| Chain sequence(s) |
A: AAARAPLARLYEALGERRFRDLLLLYFSQLFQKLPFEKILELVEELLAEARRCVADPAAPGCDASLEELICSRLCELPDLESTYGDLAKCCELEMPENWECFLSYLDLDPGLPKPEYDPKKLCEEYKKDKEEFRRRFIYEVARRNPFIEPTLLLYFAEKVVGIFEECCSSEDIEACLYPKLKELEKEIEEAALESLLKRYLIEHFGEEELRRLLVVELSSRFPKADFDLIMELVEKRTEVIVLASNGNLLEATVKAFELTDWICNNIDKISSNLGECCKKDPLERYYCILNVPKDEVPKDVEPLEKEFADDPNVCEKYKKDKEGFLDKFAYEYARQHPDLANPLKMLIVDEYEKILEEGCKKKDPLSVIKNVLEKLKKLVEKFKPIVKKLCEIYKKLGKKGFTLYLAREVTRKLPHLPTDVLVKFSIKLGELGETCCDLPEEEQLPCFLEKLYLVLTELCALSLVNPVDPRLLKICTESPYTMIENFFNLEPSDDYEPEPFDESKFTFTPEICTLPKEEQEELLLRFVVELFKTYPNVSDEKFEEILKLLEELIKKCCSSDDKEACFKKLNPIFIKKVKELCS
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/31a0a94df2afcb0/tmp/folded.pdb (00:20:54)
[INFO] Main: Simulation completed successfully. (00:23:41)
|
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 | A | A | -0.0776 | |
| 2 | A | A | -0.1731 | |
| 3 | A | A | -0.6392 | |
| 4 | R | A | -1.4780 | |
| 5 | A | A | 0.0000 | |
| 6 | P | A | -1.0204 | |
| 7 | L | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | R | A | -1.4566 | |
| 10 | L | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | E | A | -1.9258 | |
| 13 | A | A | -0.9811 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -1.8942 | |
| 16 | E | A | -2.7241 | |
| 17 | R | A | -2.7598 | |
| 18 | R | A | -1.7638 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -1.9428 | |
| 21 | D | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | K | A | -1.6575 | |
| 34 | L | A | -1.1560 | |
| 35 | P | A | -1.2474 | |
| 36 | F | A | 0.0000 | |
| 37 | E | A | -2.6416 | |
| 38 | K | A | -2.1853 | |
| 39 | I | A | 0.0000 | |
| 40 | L | A | -2.2635 | |
| 41 | E | A | -3.2883 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | E | A | -3.1908 | |
| 45 | E | A | -2.7220 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | -2.1296 | |
| 48 | A | A | -1.8291 | |
| 49 | E | A | -1.8055 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -2.7013 | |
| 52 | R | A | -2.2014 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.7046 | |
| 55 | A | A | -1.4744 | |
| 56 | D | A | -2.2819 | |
| 57 | P | A | -1.8729 | |
| 58 | A | A | -1.1775 | |
| 59 | A | A | -1.2330 | |
| 60 | P | A | -1.1171 | |
| 61 | G | A | -1.2836 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -2.1450 | |
| 64 | A | A | -1.2757 | |
| 65 | S | A | -0.8622 | |
| 66 | L | A | 0.0000 | |
| 67 | E | A | -0.6128 | |
| 68 | E | A | -1.0186 | |
| 69 | L | A | -0.4435 | |
| 70 | I | A | 0.0000 | |
| 71 | C | A | 0.0000 | |
| 72 | S | A | -0.6467 | |
| 73 | R | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.4810 | |
| 76 | E | A | -2.0098 | |
| 77 | L | A | 0.0000 | |
| 78 | P | A | -1.8705 | |
| 79 | D | A | -2.7710 | |
| 80 | L | A | 0.0000 | |
| 81 | E | A | -3.2237 | |
| 82 | S | A | -2.0035 | |
| 83 | T | A | -1.7433 | |
| 84 | Y | A | -1.7124 | |
| 85 | G | A | -2.3715 | |
| 86 | D | A | -2.7519 | |
| 87 | L | A | 0.0000 | |
| 88 | A | A | -2.7021 | |
| 89 | K | A | -2.8917 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.8587 | |
| 92 | E | A | -2.4767 | |
| 93 | L | A | -2.0338 | |
| 94 | E | A | -2.3989 | |
| 95 | M | A | -1.7561 | |
| 96 | P | A | -1.8090 | |
| 97 | E | A | -2.7843 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | 0.0000 | |
| 100 | E | A | -2.2514 | |
| 101 | C | A | -1.1195 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.5365 | |
| 104 | S | A | -0.0231 | |
| 105 | Y | A | 0.3443 | |
| 106 | L | A | -0.1364 | |
| 107 | D | A | -1.1371 | |
| 108 | L | A | -1.0725 | |
| 109 | D | A | -2.0471 | |
| 110 | P | A | -1.7084 | |
| 111 | G | A | -1.5372 | |
| 112 | L | A | -1.2451 | |
| 113 | P | A | -1.3670 | |
| 114 | K | A | -2.2950 | |
| 115 | P | A | -1.7646 | |
| 116 | E | A | -2.1832 | |
| 117 | Y | A | -0.8137 | |
| 118 | D | A | -1.8706 | |
| 119 | P | A | -1.7835 | |
| 120 | K | A | -2.9988 | |
| 121 | K | A | -3.3151 | |
| 122 | L | A | -2.5693 | |
| 123 | C | A | 0.0000 | |
| 124 | E | A | -4.5934 | |
| 125 | E | A | -4.7124 | |
| 126 | Y | A | 0.0000 | |
| 127 | K | A | -4.6720 | |
| 128 | K | A | -4.6375 | |
| 129 | D | A | -4.3972 | |
| 130 | K | A | -4.4227 | |
| 131 | E | A | -3.5175 | |
| 132 | E | A | -3.5210 | |
| 133 | F | A | -3.1312 | |
| 134 | R | A | 0.0000 | |
| 135 | R | A | -1.9608 | |
| 136 | R | A | -2.3849 | |
| 137 | F | A | -1.0890 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.8187 | |
| 141 | V | A | -0.6543 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | R | A | -1.2317 | |
| 145 | N | A | -0.7664 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | -0.0585 | |
| 148 | I | A | 0.0000 | |
| 149 | E | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | E | A | -1.9486 | |
| 159 | K | A | -1.6111 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | G | A | -1.9794 | |
| 163 | I | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | E | A | -3.2722 | |
| 166 | E | A | -2.7772 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | -2.3556 | |
| 169 | S | A | -1.6950 | |
| 170 | S | A | -2.1777 | |
| 171 | E | A | -2.7590 | |
| 172 | D | A | -2.7688 | |
| 173 | I | A | -1.8057 | |
| 174 | E | A | -1.5157 | |
| 175 | A | A | -0.8467 | |
| 176 | C | A | -0.8947 | |
| 177 | L | A | 0.0000 | |
| 178 | Y | A | 0.1152 | |
| 179 | P | A | -1.1121 | |
| 180 | K | A | -1.8621 | |
| 181 | L | A | -1.9191 | |
| 182 | K | A | -3.2188 | |
| 183 | E | A | -3.9511 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | -4.4019 | |
| 186 | K | A | -4.5625 | |
| 187 | E | A | -3.2631 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -3.4292 | |
| 190 | E | A | -2.8301 | |
| 191 | A | A | -1.7568 | |
| 192 | A | A | -1.3037 | |
| 193 | L | A | -1.1230 | |
| 194 | E | A | -1.4065 | |
| 195 | S | A | -0.7216 | |
| 196 | L | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -0.8456 | |
| 199 | R | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | I | A | -1.8394 | |
| 203 | E | A | -2.2471 | |
| 204 | H | A | -1.6852 | |
| 205 | F | A | -1.3247 | |
| 206 | G | A | -1.8881 | |
| 207 | E | A | -2.7133 | |
| 208 | E | A | -3.1285 | |
| 209 | E | A | -2.1663 | |
| 210 | L | A | 0.0000 | |
| 211 | R | A | -2.7214 | |
| 212 | R | A | -1.8970 | |
| 213 | L | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -0.6339 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | R | A | -1.6705 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -2.8493 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.8032 | |
| 227 | F | A | -1.8149 | |
| 228 | D | A | -2.3674 | |
| 229 | L | A | -2.0090 | |
| 230 | I | A | 0.0000 | |
| 231 | M | A | -1.9603 | |
| 232 | E | A | -2.2627 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | E | A | -3.1348 | |
| 236 | K | A | -2.6932 | |
| 237 | R | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | E | A | -2.2117 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | V | A | -0.7011 | |
| 243 | L | A | -0.4994 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -0.5658 | |
| 246 | N | A | -1.0348 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | -0.5340 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.4724 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | -0.5252 | |
| 255 | K | A | -1.5789 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | -1.1278 | |
| 258 | E | A | -2.3513 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -2.1388 | |
| 262 | W | A | -1.3881 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -1.6314 | |
| 265 | N | A | -1.9144 | |
| 266 | N | A | -1.7300 | |
| 267 | I | A | -1.6629 | |
| 268 | D | A | -2.8067 | |
| 269 | K | A | -3.2291 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.6262 | |
| 273 | N | A | -1.6831 | |
| 274 | L | A | 0.0000 | |
| 275 | G | A | -1.7941 | |
| 276 | E | A | -2.7394 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.3779 | |
| 279 | K | A | -3.1854 | |
| 280 | K | A | -3.1412 | |
| 281 | D | A | -2.8238 | |
| 282 | P | A | -1.8378 | |
| 283 | L | A | -1.0153 | |
| 284 | E | A | -1.7524 | |
| 285 | R | A | -1.9677 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | -0.2957 | |
| 288 | C | A | -0.7623 | |
| 289 | I | A | 0.0000 | |
| 290 | L | A | -0.3804 | |
| 291 | N | A | -1.4229 | |
| 292 | V | A | 0.0000 | |
| 293 | P | A | -1.7792 | |
| 294 | K | A | -2.7849 | |
| 295 | D | A | 0.0000 | |
| 296 | E | A | -2.6556 | |
| 297 | V | A | -1.9907 | |
| 298 | P | A | -2.2382 | |
| 299 | K | A | -3.0222 | |
| 300 | D | A | -2.8241 | |
| 301 | V | A | -2.0767 | |
| 302 | E | A | -3.0296 | |
| 303 | P | A | -2.2632 | |
| 304 | L | A | 0.0000 | |
| 305 | E | A | -3.8512 | |
| 306 | K | A | -3.9862 | |
| 307 | E | A | -3.0277 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | D | A | -3.9175 | |
| 311 | D | A | -2.9339 | |
| 312 | P | A | -2.0256 | |
| 313 | N | A | -2.1953 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -3.2194 | |
| 317 | K | A | -3.1015 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -3.8144 | |
| 320 | K | A | -4.1629 | |
| 321 | D | A | -4.4079 | |
| 322 | K | A | -4.1173 | |
| 323 | E | A | -3.7458 | |
| 324 | G | A | -2.4610 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | -1.6368 | |
| 328 | K | A | -1.2340 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.8897 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -1.2856 | |
| 336 | Q | A | -1.1446 | |
| 337 | H | A | -0.9072 | |
| 338 | P | A | 0.0000 | |
| 339 | D | A | -2.4752 | |
| 340 | L | A | -1.2041 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | -0.4849 | |
| 343 | P | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | D | A | -1.4008 | |
| 351 | E | A | -1.8247 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.6150 | |
| 354 | K | A | -3.0926 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.3733 | |
| 358 | E | A | -3.5461 | |
| 359 | G | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | K | A | -3.8614 | |
| 362 | K | A | -4.1433 | |
| 363 | K | A | -3.5718 | |
| 364 | D | A | -3.0898 | |
| 365 | P | A | -2.5315 | |
| 366 | L | A | -1.8330 | |
| 367 | S | A | -1.5817 | |
| 368 | V | A | -1.0839 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -3.1145 | |
| 371 | N | A | -3.1775 | |
| 372 | V | A | 0.0000 | |
| 373 | L | A | -2.7526 | |
| 374 | E | A | -4.1674 | |
| 375 | K | A | -3.8673 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.8781 | |
| 378 | K | A | -4.1112 | |
| 379 | L | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | E | A | -3.1124 | |
| 382 | K | A | -2.4572 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -2.3352 | |
| 385 | P | A | -1.4503 | |
| 386 | I | A | -0.9362 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.0662 | |
| 389 | K | A | -2.3977 | |
| 390 | L | A | -1.4739 | |
| 391 | C | A | 0.0000 | |
| 392 | E | A | -3.1499 | |
| 393 | I | A | -2.0457 | |
| 394 | Y | A | -2.6010 | |
| 395 | K | A | -3.5936 | |
| 396 | K | A | -2.6787 | |
| 397 | L | A | -1.2089 | |
| 398 | G | A | -2.0383 | |
| 399 | K | A | -2.7394 | |
| 400 | K | A | -1.7688 | |
| 401 | G | A | -0.9564 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | Y | A | -0.4533 | |
| 406 | L | A | 0.0016 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | -0.6634 | |
| 409 | E | A | -0.8293 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.4729 | |
| 413 | K | A | -1.6043 | |
| 414 | L | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | H | A | -0.6816 | |
| 417 | L | A | 0.0000 | |
| 418 | P | A | -0.6068 | |
| 419 | T | A | -1.1840 | |
| 420 | D | A | -1.9931 | |
| 421 | V | A | -0.6815 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | K | A | -1.1555 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -0.9783 | |
| 428 | K | A | -0.9332 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -2.7006 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | E | A | -3.0234 | |
| 435 | T | A | -1.5783 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | D | A | -2.5415 | |
| 439 | L | A | -1.7080 | |
| 440 | P | A | -2.1792 | |
| 441 | E | A | -3.5270 | |
| 442 | E | A | -3.6693 | |
| 443 | E | A | -3.2364 | |
| 444 | Q | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | P | A | -1.4973 | |
| 447 | C | A | -0.8324 | |
| 448 | F | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | E | A | -0.5562 | |
| 451 | K | A | -1.0268 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.1516 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | 0.3893 | |
| 462 | L | A | 0.2830 | |
| 463 | S | A | 0.0000 | |
| 464 | L | A | 0.8915 | |
| 465 | V | A | 1.3477 | |
| 466 | N | A | -0.1420 | |
| 467 | P | A | 0.0338 | |
| 468 | V | A | 0.3223 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -0.6787 | |
| 471 | R | A | -1.1847 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | -1.1076 | |
| 474 | K | A | -2.4178 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4814 | |
| 478 | E | A | -2.4320 | |
| 479 | S | A | -1.2368 | |
| 480 | P | A | 0.0000 | |
| 481 | Y | A | -0.4222 | |
| 482 | T | A | -0.5688 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | E | A | -0.9319 | |
| 486 | N | A | -1.8032 | |
| 487 | F | A | 0.0000 | |
| 488 | F | A | -0.8046 | |
| 489 | N | A | -1.9453 | |
| 490 | L | A | 0.0000 | |
| 491 | E | A | -2.7323 | |
| 492 | P | A | -2.2956 | |
| 493 | S | A | -2.4059 | |
| 494 | D | A | -3.2672 | |
| 495 | D | A | -3.0897 | |
| 496 | Y | A | -2.5298 | |
| 497 | E | A | -2.9345 | |
| 498 | P | A | -2.0747 | |
| 499 | E | A | -2.2162 | |
| 500 | P | A | -1.4641 | |
| 501 | F | A | -1.2769 | |
| 502 | D | A | -2.2362 | |
| 503 | E | A | -2.8197 | |
| 504 | S | A | -1.8773 | |
| 505 | K | A | -2.2384 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.2435 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.3639 | |
| 510 | P | A | -1.9034 | |
| 511 | E | A | -2.0376 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -0.8781 | |
| 514 | T | A | -0.7914 | |
| 515 | L | A | -1.3154 | |
| 516 | P | A | -2.1222 | |
| 517 | K | A | -3.3017 | |
| 518 | E | A | -3.7128 | |
| 519 | E | A | -3.3839 | |
| 520 | Q | A | -2.7479 | |
| 521 | E | A | -2.5680 | |
| 522 | E | A | -2.6870 | |
| 523 | L | A | -1.4953 | |
| 524 | L | A | 0.0000 | |
| 525 | L | A | 0.0000 | |
| 526 | R | A | -1.8413 | |
| 527 | F | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -1.1001 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | T | A | -1.0776 | |
| 535 | Y | A | -0.8044 | |
| 536 | P | A | -1.3446 | |
| 537 | N | A | -1.5516 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -2.4397 | |
| 540 | D | A | -3.7681 | |
| 541 | E | A | -4.0049 | |
| 542 | K | A | -3.5674 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -4.0386 | |
| 545 | E | A | -3.8373 | |
| 546 | I | A | 0.0000 | |
| 547 | L | A | -2.2292 | |
| 548 | K | A | -3.3997 | |
| 549 | L | A | -2.4420 | |
| 550 | L | A | 0.0000 | |
| 551 | E | A | -3.5738 | |
| 552 | E | A | -3.7705 | |
| 553 | L | A | 0.0000 | |
| 554 | I | A | -2.3170 | |
| 555 | K | A | -3.3983 | |
| 556 | K | A | -3.2275 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -2.2310 | |
| 559 | S | A | -1.8207 | |
| 560 | S | A | -2.5437 | |
| 561 | D | A | -3.0349 | |
| 562 | D | A | -3.3571 | |
| 563 | K | A | -3.5605 | |
| 564 | E | A | -3.7307 | |
| 565 | A | A | -2.7548 | |
| 566 | C | A | -2.7022 | |
| 567 | F | A | 0.0000 | |
| 568 | K | A | -2.9140 | |
| 569 | K | A | -2.5187 | |
| 570 | L | A | -1.0720 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -1.0534 | |
| 573 | I | A | -0.1270 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -2.5778 | |
| 577 | K | A | -2.3044 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.3527 | |
| 580 | E | A | -2.9127 | |
| 581 | L | A | -1.9587 | |
| 582 | C | A | -1.3601 | |
| 583 | S | A | -1.1221 |
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 | -1.0314 | 2.5486 | View | CSV | PDB |
| 4.5 | -1.171 | 2.5518 | View | CSV | PDB |
| 5.0 | -1.3497 | 2.5579 | View | CSV | PDB |
| 5.5 | -1.5358 | 2.5656 | View | CSV | PDB |
| 6.0 | -1.6931 | 2.5718 | View | CSV | PDB |
| 6.5 | -1.7898 | 2.5751 | View | CSV | PDB |
| 7.0 | -1.8158 | 2.5764 | View | CSV | PDB |
| 7.5 | -1.7894 | 2.5769 | View | CSV | PDB |
| 8.0 | -1.7341 | 2.577 | View | CSV | PDB |
| 8.5 | -1.6612 | 2.5771 | View | CSV | PDB |
| 9.0 | -1.5725 | 2.5771 | 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