| Chain sequence(s) |
A: MGADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDWKGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAGNRVRRSVGSSLSCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVESIINLFQVVHNSYNRPAYSPGHKTAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2d8112555ad6fa3/tmp/folded.pdb (00:11:47)
[INFO] Main: Simulation completed successfully. (00:16:13)
|
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 | 0.1156 | |
| 2 | G | A | -0.9104 | |
| 3 | A | A | -1.3904 | |
| 4 | D | A | -2.3538 | |
| 5 | D | A | -1.7930 | |
| 6 | V | A | 0.0000 | |
| 7 | V | A | -1.5837 | |
| 8 | D | A | -1.7674 | |
| 9 | S | A | -1.4237 | |
| 10 | S | A | -1.0807 | |
| 11 | K | A | -1.9207 | |
| 12 | S | A | -0.4810 | |
| 13 | F | A | 0.4585 | |
| 14 | V | A | 0.5034 | |
| 15 | M | A | -0.0566 | |
| 16 | E | A | -1.9451 | |
| 17 | N | A | -2.0228 | |
| 18 | F | A | 0.0000 | |
| 19 | S | A | -0.9545 | |
| 20 | S | A | 0.0000 | |
| 21 | Y | A | 0.0000 | |
| 22 | H | A | -0.4192 | |
| 23 | G | A | 0.0000 | |
| 24 | T | A | 0.0000 | |
| 25 | K | A | -0.4897 | |
| 26 | P | A | -1.1509 | |
| 27 | G | A | -0.6132 | |
| 28 | Y | A | 0.3137 | |
| 29 | V | A | 0.0000 | |
| 30 | D | A | -2.0817 | |
| 31 | S | A | -1.2561 | |
| 32 | I | A | -1.2408 | |
| 33 | Q | A | -1.9666 | |
| 34 | K | A | -2.6165 | |
| 35 | G | A | -1.9129 | |
| 36 | I | A | 0.0000 | |
| 37 | Q | A | -2.8354 | |
| 38 | K | A | -2.6850 | |
| 39 | P | A | -1.8780 | |
| 40 | K | A | -2.2998 | |
| 41 | S | A | -1.3863 | |
| 42 | G | A | -0.9408 | |
| 43 | T | A | -0.8608 | |
| 44 | Q | A | -1.4648 | |
| 45 | G | A | -0.9427 | |
| 46 | N | A | 0.0000 | |
| 47 | Y | A | -0.5116 | |
| 48 | D | A | -1.4380 | |
| 49 | D | A | -2.7576 | |
| 50 | D | A | -2.2676 | |
| 51 | W | A | 0.0000 | |
| 52 | K | A | -1.7526 | |
| 53 | G | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.0813 | |
| 56 | S | A | 0.0000 | |
| 57 | T | A | 0.0000 | |
| 58 | D | A | -1.4693 | |
| 59 | N | A | -1.0348 | |
| 60 | K | A | -0.9395 | |
| 61 | Y | A | -0.1807 | |
| 62 | D | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | G | A | 0.2248 | |
| 66 | Y | A | 0.5794 | |
| 67 | S | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | D | A | -1.8056 | |
| 70 | N | A | -1.9882 | |
| 71 | E | A | -2.5693 | |
| 72 | N | A | -1.7793 | |
| 73 | P | A | -1.0706 | |
| 74 | L | A | -0.5618 | |
| 75 | S | A | 0.0000 | |
| 76 | G | A | -1.3592 | |
| 77 | K | A | -2.5376 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | K | A | -1.5053 | |
| 84 | V | A | 0.0000 | |
| 85 | T | A | -1.1308 | |
| 86 | Y | A | 0.0000 | |
| 87 | P | A | -1.0795 | |
| 88 | G | A | -1.1280 | |
| 89 | L | A | -0.6779 | |
| 90 | T | A | 0.0000 | |
| 91 | K | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -2.1740 | |
| 97 | V | A | -0.8679 | |
| 98 | D | A | -1.1010 | |
| 99 | N | A | -1.4178 | |
| 100 | A | A | 0.0000 | |
| 101 | E | A | -2.2823 | |
| 102 | T | A | -1.6834 | |
| 103 | I | A | 0.0000 | |
| 104 | K | A | 0.0000 | |
| 105 | K | A | -2.1999 | |
| 106 | E | A | -1.7583 | |
| 107 | L | A | 0.0000 | |
| 108 | G | A | -1.0417 | |
| 109 | L | A | -0.8746 | |
| 110 | S | A | -0.8116 | |
| 111 | L | A | -0.6867 | |
| 112 | T | A | -0.8225 | |
| 113 | E | A | -2.2771 | |
| 114 | P | A | -2.3412 | |
| 115 | L | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | E | A | -2.8547 | |
| 118 | Q | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | G | A | -1.8137 | |
| 121 | T | A | -2.3882 | |
| 122 | E | A | -3.4399 | |
| 123 | E | A | -3.6973 | |
| 124 | F | A | 0.0000 | |
| 125 | I | A | -2.7799 | |
| 126 | K | A | -4.0538 | |
| 127 | R | A | -3.6451 | |
| 128 | F | A | -1.9326 | |
| 129 | G | A | 0.0000 | |
| 130 | D | A | -2.3273 | |
| 131 | G | A | -1.6804 | |
| 132 | A | A | 0.0000 | |
| 133 | S | A | -0.9056 | |
| 134 | R | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | P | A | -0.7843 | |
| 141 | F | A | -0.5232 | |
| 142 | A | A | -1.1594 | |
| 143 | E | A | -2.3065 | |
| 144 | G | A | -1.2750 | |
| 145 | S | A | -0.8651 | |
| 146 | S | A | -0.7445 | |
| 147 | S | A | 0.0000 | |
| 148 | V | A | -0.2273 | |
| 149 | E | A | -0.2686 | |
| 150 | Y | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | N | A | 0.0000 | |
| 153 | N | A | -1.5562 | |
| 154 | W | A | -2.2381 | |
| 155 | E | A | -3.0462 | |
| 156 | Q | A | -1.8383 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -2.7962 | |
| 159 | A | A | -1.3580 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | -1.3844 | |
| 162 | V | A | -1.3886 | |
| 163 | E | A | -2.2629 | |
| 164 | L | A | -0.9343 | |
| 165 | E | A | -0.8594 | |
| 166 | I | A | -0.5210 | |
| 167 | N | A | -1.0227 | |
| 168 | F | A | 0.0000 | |
| 169 | E | A | -2.8975 | |
| 170 | T | A | -1.5418 | |
| 171 | R | A | -1.9752 | |
| 172 | G | A | -2.2422 | |
| 173 | K | A | -3.2681 | |
| 174 | R | A | -3.3579 | |
| 175 | G | A | -1.8640 | |
| 176 | Q | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | M | A | 0.0000 | |
| 180 | Y | A | -0.3241 | |
| 181 | E | A | -1.1533 | |
| 182 | Y | A | -0.3439 | |
| 183 | M | A | -0.4094 | |
| 184 | A | A | 0.0000 | |
| 185 | Q | A | -0.8398 | |
| 186 | A | A | -0.8086 | |
| 187 | C | A | -0.9971 | |
| 188 | A | A | -0.9444 | |
| 189 | G | A | -1.1629 | |
| 190 | N | A | -1.7822 | |
| 191 | R | A | -2.2199 | |
| 192 | V | A | -0.5713 | |
| 193 | R | A | -2.1547 | |
| 194 | R | A | -1.9168 | |
| 195 | S | A | -0.5128 | |
| 196 | V | A | 0.8165 | |
| 197 | G | A | 0.0475 | |
| 198 | S | A | -0.3319 | |
| 199 | S | A | -0.1209 | |
| 200 | L | A | -0.0509 | |
| 201 | S | A | -0.5621 | |
| 202 | C | A | -0.7913 | |
| 203 | I | A | 0.0000 | |
| 204 | N | A | -1.6125 | |
| 205 | L | A | 0.0000 | |
| 206 | D | A | -2.1046 | |
| 207 | W | A | 0.0000 | |
| 208 | D | A | -2.9334 | |
| 209 | V | A | -1.5257 | |
| 210 | I | A | 0.0000 | |
| 211 | R | A | 0.0000 | |
| 212 | D | A | -2.4857 | |
| 213 | K | A | -1.9666 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | -1.6448 | |
| 216 | T | A | -1.7314 | |
| 217 | K | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | E | A | -2.8142 | |
| 220 | S | A | -2.1343 | |
| 221 | L | A | 0.0000 | |
| 222 | K | A | -2.9426 | |
| 223 | E | A | -3.3192 | |
| 224 | H | A | -2.4746 | |
| 225 | G | A | -2.0527 | |
| 226 | P | A | -2.0110 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -3.3920 | |
| 229 | N | A | -2.7984 | |
| 230 | K | A | -2.3024 | |
| 231 | M | A | -1.9501 | |
| 232 | S | A | -2.1460 | |
| 233 | E | A | -2.6618 | |
| 234 | S | A | -1.8331 | |
| 235 | P | A | -1.8071 | |
| 236 | N | A | -2.3616 | |
| 237 | K | A | -2.2872 | |
| 238 | T | A | -1.5788 | |
| 239 | V | A | -1.4644 | |
| 240 | S | A | -1.7693 | |
| 241 | E | A | -3.0162 | |
| 242 | E | A | -3.7281 | |
| 243 | K | A | -3.5178 | |
| 244 | A | A | 0.0000 | |
| 245 | K | A | -3.3131 | |
| 246 | Q | A | -3.4583 | |
| 247 | Y | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | E | A | -2.8090 | |
| 250 | E | A | -2.8604 | |
| 251 | F | A | 0.0000 | |
| 252 | H | A | 0.0000 | |
| 253 | Q | A | -2.4436 | |
| 254 | T | A | -2.0071 | |
| 255 | A | A | 0.0000 | |
| 256 | L | A | -1.8579 | |
| 257 | E | A | -2.4132 | |
| 258 | H | A | 0.0000 | |
| 259 | P | A | -1.3927 | |
| 260 | E | A | -1.6254 | |
| 261 | L | A | 0.0000 | |
| 262 | S | A | -1.7590 | |
| 263 | E | A | -1.8825 | |
| 264 | L | A | 0.0000 | |
| 265 | K | A | -1.9796 | |
| 266 | T | A | -1.0267 | |
| 267 | V | A | -0.7445 | |
| 268 | T | A | 0.0000 | |
| 269 | G | A | -0.9009 | |
| 270 | T | A | -0.4716 | |
| 271 | N | A | -0.5198 | |
| 272 | P | A | -0.3118 | |
| 273 | V | A | -0.1428 | |
| 274 | F | A | 0.0000 | |
| 275 | A | A | -0.6002 | |
| 276 | G | A | -1.2495 | |
| 277 | A | A | -1.1787 | |
| 278 | N | A | -0.7374 | |
| 279 | Y | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | A | A | -1.1446 | |
| 282 | W | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -0.6992 | |
| 286 | V | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | Q | A | -1.5124 | |
| 289 | V | A | -0.8509 | |
| 290 | I | A | 0.0000 | |
| 291 | D | A | -2.6598 | |
| 292 | S | A | -2.3906 | |
| 293 | E | A | -3.0568 | |
| 294 | T | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | D | A | -2.9697 | |
| 297 | N | A | -2.0099 | |
| 298 | L | A | -0.5476 | |
| 299 | E | A | -0.9837 | |
| 300 | K | A | -1.3024 | |
| 301 | T | A | 0.0000 | |
| 302 | T | A | 0.0000 | |
| 303 | A | A | -0.0684 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | S | A | 0.1154 | |
| 307 | I | A | 0.0792 | |
| 308 | L | A | 0.0000 | |
| 309 | P | A | -0.4777 | |
| 310 | G | A | -0.3285 | |
| 311 | I | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | M | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | D | A | -2.4803 | |
| 320 | G | A | -1.6525 | |
| 321 | A | A | -0.9966 | |
| 322 | V | A | 0.0000 | |
| 323 | H | A | -0.9376 | |
| 324 | H | A | 0.0000 | |
| 325 | N | A | -1.1500 | |
| 326 | T | A | -1.1105 | |
| 327 | E | A | -1.4003 | |
| 328 | E | A | -1.1447 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | S | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | M | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | A | A | 0.0563 | |
| 343 | Q | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | P | A | -1.0709 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | -1.3848 | |
| 349 | G | A | -1.3261 | |
| 350 | E | A | -2.0905 | |
| 351 | L | A | 0.0000 | |
| 352 | V | A | 0.4481 | |
| 353 | D | A | -1.0804 | |
| 354 | I | A | 0.5981 | |
| 355 | G | A | 0.2467 | |
| 356 | F | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | A | A | 0.6196 | |
| 359 | Y | A | 1.0529 | |
| 360 | N | A | -0.0807 | |
| 361 | F | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | E | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | L | A | 0.2823 | |
| 369 | F | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | V | A | 0.4850 | |
| 372 | V | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | N | A | -0.2985 | |
| 375 | S | A | -0.2068 | |
| 376 | Y | A | 0.0042 | |
| 377 | N | A | 0.0000 | |
| 378 | R | A | -0.6059 | |
| 379 | P | A | -0.2872 | |
| 380 | A | A | 0.2321 | |
| 381 | Y | A | 0.6833 | |
| 382 | S | A | -0.2825 | |
| 383 | P | A | -0.9238 | |
| 384 | G | A | -1.3872 | |
| 385 | H | A | -1.9665 | |
| 386 | K | A | -2.3649 | |
| 387 | T | A | -1.1841 | |
| 388 | A | A | -0.7088 | |
| 389 | A | A | -0.2653 | |
| 390 | A | A | -0.2334 | |
| 391 | G | A | -0.7481 | |
| 392 | G | A | -1.0090 | |
| 393 | G | A | -1.0732 | |
| 394 | G | A | -1.0530 | |
| 395 | S | A | -0.8747 | |
| 396 | G | A | -0.9991 | |
| 397 | G | A | -1.1145 | |
| 398 | G | A | -1.0681 | |
| 399 | G | A | -1.0437 | |
| 400 | S | A | -0.9318 | |
| 401 | G | A | -1.2610 | |
| 402 | G | A | -1.4917 | |
| 403 | G | A | -1.9135 | |
| 404 | G | A | -1.7879 | |
| 405 | S | A | -1.0301 | |
| 406 | M | A | -0.4825 | |
| 407 | A | A | -0.3892 | |
| 408 | Q | A | -0.7208 | |
| 409 | V | A | 0.0000 | |
| 410 | Q | A | -0.8732 | |
| 411 | L | A | 0.0000 | |
| 412 | V | A | 0.7879 | |
| 413 | E | A | 0.0000 | |
| 414 | S | A | -0.3604 | |
| 415 | G | A | -1.0243 | |
| 416 | G | A | -0.4340 | |
| 417 | G | A | 0.2646 | |
| 418 | V | A | 1.3361 | |
| 419 | V | A | 0.0000 | |
| 420 | Q | A | -1.8795 | |
| 421 | P | A | -2.1445 | |
| 422 | G | A | -2.2213 | |
| 423 | R | A | -2.7688 | |
| 424 | S | A | -2.2101 | |
| 425 | L | A | -1.4702 | |
| 426 | R | A | -2.1720 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -0.4200 | |
| 429 | C | A | 0.0000 | |
| 430 | S | A | -0.3551 | |
| 431 | S | A | 0.0000 | |
| 432 | S | A | -0.6755 | |
| 433 | G | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | I | A | 0.1141 | |
| 436 | F | A | 0.0000 | |
| 437 | S | A | -1.0059 | |
| 438 | D | A | -0.7438 | |
| 439 | N | A | 0.0000 | |
| 440 | Y | A | -0.0602 | |
| 441 | M | A | 0.0000 | |
| 442 | Y | A | 0.0000 | |
| 443 | W | A | 0.0000 | |
| 444 | V | A | 0.0000 | |
| 445 | R | A | 0.0000 | |
| 446 | Q | A | -0.7933 | |
| 447 | A | A | -1.2278 | |
| 448 | P | A | -1.1466 | |
| 449 | G | A | -1.4497 | |
| 450 | K | A | -2.4021 | |
| 451 | G | A | -1.6617 | |
| 452 | L | A | 0.0000 | |
| 453 | E | A | -1.1292 | |
| 454 | W | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | S | A | 0.0000 | |
| 460 | D | A | -0.8492 | |
| 461 | G | A | -0.8656 | |
| 462 | G | A | -0.7059 | |
| 463 | S | A | -0.5096 | |
| 464 | Y | A | -0.1436 | |
| 465 | T | A | -0.1058 | |
| 466 | Y | A | -0.3435 | |
| 467 | Y | A | -0.8850 | |
| 468 | P | A | -1.7821 | |
| 469 | D | A | -2.7606 | |
| 470 | S | A | -1.9064 | |
| 471 | V | A | 0.0000 | |
| 472 | K | A | -2.6154 | |
| 473 | G | A | -1.9755 | |
| 474 | R | A | -1.5908 | |
| 475 | F | A | 0.0000 | |
| 476 | T | A | -0.8787 | |
| 477 | I | A | 0.0000 | |
| 478 | S | A | -0.1714 | |
| 479 | R | A | 0.0000 | |
| 480 | D | A | -1.6482 | |
| 481 | N | A | -1.8221 | |
| 482 | S | A | -1.5988 | |
| 483 | K | A | -2.3638 | |
| 484 | N | A | -1.6781 | |
| 485 | T | A | -0.9191 | |
| 486 | L | A | 0.0000 | |
| 487 | F | A | -0.4248 | |
| 488 | L | A | 0.0000 | |
| 489 | Q | A | -1.3222 | |
| 490 | M | A | 0.0000 | |
| 491 | D | A | -2.1409 | |
| 492 | S | A | -1.8931 | |
| 493 | L | A | 0.0000 | |
| 494 | R | A | -2.5810 | |
| 495 | P | A | -1.9390 | |
| 496 | E | A | -2.5296 | |
| 497 | D | A | 0.0000 | |
| 498 | T | A | -0.7042 | |
| 499 | G | A | 0.0000 | |
| 500 | V | A | 0.2064 | |
| 501 | Y | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | C | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | R | A | 0.0000 | |
| 506 | G | A | 0.0000 | |
| 507 | Y | A | 0.1683 | |
| 508 | Y | A | -0.0758 | |
| 509 | R | A | -0.5366 | |
| 510 | Y | A | -0.0458 | |
| 511 | E | A | 0.0000 | |
| 512 | G | A | 0.0835 | |
| 513 | A | A | 0.0000 | |
| 514 | M | A | 0.0000 | |
| 515 | D | A | -0.2629 | |
| 516 | Y | A | -0.3097 | |
| 517 | W | A | -0.5106 | |
| 518 | G | A | 0.0000 | |
| 519 | Q | A | -1.3429 | |
| 520 | G | A | 0.0000 | |
| 521 | T | A | 0.0000 | |
| 522 | P | A | 0.0654 | |
| 523 | V | A | 0.0000 | |
| 524 | T | A | -0.0266 | |
| 525 | V | A | 0.0000 | |
| 526 | S | A | -0.9284 | |
| 527 | S | A | -1.3600 | |
| 528 | G | A | -1.1732 | |
| 529 | G | A | -1.1034 | |
| 530 | G | A | -1.1756 | |
| 531 | G | A | -1.1573 | |
| 532 | S | A | -0.9418 | |
| 533 | G | A | -1.1627 | |
| 534 | G | A | -1.3728 | |
| 535 | G | A | -1.4415 | |
| 536 | G | A | -1.3693 | |
| 537 | S | A | -1.2689 | |
| 538 | G | A | -1.2024 | |
| 539 | G | A | -1.8819 | |
| 540 | G | A | -1.6408 | |
| 541 | G | A | -1.9005 | |
| 542 | S | A | -1.7808 | |
| 543 | D | A | -2.7458 | |
| 544 | I | A | 0.0000 | |
| 545 | Q | A | -2.1871 | |
| 546 | L | A | 0.0000 | |
| 547 | T | A | -1.2116 | |
| 548 | Q | A | 0.0000 | |
| 549 | S | A | -0.7009 | |
| 550 | P | A | -0.5798 | |
| 551 | S | A | -0.8875 | |
| 552 | S | A | -1.0881 | |
| 553 | L | A | -0.8490 | |
| 554 | S | A | -1.2127 | |
| 555 | A | A | 0.0000 | |
| 556 | S | A | -0.9374 | |
| 557 | V | A | -0.0828 | |
| 558 | G | A | -0.9034 | |
| 559 | D | A | -1.7048 | |
| 560 | R | A | -2.3286 | |
| 561 | V | A | 0.0000 | |
| 562 | T | A | -0.5777 | |
| 563 | I | A | 0.0000 | |
| 564 | T | A | -0.7092 | |
| 565 | C | A | 0.0000 | |
| 566 | K | A | -2.1292 | |
| 567 | S | A | 0.0000 | |
| 568 | S | A | -1.9408 | |
| 569 | Q | A | -2.1012 | |
| 570 | S | A | -0.9355 | |
| 571 | V | A | 0.0000 | |
| 572 | L | A | -0.1598 | |
| 573 | Y | A | -0.4324 | |
| 574 | S | A | -0.8000 | |
| 575 | S | A | -0.9157 | |
| 576 | N | A | -1.6344 | |
| 577 | Q | A | -1.5746 | |
| 578 | K | A | -1.0400 | |
| 579 | N | A | 0.0000 | |
| 580 | Y | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | W | A | 0.0000 | |
| 584 | Y | A | 0.0000 | |
| 585 | Q | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | K | A | -1.9069 | |
| 588 | P | A | -1.2363 | |
| 589 | G | A | -1.7649 | |
| 590 | K | A | -2.7061 | |
| 591 | A | A | -1.7005 | |
| 592 | P | A | 0.0000 | |
| 593 | K | A | -1.6174 | |
| 594 | L | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | I | A | 0.0000 | |
| 597 | Y | A | 0.0000 | |
| 598 | W | A | -0.3093 | |
| 599 | A | A | 0.0000 | |
| 600 | S | A | -0.6126 | |
| 601 | T | A | -0.5011 | |
| 602 | R | A | -0.9254 | |
| 603 | E | A | 0.0000 | |
| 604 | S | A | -0.5988 | |
| 605 | G | A | -0.8238 | |
| 606 | V | A | -0.5349 | |
| 607 | P | A | -0.5315 | |
| 608 | S | A | -0.6120 | |
| 609 | R | A | -0.7556 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | -0.5289 | |
| 612 | G | A | -0.4722 | |
| 613 | S | A | -0.6841 | |
| 614 | G | A | -1.0649 | |
| 615 | S | A | -0.9267 | |
| 616 | G | A | -0.9127 | |
| 617 | T | A | -1.5470 | |
| 618 | D | A | -2.2755 | |
| 619 | F | A | 0.0000 | |
| 620 | T | A | -0.7249 | |
| 621 | F | A | 0.0000 | |
| 622 | T | A | -0.5654 | |
| 623 | I | A | 0.0000 | |
| 624 | S | A | -1.2686 | |
| 625 | S | A | -1.1687 | |
| 626 | L | A | 0.0000 | |
| 627 | Q | A | -0.7456 | |
| 628 | P | A | -0.9356 | |
| 629 | E | A | -1.6762 | |
| 630 | D | A | 0.0000 | |
| 631 | I | A | -0.6427 | |
| 632 | A | A | 0.0000 | |
| 633 | T | A | -1.0227 | |
| 634 | Y | A | 0.0000 | |
| 635 | Y | A | 0.0000 | |
| 636 | C | A | 0.0000 | |
| 637 | H | A | 0.0000 | |
| 638 | Q | A | 0.0000 | |
| 639 | Y | A | 0.0000 | |
| 640 | L | A | 0.1993 | |
| 641 | S | A | -0.3876 | |
| 642 | S | A | -0.6857 | |
| 643 | W | A | 0.0000 | |
| 644 | T | A | -0.8684 | |
| 645 | F | A | 0.0000 | |
| 646 | G | A | 0.0000 | |
| 647 | Q | A | -1.7901 | |
| 648 | G | A | 0.0000 | |
| 649 | T | A | 0.0000 | |
| 650 | K | A | -1.9164 | |
| 651 | L | A | 0.0000 | |
| 652 | E | A | -2.0567 | |
| 653 | I | A | -1.1042 | |
| 654 | K | A | -1.7341 |
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 | -0.6951 | 2.1421 | View | CSV | PDB |
| 4.5 | -0.7571 | 2.1421 | View | CSV | PDB |
| 5.0 | -0.8326 | 2.1421 | View | CSV | PDB |
| 5.5 | -0.9083 | 2.1421 | View | CSV | PDB |
| 6.0 | -0.9696 | 2.1421 | View | CSV | PDB |
| 6.5 | -1.0051 | 2.1421 | View | CSV | PDB |
| 7.0 | -1.0132 | 2.1421 | View | CSV | PDB |
| 7.5 | -1.0023 | 2.1421 | View | CSV | PDB |
| 8.0 | -0.9804 | 2.1421 | View | CSV | PDB |
| 8.5 | -0.9504 | 2.1421 | View | CSV | PDB |
| 9.0 | -0.912 | 2.1421 | 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