | |
| 186 | A | A | -1.7464 | |
| 187 | N | A | -2.8675 | |
| 188 | E | A | -3.6925 | |
| 189 | E | A | -3.2780 | |
| 190 | Q | A | -1.5310 | |
| 191 | I | A | 1.1970 | |
| 192 | S | A | 1.0474 | |
| 193 | M | A | 1.4268 | |
| 194 | A | A | 0.4865 | |
| 195 | A | A | 0.1524 | |
| 196 | S | A | -0.0698 | |
| 197 | S | A | 0.4012 | |
| 198 | M | A | 1.5023 | |
| 199 | I | A | 1.4267 | |
| 200 | R | A | -1.0566 | |
| 201 | S | A | -0.9779 | |
| 202 | H | A | -1.0457 | |
| 203 | S | A | -0.2635 | |
| 204 | V | A | 0.9970 | |
| 205 | S | A | -0.0264 | |
| 206 | G | A | -0.6751 | |
| 207 | D | A | -1.3785 | |
| 208 | L | A | -0.0804 | |
| 209 | H | A | -0.6292 | |
| 210 | G | A | -0.2420 | |
| 211 | V | A | 0.5161 | |
| 212 | Q | A | -1.1565 | |
| 213 | P | A | -1.0847 | |
| 214 | D | A | -1.7978 | |
| 215 | P | A | -0.5983 | |
| 216 | I | A | 1.1922 | |
| 217 | A | A | 0.5358 | |
| 218 | A | A | -0.3410 | |
| 219 | D | A | -1.5170 | |
| 220 | I | A | -0.1525 | |
| 221 | L | A | -0.2364 | |
| 222 | R | A | -2.9687 | |
| 223 | K | A | -3.6641 | |
| 224 | E | A | -3.6148 | |
| 225 | P | A | -3.1806 | |
| 226 | E | A | -3.4923 | |
| 227 | Q | A | -2.6186 | |
| 228 | E | A | -1.6658 | |
| 229 | T | A | -0.9874 | |
| 230 | F | A | -0.0617 | |
| 231 | V | A | 0.4161 | |
| 232 | R | A | -1.2719 | |
| 233 | L | A | -0.5034 | |
| 234 | N | A | -1.0148 | |
| 235 | V | A | 0.0372 | |
| 236 | P | A | 0.1272 | |
| 237 | L | A | 0.4428 | |
| 238 | E | A | 0.0761 | |
| 239 | V | A | 1.3880 | |
| 240 | P | A | 0.1115 | |
| 241 | T | A | -0.7192 | |
| 242 | S | A | -1.2892 | |
| 243 | D | A | -2.6505 | |
| 244 | E | A | -1.6793 | |
| 245 | V | A | -1.1600 | |
| 246 | E | A | -2.8284 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | K | A | -1.9991 | |
| 250 | C | A | -1.5631 | |
| 251 | L | A | 0.0000 | |
| 252 | Q | A | -1.5766 | |
| 253 | E | A | -2.2921 | |
| 254 | C | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | E | A | -2.5201 | |
| 257 | L | A | -1.9237 | |
| 258 | R | A | 0.0000 | |
| 259 | K | A | -3.0310 | |
| 260 | R | A | -2.8374 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | -0.8671 | |
| 263 | F | A | -0.7322 | |
| 264 | Q | A | -0.8735 | |
| 265 | E | A | -0.6219 | |
| 266 | T | A | -0.1444 | |
| 267 | V | A | -0.2019 | |
| 268 | A | A | -0.6654 | |
| 269 | P | A | -1.1534 | |
| 270 | W | A | 0.0000 | |
| 271 | E | A | -2.2540 | |
| 272 | K | A | -2.4766 | |
| 273 | E | A | -1.5886 | |
| 274 | V | A | 0.2328 | |
| 275 | I | A | -0.5130 | |
| 276 | S | A | -0.8005 | |
| 277 | D | A | -1.8819 | |
| 278 | P | A | -1.3408 | |
| 279 | S | A | -1.2240 | |
| 280 | T | A | -0.9468 | |
| 281 | P | A | -1.5030 | |
| 282 | K | A | -2.2872 | |
| 283 | P | A | -2.0988 | |
| 284 | N | A | -2.4705 | |
| 285 | T | A | -1.8447 | |
| 286 | E | A | -2.2031 | |
| 287 | P | A | -1.6902 | |
| 288 | F | A | -1.0631 | |
| 289 | A | A | -0.4923 | |
| 290 | H | A | -0.2500 | |
| 291 | Y | A | 0.7401 | |
| 292 | P | A | -0.5704 | |
| 293 | Q | A | -1.2884 | |
| 294 | G | A | -1.8912 | |
| 295 | K | A | -2.8770 | |
| 296 | S | A | -2.1408 | |
| 297 | D | A | -2.8211 | |
| 298 | H | A | -1.6710 | |
| 299 | C | A | -1.5739 | |
| 300 | F | A | -0.9403 | |
| 301 | E | A | -1.5759 | |
| 302 | M | A | -1.3411 | |
| 303 | Q | A | -1.9482 | |
| 304 | D | A | -2.6753 | |
| 305 | G | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | H | A | -0.9692 | |
| 309 | V | A | 0.0000 | |
| 310 | F | A | -1.8543 | |
| 311 | A | A | -1.7922 | |
| 312 | N | A | -3.1020 | |
| 313 | K | A | -3.4153 | |
| 314 | D | A | -3.4172 | |
| 315 | A | A | -2.9152 | |
| 316 | K | A | -3.3578 | |
| 317 | E | A | -2.9304 | |
| 318 | D | A | -1.3140 | |
| 319 | L | A | -0.1082 | |
| 320 | F | A | 0.1462 | |
| 321 | P | A | -0.4329 | |
| 322 | V | A | -0.1805 | |
| 323 | A | A | -1.0004 | |
| 324 | D | A | -1.9412 | |
| 325 | A | A | -1.3512 | |
| 326 | T | A | -1.1594 | |
| 327 | A | A | -0.9614 | |
| 328 | F | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | T | A | -0.7487 | |
| 331 | D | A | -0.8409 | |
| 332 | L | A | 0.0000 | |
| 333 | H | A | -1.0888 | |
| 334 | H | A | -1.1237 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | -0.8145 | |
| 337 | K | A | -1.7624 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | A | A | -0.8086 | |
| 341 | A | A | -0.9586 | |
| 342 | G | A | -1.0352 | |
| 343 | N | A | -1.8398 | |
| 344 | I | A | 0.0000 | |
| 345 | R | A | -1.5043 | |
| 346 | T | A | -1.5105 | |
| 347 | L | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | H | A | -1.5289 | |
| 350 | R | A | -1.6433 | |
| 351 | R | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | V | A | 0.4620 | |
| 354 | L | A | -0.1378 | |
| 355 | L | A | 0.0000 | |
| 356 | E | A | -0.1618 | |
| 357 | Q | A | -0.7283 | |
| 358 | K | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | N | A | -0.2254 | |
| 361 | L | A | 0.6705 | |
| 362 | H | A | 0.0000 | |
| 363 | L | A | 0.5927 | |
| 364 | M | A | 1.3635 | |
| 365 | L | A | 1.0957 | |
| 366 | N | A | 0.0000 | |
| 367 | A | A | -0.1509 | |
| 368 | D | A | -1.2904 | |
| 369 | K | A | -0.8893 | |
| 370 | E | A | 0.0000 | |
| 371 | F | A | 0.1107 | |
| 372 | L | A | 0.1129 | |
| 373 | A | A | 0.0000 | |
| 374 | Q | A | 0.0000 | |
| 375 | K | A | -1.1677 | |
| 376 | S | A | -1.5258 | |
| 377 | A | A | 0.0000 | |
| 378 | P | A | -1.1945 | |
| 379 | H | A | -1.7160 | |
| 380 | R | A | -1.5186 | |
| 381 | D | A | -1.2176 | |
| 382 | F | A | 0.2203 | |
| 383 | Y | A | 0.7255 | |
| 384 | N | A | -0.5321 | |
| 385 | V | A | 0.0000 | |
| 386 | R | A | -0.3861 | |
| 387 | K | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | D | A | 0.0000 | |
| 390 | T | A | 0.0000 | |
| 391 | H | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | H | A | -0.1463 | |
| 394 | H | A | 0.0000 | |
| 395 | S | A | -0.1784 | |
| 396 | A | A | 0.0000 | |
| 397 | C | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | N | A | -0.7686 | |
| 400 | Q | A | 0.0000 | |
| 401 | K | A | -1.3886 | |
| 402 | H | A | -1.4751 | |
| 403 | L | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | R | A | -2.2711 | |
| 406 | F | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | K | A | -1.6755 | |
| 409 | S | A | -1.9038 | |
| 410 | K | A | 0.0000 | |
| 411 | L | A | -2.0664 | |
| 412 | R | A | -3.1420 | |
| 413 | K | A | -3.0562 | |
| 414 | E | A | -2.3549 | |
| 415 | P | A | -2.6162 | |
| 416 | D | A | -2.8466 | |
| 417 | E | A | -1.5983 | |
| 418 | V | A | 0.4354 | |
| 419 | V | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | F | A | 0.9405 | |
| 422 | R | A | -1.4040 | |
| 423 | D | A | -2.1740 | |
| 424 | G | A | -1.1946 | |
| 425 | T | A | -0.1484 | |
| 426 | Y | A | 1.3545 | |
| 427 | L | A | -0.0655 | |
| 428 | T | A | -0.9487 | |
| 429 | L | A | 0.0000 | |
| 430 | R | A | -2.8339 | |
| 431 | E | A | -2.5661 | |
| 432 | V | A | 0.0000 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -3.1320 | |
| 435 | S | A | -1.9088 | |
| 436 | L | A | -1.5862 | |
| 437 | D | A | -2.5938 | |
| 438 | L | A | -1.4770 | |
| 439 | T | A | -1.0702 | |
| 440 | G | A | -0.8088 | |
| 441 | Y | A | 0.2465 | |
| 442 | D | A | -1.3685 | |
| 443 | L | A | 0.0000 | |
| 444 | N | A | -1.5457 | |
| 445 | V | A | -1.3115 | |
| 446 | D | A | -1.9696 | |
| 447 | L | A | -1.1913 | |
| 448 | L | A | 0.0000 | |
| 449 | D | A | -1.9973 | |
| 450 | V | A | 0.0000 | |
| 451 | H | A | -1.0800 | |
| 452 | A | A | -0.9958 | |
| 453 | D | A | -1.6305 | |
| 454 | K | A | -2.0761 | |
| 455 | S | A | -1.3491 | |
| 456 | T | A | 0.0000 | |
| 457 | F | A | -0.7792 | |
| 458 | H | A | -1.5236 | |
| 459 | R | A | -2.3982 | |
| 460 | F | A | -1.5736 | |
| 461 | D | A | -2.2191 | |
| 462 | K | A | -1.4903 | |
| 463 | F | A | 0.0000 | |
| 464 | N | A | -0.9010 | |
| 465 | L | A | 0.2552 | |
| 466 | K | A | 0.0000 | |
| 467 | Y | A | -0.1132 | |
| 468 | N | A | 0.0000 | |
| 469 | P | A | 0.0000 | |
| 470 | C | A | -0.7496 | |
| 471 | G | A | -0.6804 | |
| 472 | Q | A | -0.8752 | |
| 473 | S | A | -0.6886 | |
| 474 | R | A | -0.9817 | |
| 475 | L | A | 0.0000 | |
| 476 | R | A | -0.9189 | |
| 477 | E | A | -1.1792 | |
| 478 | I | A | 0.0000 | |
| 479 | F | A | 0.0000 | |
| 480 | L | A | 0.0000 | |
| 481 | K | A | -1.1258 | |
| 482 | Q | A | -1.2525 | |
| 483 | D | A | -1.4645 | |
| 484 | N | A | -0.7148 | |
| 485 | L | A | 0.7610 | |
| 486 | I | A | -0.3481 | |
| 487 | Q | A | -1.6532 | |
| 488 | G | A | 0.0000 | |
| 489 | R | A | -1.7288 | |
| 490 | F | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | G | A | 0.0000 | |
| 493 | E | A | -2.0490 | |
| 494 | I | A | 0.0000 | |
| 495 | T | A | 0.0000 | |
| 496 | K | A | -1.8153 | |
| 497 | Q | A | -1.4685 | |
| 498 | V | A | 0.0000 | |
| 499 | F | A | 0.0000 | |
| 500 | S | A | -1.1767 | |
| 501 | D | A | -1.8485 | |
| 502 | L | A | -1.4296 | |
| 503 | E | A | -1.8801 | |
| 504 | A | A | -1.1937 | |
| 505 | S | A | -1.2445 | |
| 506 | K | A | -1.9446 | |
| 507 | Y | A | -0.4801 | |
| 508 | Q | A | -0.6696 | |
| 509 | M | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | E | A | 0.0000 | |
| 512 | Y | A | 0.0000 | |
| 513 | R | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | S | A | -0.1023 | |
| 516 | I | A | 0.0000 | |
| 517 | Y | A | -0.1395 | |
| 518 | G | A | 0.0000 | |
| 519 | R | A | -0.8855 | |
| 520 | K | A | -1.3985 | |
| 521 | M | A | -0.6422 | |
| 522 | S | A | -0.9152 | |
| 523 | E | A | 0.0000 | |
| 524 | W | A | 0.0000 | |
| 525 | D | A | -1.2116 | |
| 526 | Q | A | -1.3905 | |
| 527 | L | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | S | A | -1.3663 | |
| 530 | W | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
| 532 | V | A | -1.1381 | |
| 533 | N | A | -2.1148 | |
| 534 | N | A | -2.2239 | |
| 535 | D | A | -2.3109 | |
| 536 | L | A | 0.0000 | |
| 537 | Y | A | -0.7403 | |
| 538 | S | A | 0.0000 | |
| 539 | E | A | -1.3265 | |
| 540 | N | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | W | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | Q | A | -0.1742 | |
| 547 | L | A | 0.0000 | |
| 548 | P | A | -0.0646 | |
| 549 | R | A | 0.0000 | |
| 550 | L | A | 0.3388 | |
| 551 | Y | A | 0.0000 | |
| 552 | N | A | -0.1694 | |
| 553 | I | A | 0.5510 | |
| 554 | Y | A | 0.0000 | |
| 555 | K | A | -0.6063 | |
| 556 | D | A | -1.1319 | |
| 557 | M | A | 0.3238 | |
| 558 | G | A | -0.1596 | |
| 559 | I | A | 0.4333 | |
| 560 | V | A | 0.0000 | |
| 561 | T | A | -0.4631 | |
| 562 | S | A | 0.0000 | |
| 563 | F | A | 0.0000 | |
| 564 | Q | A | -0.9746 | |
| 565 | N | A | -0.6867 | |
| 566 | I | A | 0.0000 | |
| 567 | L | A | 0.0000 | |
| 568 | D | A | -0.5338 | |
| 569 | N | A | -0.6448 | |
| 570 | I | A | 0.0000 | |
| 571 | F | A | 0.0000 | |
| 572 | I | A | -0.0724 | |
| 573 | P | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | F | A | 0.0000 | |
| 576 | E | A | -1.1886 | |
| 577 | A | A | 0.0000 | |
| 578 | T | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | D | A | -2.0406 | |
| 581 | P | A | 0.0000 | |
| 582 | D | A | -1.7037 | |
| 583 | S | A | -1.2870 | |
| 584 | H | A | -1.1118 | |
| 585 | P | A | -0.9233 | |
| 586 | Q | A | -1.3197 | |
| 587 | L | A | 0.0000 | |
| 588 | H | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | F | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | K | A | -1.5899 | |
| 593 | Q | A | -0.9078 | |
| 594 | V | A | 0.0000 | |
| 595 | V | A | -0.2099 | |
| 596 | G | A | 0.0000 | |
| 597 | F | A | 0.0000 | |
| 598 | D | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | V | A | 0.0000 | |
| 601 | D | A | -0.6387 | |
| 602 | D | A | -1.2136 | |
| 603 | E | A | 0.0000 | |
| 604 | S | A | -1.5059 | |
| 605 | K | A | -1.7940 | |
| 606 | P | A | -1.9355 | |
| 607 | E | A | -2.2814 | |
| 608 | R | A | -2.6723 | |
| 609 | R | A | -2.5332 | |
| 610 | P | A | 0.0000 | |
| 611 | T | A | -1.4031 | |
| 612 | K | A | -1.5310 | |
| 613 | H | A | -1.4168 | |
| 614 | M | A | -0.7678 | |
| 615 | P | A | -0.9235 | |
| 616 | T | A | -1.2033 | |
| 617 | P | A | 0.0000 | |
| 618 | A | A | -1.1872 | |
| 619 | Q | A | -1.5515 | |
| 620 | W | A | 0.0000 | |
| 621 | T | A | -0.6091 | |
| 622 | N | A | -0.5601 | |
| 623 | A | A | 0.0138 | |
| 624 | F | A | 0.7573 | |
| 625 | N | A | -0.1408 | |
| 626 | P | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | F | A | 0.0000 | |
| 629 | S | A | 0.0000 | |
| 630 | Y | A | 0.0000 | |
| 631 | Y | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | Y | A | 0.0000 | |
| 635 | C | A | 0.0000 | |
| 636 | Y | A | 0.0000 | |
| 637 | A | A | 0.0000 | |
| 638 | N | A | 0.0000 | |
| 639 | L | A | 0.0000 | |
| 640 | Y | A | 0.2184 | |
| 641 | V | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | N | A | 0.0000 | |
| 644 | K | A | -0.5659 | |
| 645 | L | A | 0.0000 | |
| 646 | R | A | 0.0000 | |
| 647 | E | A | -0.8961 | |
| 648 | S | A | -0.8801 | |
| 649 | K | A | -0.8763 | |
| 650 | G | A | -1.0287 | |
| 651 | M | A | -0.7117 | |
| 652 | T | A | -0.6618 | |
| 653 | T | A | -0.5380 | |
| 654 | I | A | 0.0000 | |
| 655 | T | A | -0.0453 | |
| 656 | L | A | 0.0000 | |
| 657 | R | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | H | A | -0.2179 | |
| 660 | S | A | 0.0000 | |
| 661 | G | A | 0.0000 | |
| 662 | E | A | -0.3459 | |
| 663 | A | A | -0.6708 | |
| 664 | G | A | -1.1739 | |
| 665 | D | A | -1.5665 | |
| 666 | I | A | -0.4324 | |
| 667 | D | A | 0.0000 | |
| 668 | H | A | 0.0000 | |
| 669 | L | A | 0.0000 | |
| 670 | A | A | 0.0000 | |
| 671 | A | A | 0.0000 | |
| 672 | T | A | 0.0000 | |
| 673 | F | A | 0.0000 | |
| 674 | L | A | 0.0000 | |
| 675 | T | A | 0.0000 | |
| 676 | C | A | 0.0000 | |
| 677 | H | A | -0.0936 | |
| 678 | S | A | -0.2114 | |
| 679 | I | A | 0.0000 | |
| 680 | A | A | 0.0000 | |
| 681 | H | A | 0.0000 | |
| 682 | G | A | 0.0000 | |
| 683 | I | A | 0.0000 | |
| 684 | N | A | 0.0000 | |
| 685 | L | A | 0.0000 | |
| 686 | R | A | -2.0365 | |
| 687 | K | A | -2.3575 | |
| 688 | S | A | 0.0000 | |
| 689 | P | A | -1.2735 | |
| 690 | V | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | Q | A | 0.0000 | |
| 693 | Y | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | Y | A | 0.0000 | |
| 696 | Y | A | 0.0000 | |
| 697 | L | A | 0.0000 | |
| 698 | A | A | -0.1437 | |
| 699 | Q | A | -0.1078 | |
| 700 | I | A | 0.0000 | |
| 701 | G | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | A | A | 0.0000 | |
| 704 | M | A | 0.0000 | |
| 705 | S | A | 0.0000 | |
| 706 | P | A | 0.0000 | |
| 707 | L | A | -0.0893 | |
| 708 | S | A | 0.0000 | |
| 709 | N | A | 0.0000 | |
| 710 | N | A | -1.1726 | |
| 711 | S | A | -0.8727 | |
| 712 | L | A | 0.0000 | |
| 713 | F | A | -0.2561 | |
| 714 | L | A | -0.9974 | |
| 715 | D | A | -1.9131 | |
| 716 | Y | A | 0.0000 | |
| 717 | H | A | -2.1232 | |
| 718 | R | A | -2.6428 | |
| 719 | N | A | 0.0000 | |
| 720 | P | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | P | A | -0.1098 | |
| 723 | V | A | 0.3540 | |
| 724 | F | A | 0.0000 | |
| 725 | F | A | 0.0000 | |
| 726 | L | A | 0.1774 | |
| 727 | R | A | -0.0276 | |
| 728 | G | A | -0.1548 | |
| 729 | L | A | 0.0000 | |
| 730 | N | A | -0.3390 | |
| 731 | V | A | 0.0000 | |
| 732 | S | A | 0.0000 | |
| 733 | L | A | 0.0000 | |
| 734 | S | A | 0.0000 | |
| 735 | T | A | 0.0000 | |
| 736 | D | A | 0.0000 | |
| 737 | D | A | 0.0000 | |
| 738 | P | A | 0.0000 | |
| 739 | L | A | 0.0000 | |
| 740 | Q | A | 0.0000 | |
| 741 | I | A | 0.0000 | |
| 742 | H | A | 0.0000 | |
| 743 | L | A | 0.3550 | |
| 744 | T | A | -0.8113 | |
| 745 | K | A | -2.2579 | |
| 746 | E | A | -1.8246 | |
| 747 | P | A | -0.8325 | |
| 748 | L | A | 0.0000 | |
| 749 | V | A | -0.2192 | |
| 750 | E | A | -0.3428 | |
| 751 | E | A | 0.0000 | |
| 752 | Y | A | 0.0000 | |
| 753 | S | A | 0.1636 | |
| 754 | I | A | 0.4712 | |
| 755 | A | A | 0.0000 | |
| 756 | A | A | -0.2794 | |
| 757 | S | A | -0.2210 | |
| 758 | V | A | 0.0630 | |
| 759 | W | A | -0.3910 | |
| 760 | K | A | -1.3691 | |
| 761 | L | A | -0.5132 | |
| 762 | S | A | -0.2312 | |
| 763 | A | A | -0.1022 | |
| 764 | C | A | 0.0000 | |
| 765 | D | A | 0.0000 | |
| 766 | L | A | 0.0000 | |
| 767 | C | A | 0.0000 | |
| 768 | E | A | 0.0000 | |
| 769 | I | A | 0.0000 | |
| 770 | A | A | 0.0000 | |
| 771 | R | A | 0.0000 | |
| 772 | N | A | -0.2329 | |
| 773 | S | A | 0.0000 | |
| 774 | V | A | 0.0000 | |
| 775 | Y | A | 0.2740 | |
| 776 | Q | A | -0.1939 | |
| 777 | S | A | 0.0000 | |
| 778 | G | A | -0.1689 | |
| 779 | F | A | 0.0000 | |
| 780 | S | A | -0.2603 | |
| 781 | H | A | 0.0000 | |
| 782 | A | A | -0.5155 | |
| 783 | L | A | -0.1558 | |
| 784 | K | A | 0.0000 | |
| 785 | S | A | 0.0000 | |
| 786 | H | A | -0.6744 | |
| 787 | W | A | 0.0000 | |
| 788 | I | A | 0.0000 | |
| 789 | G | A | 0.0000 | |
| 790 | K | A | -2.1055 | |
| 791 | D | A | -2.5521 | |
| 792 | Y | A | 0.0000 | |
| 793 | Y | A | -1.0544 | |
| 794 | K | A | -2.2775 | |
| 795 | R | A | -1.8328 | |
| 796 | G | A | 0.0000 | |
| 797 | P | A | -1.3803 | |
| 798 | D | A | -2.6566 | |
| 799 | G | A | 0.0000 | |
| 800 | N | A | 0.0000 | |
| 801 | D | A | -1.5365 | |
| 802 | I | A | 0.0000 | |
| 803 | H | A | -1.2478 | |
| 804 | K | A | -1.2074 | |
| 805 | T | A | 0.0000 | |
| 806 | N | A | 0.0000 | |
| 807 | V | A | 0.0000 | |
| 808 | P | A | 0.0000 | |
| 809 | H | A | -0.9298 | |
| 810 | I | A | 0.0000 | |
| 811 | R | A | 0.0000 | |
| 812 | V | A | -0.5037 | |
| 813 | E | A | -1.0039 | |
| 814 | F | A | 0.0000 | |
| 815 | R | A | -0.5022 | |
| 816 | D | A | 0.0000 | |
| 817 | T | A | -0.9463 | |
| 818 | I | A | 0.0000 | |
| 819 | W | A | -0.6289 | |
| 820 | K | A | -0.9195 | |
| 821 | E | A | -0.8052 | |
| 822 | E | A | 0.0000 | |
| 823 | M | A | -0.3066 | |
| 824 | Q | A | -0.5276 | |
| 825 | Q | A | 0.0000 | |
| 826 | V | A | 0.0000 | |
| 827 | Y | A | -0.2364 | |
| 828 | L | A | 0.2040 | |
| 829 | G | A | -0.6195 | |
| 830 | K | A | -1.1421 | |
| 831 | A | A | -0.0297 | |
| 832 | V | A | 1.1718 | |
| 833 | I | A | 0.2205 | |
| 834 | S | A | -0.6143 | |
| 835 | D | A | -2.4018 | |
| 836 | E | A | -1.6454 | |
| 837 | V | A | 0.0836 | |
| 838 | V | A | 1.3427 | |
| 839 | P | A | 0.5494 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3605 | 7.2223 | View | CSV | PDB |
| 4.5 | -0.4334 | 7.2551 | View | CSV | PDB |
| 5.0 | -0.5224 | 7.3255 | View | CSV | PDB |
| 5.5 | -0.6121 | 7.4333 | View | CSV | PDB |
| 6.0 | -0.6873 | 7.5504 | View | CSV | PDB |
| 6.5 | -0.7383 | 7.6523 | View | CSV | PDB |
| 7.0 | -0.7657 | 7.738 | View | CSV | PDB |
| 7.5 | -0.7772 | 7.8156 | View | CSV | PDB |
| 8.0 | -0.7789 | 7.89 | View | CSV | PDB |
| 8.5 | -0.7713 | 7.9631 | View | CSV | PDB |
| 9.0 | -0.7516 | 8.0346 | 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