| Chain sequence(s) |
A: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ
D: ARPCIPKSFGYSSVVCVCNATYCDSFDFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ input PDB |
| Selected Chain(s) | A,D |
| 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 all 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ae62543d6ef8ca3/tmp/folded.pdb (00:15:10)
[INFO] Main: Simulation completed successfully. (00:20:13)
|
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 | A | A | -1.3858 | |
| 2 | R | A | -1.6211 | |
| 3 | P | A | -1.1134 | |
| 4 | C | A | -0.5701 | |
| 5 | I | A | 0.5041 | |
| 6 | P | A | -0.4479 | |
| 7 | K | A | -0.8963 | |
| 8 | S | A | -0.3750 | |
| 9 | F | A | 0.3355 | |
| 10 | G | A | -0.1076 | |
| 11 | Y | A | 0.1269 | |
| 12 | S | A | -0.3998 | |
| 13 | S | A | 0.0000 | |
| 14 | V | A | -0.3917 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.0955 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.8197 | |
| 20 | A | A | -0.6340 | |
| 21 | T | A | -0.1170 | |
| 22 | Y | A | -0.0878 | |
| 23 | C | A | 0.0000 | |
| 24 | D | A | -0.5451 | |
| 25 | S | A | -1.3458 | |
| 26 | F | A | -1.7294 | |
| 27 | D | A | -2.4138 | |
| 28 | P | A | -1.4087 | |
| 29 | P | A | -0.5988 | |
| 30 | T | A | 0.4176 | |
| 31 | F | A | 1.9138 | |
| 32 | P | A | 1.1610 | |
| 33 | A | A | 0.8227 | |
| 34 | L | A | 0.8004 | |
| 35 | G | A | 0.0358 | |
| 36 | T | A | 0.3871 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.0967 | |
| 40 | Y | A | -0.5017 | |
| 41 | E | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | R | A | -1.3508 | |
| 45 | S | A | -1.0679 | |
| 46 | G | A | -1.5490 | |
| 47 | R | A | -2.5895 | |
| 48 | R | A | -1.7503 | |
| 49 | M | A | 0.0000 | |
| 50 | E | A | -2.0354 | |
| 51 | L | A | -0.3180 | |
| 52 | S | A | 0.0870 | |
| 53 | M | A | 0.6934 | |
| 54 | G | A | -0.0828 | |
| 55 | P | A | -0.2795 | |
| 56 | I | A | -0.4358 | |
| 57 | Q | A | -1.3892 | |
| 58 | A | A | -1.0104 | |
| 59 | N | A | -1.6421 | |
| 60 | H | A | -1.2838 | |
| 61 | T | A | -0.7772 | |
| 62 | G | A | -0.6992 | |
| 63 | T | A | -0.6275 | |
| 64 | G | A | -0.7369 | |
| 65 | L | A | 0.0000 | |
| 66 | L | A | -0.0697 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.3340 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.2025 | |
| 71 | P | A | 0.0000 | |
| 72 | E | A | -2.7262 | |
| 73 | Q | A | -2.4366 | |
| 74 | K | A | -2.6083 | |
| 75 | F | A | -0.8432 | |
| 76 | Q | A | -0.9877 | |
| 77 | K | A | -2.1930 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -0.9500 | |
| 80 | G | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | L | A | 0.4836 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.4160 | |
| 95 | A | A | 0.4894 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.2441 | |
| 98 | P | A | -0.4337 | |
| 99 | P | A | -0.5400 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | N | A | -0.6879 | |
| 103 | L | A | -0.3986 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.1706 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -2.4480 | |
| 112 | E | A | -2.1662 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | N | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.4373 | |
| 131 | R | A | -0.5734 | |
| 132 | T | A | -0.2994 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | D | A | -2.3448 | |
| 138 | T | A | -1.8123 | |
| 139 | P | A | -1.7292 | |
| 140 | D | A | -2.2216 | |
| 141 | D | A | -2.0483 | |
| 142 | F | A | -0.9060 | |
| 143 | Q | A | -1.8566 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -1.9277 | |
| 146 | N | A | -2.1927 | |
| 147 | F | A | -1.3609 | |
| 148 | S | A | -0.9294 | |
| 149 | L | A | -0.5908 | |
| 150 | P | A | -0.8950 | |
| 151 | E | A | -1.9648 | |
| 152 | E | A | 0.0000 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.3446 | |
| 155 | K | A | -2.0241 | |
| 156 | L | A | -0.7860 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.7283 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -1.0549 | |
| 163 | R | A | -0.9999 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.3810 | |
| 166 | Q | A | -1.2505 | |
| 167 | L | A | -1.0009 | |
| 168 | A | A | -1.1754 | |
| 169 | Q | A | -1.8497 | |
| 170 | R | A | -1.0719 | |
| 171 | P | A | -0.6200 | |
| 172 | V | A | -0.1469 | |
| 173 | S | A | -0.0967 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.0000 | |
| 183 | T | A | -0.8097 | |
| 184 | W | A | -0.9601 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -0.9345 | |
| 188 | N | A | -1.1564 | |
| 189 | G | A | -0.7879 | |
| 190 | A | A | -0.5411 | |
| 191 | V | A | -0.1981 | |
| 192 | N | A | -0.6104 | |
| 193 | G | A | -0.8516 | |
| 194 | K | A | -1.3099 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -0.7959 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.1087 | |
| 199 | G | A | -1.2472 | |
| 200 | Q | A | -1.7654 | |
| 201 | P | A | -1.3160 | |
| 202 | G | A | -1.0499 | |
| 203 | D | A | -0.5627 | |
| 204 | I | A | 0.9432 | |
| 205 | Y | A | 0.0664 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -0.3631 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.8372 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.7634 | |
| 215 | K | A | -0.8953 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -1.8968 | |
| 219 | A | A | -1.4372 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.3578 | |
| 222 | E | A | -2.8897 | |
| 223 | H | A | -2.3883 | |
| 224 | K | A | -2.8782 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.9199 | |
| 227 | F | A | 0.0000 | |
| 228 | W | A | -0.5182 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | E | A | -0.1975 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | -0.0997 | |
| 241 | L | A | -0.2128 | |
| 242 | S | A | -0.6052 | |
| 243 | G | A | -0.6683 | |
| 244 | Y | A | -0.2734 | |
| 245 | P | A | -0.2113 | |
| 246 | F | A | 0.2081 | |
| 247 | Q | A | 0.0000 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.4545 | |
| 253 | P | A | -0.8567 | |
| 254 | E | A | -1.3526 | |
| 255 | H | A | -1.0972 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.4851 | |
| 258 | D | A | -1.6363 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -1.6611 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.8711 | |
| 267 | T | A | -0.8799 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.2059 | |
| 270 | N | A | -1.5322 | |
| 271 | S | A | -1.2573 | |
| 272 | T | A | -0.9736 | |
| 273 | H | A | -1.5264 | |
| 274 | H | A | -2.0123 | |
| 275 | N | A | -1.9013 | |
| 276 | V | A | -1.3729 | |
| 277 | R | A | -1.3655 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | Q | A | -0.0505 | |
| 285 | R | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.6935 | |
| 290 | H | A | -0.7827 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -0.8162 | |
| 294 | V | A | -0.6667 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | T | A | -0.7026 | |
| 298 | D | A | -1.5879 | |
| 299 | P | A | -1.8136 | |
| 300 | E | A | -2.7478 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.6505 | |
| 303 | K | A | -2.2987 | |
| 304 | Y | A | -1.2881 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.0715 | |
| 307 | G | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | W | A | 0.2902 | |
| 313 | Y | A | 0.3731 | |
| 314 | L | A | 0.4775 | |
| 315 | D | A | 0.3601 | |
| 316 | F | A | 1.3875 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | -0.5469 | |
| 320 | A | A | -0.6963 | |
| 321 | K | A | -1.9405 | |
| 322 | A | A | -1.0367 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.3694 | |
| 326 | E | A | -1.5361 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.5417 | |
| 329 | R | A | -2.2624 | |
| 330 | L | A | -0.8739 | |
| 331 | F | A | -0.8505 | |
| 332 | P | A | -1.3443 | |
| 333 | N | A | -1.5499 | |
| 334 | T | A | 0.0000 | |
| 335 | M | A | -0.6233 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | -0.3830 | |
| 346 | K | A | -0.5594 | |
| 347 | F | A | -0.6818 | |
| 348 | W | A | -0.4755 | |
| 349 | E | A | -0.6692 | |
| 350 | Q | A | -1.1720 | |
| 351 | S | A | -1.0159 | |
| 352 | V | A | 0.0000 | |
| 353 | R | A | -1.2744 | |
| 354 | L | A | -0.2129 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | D | A | -1.4822 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | -0.8140 | |
| 362 | Q | A | -0.8768 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.6443 | |
| 366 | S | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.0403 | |
| 370 | N | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.7587 | |
| 373 | Y | A | 0.2670 | |
| 374 | H | A | -0.1382 | |
| 375 | V | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | W | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -0.6577 | |
| 387 | P | A | -1.1362 | |
| 388 | E | A | -2.3113 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.4042 | |
| 392 | N | A | -0.5034 | |
| 393 | W | A | -0.0166 | |
| 394 | V | A | -0.3346 | |
| 395 | R | A | -1.8014 | |
| 396 | N | A | -0.8754 | |
| 397 | F | A | -0.9202 | |
| 398 | V | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | D | A | -0.6669 | |
| 406 | I | A | 0.2660 | |
| 407 | T | A | -0.5365 | |
| 408 | K | A | -1.7145 | |
| 409 | D | A | -1.1074 | |
| 410 | T | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | Y | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | Q | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | H | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | K | A | -0.5278 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -0.8136 | |
| 429 | E | A | -1.3034 | |
| 430 | G | A | -1.4449 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.5194 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.7857 | |
| 437 | V | A | 1.3163 | |
| 438 | A | A | 0.1197 | |
| 439 | S | A | -0.6155 | |
| 440 | Q | A | -1.6325 | |
| 441 | K | A | -2.5877 | |
| 442 | N | A | -2.1237 | |
| 443 | D | A | -2.5513 | |
| 444 | L | A | -1.3008 | |
| 445 | D | A | -0.7201 | |
| 446 | A | A | 0.0048 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | 0.0000 | |
| 451 | H | A | -1.3182 | |
| 452 | P | A | -1.6264 | |
| 453 | D | A | -2.1432 | |
| 454 | G | A | -1.5375 | |
| 455 | S | A | -0.9804 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | N | A | 0.0000 | |
| 463 | R | A | -1.6110 | |
| 464 | S | A | -1.5525 | |
| 465 | S | A | -1.4108 | |
| 466 | K | A | -2.6370 | |
| 467 | D | A | -1.6862 | |
| 468 | V | A | -0.9392 | |
| 469 | P | A | -0.3158 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.5366 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3064 | |
| 476 | A | A | -0.2766 | |
| 477 | V | A | -0.1415 | |
| 478 | G | A | -0.6719 | |
| 479 | F | A | -0.7648 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -0.7082 | |
| 482 | T | A | 0.1174 | |
| 483 | I | A | 0.5951 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -0.8375 | |
| 486 | G | A | -1.3537 | |
| 487 | Y | A | -0.9881 | |
| 488 | S | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | H | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.3500 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | -0.2976 | |
| 496 | R | A | -0.9905 | |
| 497 | Q | A | -1.2190 | |
| 1 | A | D | -1.5110 | |
| 2 | R | D | -1.6770 | |
| 3 | P | D | -1.0860 | |
| 4 | C | D | -0.4581 | |
| 5 | I | D | 0.7215 | |
| 6 | P | D | -0.3569 | |
| 7 | K | D | -0.7599 | |
| 8 | S | D | -0.3831 | |
| 9 | F | D | 0.2347 | |
| 10 | G | D | -0.1168 | |
| 11 | Y | D | 0.3166 | |
| 12 | S | D | -0.2522 | |
| 13 | S | D | 0.0000 | |
| 14 | V | D | -0.3517 | |
| 15 | V | D | 0.0000 | |
| 16 | C | D | 0.0000 | |
| 17 | V | D | 0.2217 | |
| 18 | C | D | 0.0000 | |
| 19 | N | D | -0.8989 | |
| 20 | A | D | -0.6585 | |
| 21 | T | D | -0.1267 | |
| 22 | Y | D | -0.0475 | |
| 23 | C | D | 0.0000 | |
| 24 | D | D | -0.6001 | |
| 25 | S | D | -1.5129 | |
| 26 | F | D | -1.9131 | |
| 27 | D | D | -2.3174 | |
| 31 | F | D | 2.0399 | |
| 32 | P | D | 1.2480 | |
| 33 | A | D | 0.7843 | |
| 34 | L | D | 0.9950 | |
| 35 | G | D | 0.1579 | |
| 36 | T | D | 0.5646 | |
| 37 | F | D | 0.0000 | |
| 38 | S | D | 0.0000 | |
| 39 | R | D | -0.2369 | |
| 40 | Y | D | -0.7272 | |
| 41 | E | D | -1.3111 | |
| 42 | S | D | 0.0000 | |
| 43 | T | D | 0.0000 | |
| 44 | R | D | -1.3865 | |
| 45 | S | D | -1.1313 | |
| 46 | G | D | -1.3816 | |
| 47 | R | D | -2.7047 | |
| 48 | R | D | -1.8560 | |
| 49 | M | D | 0.0000 | |
| 50 | E | D | -2.2474 | |
| 51 | L | D | -0.7583 | |
| 52 | S | D | -0.0113 | |
| 53 | M | D | 0.7256 | |
| 54 | G | D | -0.0527 | |
| 55 | P | D | -0.2535 | |
| 56 | I | D | -0.3957 | |
| 57 | Q | D | -1.2329 | |
| 58 | A | D | -0.9234 | |
| 59 | N | D | -1.6549 | |
| 60 | H | D | -1.2162 | |
| 61 | T | D | -0.7493 | |
| 62 | G | D | -0.6883 | |
| 63 | T | D | -0.6574 | |
| 64 | G | D | -0.7993 | |
| 65 | L | D | 0.0000 | |
| 66 | L | D | -0.1882 | |
| 67 | L | D | 0.0000 | |
| 68 | T | D | 0.2712 | |
| 69 | L | D | 0.0000 | |
| 70 | Q | D | -1.1623 | |
| 71 | P | D | 0.0000 | |
| 72 | E | D | -2.6599 | |
| 73 | Q | D | -2.3129 | |
| 74 | K | D | -2.2638 | |
| 75 | F | D | -0.7594 | |
| 76 | Q | D | -0.8719 | |
| 77 | K | D | -2.0842 | |
| 78 | V | D | 0.0000 | |
| 79 | K | D | -0.8654 | |
| 80 | G | D | 0.0000 | |
| 81 | F | D | 0.0000 | |
| 82 | G | D | 0.0000 | |
| 83 | G | D | 0.0000 | |
| 84 | A | D | 0.0000 | |
| 85 | M | D | 0.0000 | |
| 86 | T | D | 0.0000 | |
| 87 | D | D | 0.0000 | |
| 88 | A | D | 0.0000 | |
| 89 | A | D | 0.0000 | |
| 90 | A | D | 0.0000 | |
| 91 | L | D | 0.6671 | |
| 92 | N | D | 0.0000 | |
| 93 | I | D | 0.0000 | |
| 94 | L | D | 0.5466 | |
| 95 | A | D | 0.6043 | |
| 96 | L | D | 0.0000 | |
| 97 | S | D | -0.1919 | |
| 98 | P | D | -0.3646 | |
| 99 | P | D | -0.5248 | |
| 100 | A | D | 0.0000 | |
| 101 | Q | D | 0.0000 | |
| 102 | N | D | -0.6919 | |
| 103 | L | D | -0.4863 | |
| 104 | L | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | K | D | -1.2573 | |
| 107 | S | D | 0.0000 | |
| 108 | Y | D | 0.0000 | |
| 109 | F | D | 0.0000 | |
| 110 | S | D | 0.0000 | |
| 111 | E | D | -2.0098 | |
| 112 | E | D | -2.4899 | |
| 113 | G | D | 0.0000 | |
| 114 | I | D | 0.0000 | |
| 115 | G | D | 0.0000 | |
| 116 | Y | D | 0.0000 | |
| 117 | N | D | 0.0000 | |
| 118 | I | D | 0.0000 | |
| 119 | I | D | 0.0000 | |
| 120 | R | D | 0.0000 | |
| 121 | V | D | 0.0000 | |
| 122 | P | D | 0.0000 | |
| 123 | M | D | 0.0000 | |
| 124 | A | D | 0.0000 | |
| 125 | S | D | 0.0000 | |
| 126 | C | D | 0.0000 | |
| 127 | D | D | 0.0000 | |
| 128 | F | D | 0.0000 | |
| 129 | S | D | 0.0000 | |
| 130 | I | D | 1.0604 | |
| 131 | R | D | -0.1209 | |
| 132 | T | D | -0.1126 | |
| 133 | Y | D | 0.0000 | |
| 134 | T | D | 0.0000 | |
| 135 | Y | D | 0.0000 | |
| 136 | A | D | 0.0000 | |
| 137 | D | D | -2.3226 | |
| 138 | T | D | -1.8053 | |
| 139 | P | D | -1.7764 | |
| 140 | D | D | -2.2878 | |
| 141 | D | D | -2.1319 | |
| 142 | F | D | -1.0970 | |
| 143 | Q | D | -1.8395 | |
| 144 | L | D | 0.0000 | |
| 145 | H | D | -2.0006 | |
| 146 | N | D | -2.1941 | |
| 147 | F | D | -1.3428 | |
| 148 | S | D | -0.7770 | |
| 149 | L | D | -0.6503 | |
| 150 | P | D | -1.1328 | |
| 151 | E | D | -2.4085 | |
| 152 | E | D | 0.0000 | |
| 153 | D | D | 0.0000 | |
| 154 | T | D | -1.5487 | |
| 155 | K | D | -2.3208 | |
| 156 | L | D | 0.0000 | |
| 157 | K | D | 0.0000 | |
| 158 | I | D | 0.0000 | |
| 159 | P | D | -0.8611 | |
| 160 | L | D | 0.0000 | |
| 161 | I | D | 0.0000 | |
| 162 | H | D | -1.0848 | |
| 163 | R | D | -1.0499 | |
| 164 | A | D | 0.0000 | |
| 165 | L | D | -0.4874 | |
| 166 | Q | D | -1.3442 | |
| 167 | L | D | -1.1296 | |
| 168 | A | D | -1.1802 | |
| 169 | Q | D | -1.5448 | |
| 170 | R | D | -1.0023 | |
| 171 | P | D | -0.5534 | |
| 172 | V | D | -0.1780 | |
| 173 | S | D | -0.0965 | |
| 174 | L | D | 0.0000 | |
| 175 | L | D | 0.0000 | |
| 176 | A | D | 0.0000 | |
| 177 | S | D | 0.0000 | |
| 178 | P | D | 0.0000 | |
| 179 | W | D | 0.0000 | |
| 180 | T | D | 0.0000 | |
| 181 | S | D | 0.0000 | |
| 182 | P | D | 0.0000 | |
| 183 | T | D | -0.8918 | |
| 184 | W | D | -1.0129 | |
| 185 | L | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | T | D | -1.1896 | |
| 188 | N | D | -1.3272 | |
| 189 | G | D | -0.8339 | |
| 190 | A | D | -0.5704 | |
| 191 | V | D | -0.2262 | |
| 192 | N | D | -0.8063 | |
| 193 | G | D | -1.2276 | |
| 194 | K | D | -1.7942 | |
| 195 | G | D | 0.0000 | |
| 196 | S | D | -0.9770 | |
| 197 | L | D | 0.0000 | |
| 198 | K | D | -1.5577 | |
| 199 | G | D | -1.4328 | |
| 200 | Q | D | -1.8979 | |
| 201 | P | D | -1.4744 | |
| 202 | G | D | -1.0924 | |
| 203 | D | D | -0.5943 | |
| 204 | I | D | 0.8362 | |
| 205 | Y | D | -0.1982 | |
| 206 | H | D | 0.0000 | |
| 207 | Q | D | -0.9170 | |
| 208 | T | D | 0.0000 | |
| 209 | W | D | 0.0000 | |
| 210 | A | D | 0.0000 | |
| 211 | R | D | -1.0285 | |
| 212 | Y | D | 0.0000 | |
| 213 | F | D | 0.0000 | |
| 214 | V | D | -0.7278 | |
| 215 | K | D | -0.9490 | |
| 216 | F | D | 0.0000 | |
| 217 | L | D | 0.0000 | |
| 218 | D | D | -1.8158 | |
| 219 | A | D | -1.4980 | |
| 220 | Y | D | 0.0000 | |
| 221 | A | D | -2.3176 | |
| 222 | E | D | -2.8649 | |
| 223 | H | D | -2.3409 | |
| 224 | K | D | -2.8621 | |
| 225 | L | D | 0.0000 | |
| 226 | Q | D | -1.9224 | |
| 227 | F | D | 0.0000 | |
| 228 | W | D | -0.5624 | |
| 229 | A | D | 0.0000 | |
| 230 | V | D | 0.0000 | |
| 231 | T | D | 0.0000 | |
| 232 | A | D | 0.0000 | |
| 233 | E | D | 0.0000 | |
| 234 | N | D | 0.0000 | |
| 235 | E | D | 0.0000 | |
| 236 | P | D | 0.0000 | |
| 237 | S | D | 0.0374 | |
| 238 | A | D | 0.0000 | |
| 239 | G | D | 0.0000 | |
| 240 | L | D | -0.0734 | |
| 241 | L | D | -0.1740 | |
| 242 | S | D | -0.9617 | |
| 243 | G | D | -0.9597 | |
| 244 | Y | D | 0.0000 | |
| 245 | P | D | -0.3161 | |
| 246 | F | D | 0.0000 | |
| 247 | Q | D | 0.0000 | |
| 248 | C | D | 0.0000 | |
| 249 | L | D | 0.0000 | |
| 250 | G | D | 0.0000 | |
| 251 | F | D | 0.0000 | |
| 252 | T | D | -0.4040 | |
| 253 | P | D | 0.0000 | |
| 254 | E | D | -1.3733 | |
| 255 | H | D | -1.0697 | |
| 256 | Q | D | 0.0000 | |
| 257 | R | D | -1.4521 | |
| 258 | D | D | -1.7202 | |
| 259 | F | D | 0.0000 | |
| 260 | I | D | 0.0000 | |
| 261 | A | D | -1.8982 | |
| 262 | R | D | -2.2479 | |
| 263 | D | D | 0.0000 | |
| 264 | L | D | 0.0000 | |
| 265 | G | D | 0.0000 | |
| 266 | P | D | -1.2758 | |
| 267 | T | D | -1.0478 | |
| 268 | L | D | 0.0000 | |
| 269 | A | D | -1.3137 | |
| 270 | N | D | -1.5188 | |
| 271 | S | D | -1.2545 | |
| 272 | T | D | -0.9519 | |
| 273 | H | D | 0.0000 | |
| 274 | H | D | -2.0591 | |
| 275 | N | D | -1.9700 | |
| 276 | V | D | 0.0000 | |
| 277 | R | D | -1.5127 | |
| 278 | L | D | 0.0000 | |
| 279 | L | D | 0.0000 | |
| 280 | M | D | 0.0000 | |
| 281 | L | D | 0.0000 | |
| 282 | D | D | 0.0000 | |
| 283 | D | D | 0.0000 | |
| 284 | Q | D | 0.0000 | |
| 285 | R | D | 0.0000 | |
| 286 | L | D | 0.0000 | |
| 287 | L | D | 0.1452 | |
| 288 | L | D | 0.0000 | |
| 289 | P | D | -0.8951 | |
| 290 | H | D | -1.2524 | |
| 291 | W | D | 0.0000 | |
| 292 | A | D | 0.0000 | |
| 293 | K | D | -1.0350 | |
| 294 | V | D | -0.8709 | |
| 295 | V | D | 0.0000 | |
| 296 | L | D | -0.6904 | |
| 297 | T | D | -0.6867 | |
| 298 | D | D | -1.5700 | |
| 299 | P | D | -1.7528 | |
| 300 | E | D | -2.8449 | |
| 301 | A | D | 0.0000 | |
| 302 | A | D | -1.5954 | |
| 303 | K | D | -2.3413 | |
| 304 | Y | D | -1.2660 | |
| 305 | V | D | 0.0000 | |
| 306 | H | D | -1.2267 | |
| 307 | G | D | 0.0000 | |
| 308 | I | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | V | D | 0.0000 | |
| 311 | H | D | 0.0000 | |
| 312 | W | D | 0.0000 | |
| 313 | Y | D | 0.0414 | |
| 314 | L | D | 0.0000 | |
| 315 | D | D | -0.1090 | |
| 316 | F | D | 0.0000 | |
| 317 | L | D | 0.6831 | |
| 318 | A | D | 0.0255 | |
| 319 | P | D | -0.5259 | |
| 320 | A | D | -0.6751 | |
| 321 | K | D | -1.9495 | |
| 322 | A | D | -0.9475 | |
| 323 | T | D | 0.0000 | |
| 324 | L | D | 0.0000 | |
| 325 | G | D | -1.4593 | |
| 326 | E | D | -1.5834 | |
| 327 | T | D | 0.0000 | |
| 328 | H | D | -1.5036 | |
| 329 | R | D | -2.2217 | |
| 330 | L | D | -0.8315 | |
| 331 | F | D | -0.7802 | |
| 332 | P | D | -1.2807 | |
| 333 | N | D | -1.5191 | |
| 334 | T | D | -0.6249 | |
| 335 | M | D | -0.5017 | |
| 336 | L | D | 0.0000 | |
| 337 | F | D | 0.0000 | |
| 338 | A | D | 0.0000 | |
| 339 | S | D | 0.0000 | |
| 340 | E | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | C | D | 0.0000 | |
| 343 | V | D | 0.0000 | |
| 344 | G | D | 0.0000 | |
| 345 | S | D | -0.4706 | |
| 346 | K | D | -0.5002 | |
| 347 | F | D | 0.0000 | |
| 348 | W | D | -0.7685 | |
| 349 | E | D | -2.0590 | |
| 350 | Q | D | -1.4172 | |
| 351 | S | D | -1.1424 | |
| 352 | V | D | -0.6784 | |
| 353 | R | D | -0.6082 | |
| 354 | L | D | -0.0049 | |
| 355 | G | D | 0.0000 | |
| 356 | S | D | 0.0000 | |
| 357 | W | D | 0.0000 | |
| 358 | D | D | -0.6782 | |
| 359 | R | D | 0.0000 | |
| 360 | G | D | 0.0000 | |
| 361 | M | D | -0.5123 | |
| 362 | Q | D | -0.5917 | |
| 363 | Y | D | 0.0000 | |
| 364 | S | D | 0.0000 | |
| 365 | H | D | -0.6078 | |
| 366 | S | D | 0.0000 | |
| 367 | I | D | 0.0000 | |
| 368 | I | D | 0.0000 | |
| 369 | T | D | -0.0670 | |
| 370 | N | D | 0.0000 | |
| 371 | L | D | 0.0000 | |
| 372 | L | D | 0.5621 | |
| 373 | Y | D | 0.1219 | |
| 374 | H | D | -0.0195 | |
| 375 | V | D | 0.0000 | |
| 376 | V | D | -0.4056 | |
| 377 | G | D | 0.0000 | |
| 378 | W | D | 0.0000 | |
| 379 | T | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | W | D | 0.0000 | |
| 382 | N | D | 0.0000 | |
| 383 | L | D | 0.0000 | |
| 384 | A | D | 0.0000 | |
| 385 | L | D | 0.0000 | |
| 386 | N | D | -0.5539 | |
| 387 | P | D | -0.9746 | |
| 388 | E | D | -2.1838 | |
| 389 | G | D | 0.0000 | |
| 390 | G | D | 0.0000 | |
| 391 | P | D | -0.2794 | |
| 392 | N | D | 0.0000 | |
| 393 | W | D | 0.0699 | |
| 394 | V | D | -0.3568 | |
| 395 | R | D | -1.9776 | |
| 396 | N | D | -1.1139 | |
| 397 | F | D | -1.1087 | |
| 398 | V | D | -0.7611 | |
| 399 | D | D | 0.0000 | |
| 400 | S | D | 0.0000 | |
| 401 | P | D | 0.0000 | |
| 402 | I | D | 0.0000 | |
| 403 | I | D | 0.0000 | |
| 404 | V | D | 0.0000 | |
| 405 | D | D | -0.2331 | |
| 406 | I | D | 0.7463 | |
| 407 | T | D | -0.3375 | |
| 408 | K | D | -1.6204 | |
| 409 | D | D | -0.9506 | |
| 410 | T | D | 0.0000 | |
| 411 | F | D | 0.0000 | |
| 412 | Y | D | 0.0000 | |
| 413 | K | D | 0.0000 | |
| 414 | Q | D | 0.0000 | |
| 415 | P | D | 0.0000 | |
| 416 | M | D | 0.0000 | |
| 417 | F | D | 0.0000 | |
| 418 | Y | D | 0.0000 | |
| 419 | H | D | 0.0000 | |
| 420 | L | D | 0.0000 | |
| 421 | G | D | 0.0000 | |
| 422 | H | D | 0.0000 | |
| 423 | F | D | 0.0000 | |
| 424 | S | D | 0.0000 | |
| 425 | K | D | -0.4939 | |
| 426 | F | D | 0.0000 | |
| 427 | I | D | 0.0000 | |
| 428 | P | D | -0.8028 | |
| 429 | E | D | -1.2678 | |
| 430 | G | D | -1.4051 | |
| 431 | S | D | 0.0000 | |
| 432 | Q | D | -1.3142 | |
| 433 | R | D | 0.0000 | |
| 434 | V | D | 0.0000 | |
| 435 | G | D | 0.0000 | |
| 436 | L | D | 0.7512 | |
| 437 | V | D | 1.3125 | |
| 438 | A | D | 0.0384 | |
| 439 | S | D | -0.7163 | |
| 440 | Q | D | -1.8358 | |
| 441 | K | D | -2.6910 | |
| 442 | N | D | -2.2203 | |
| 443 | D | D | -2.7085 | |
| 444 | L | D | 0.0000 | |
| 445 | D | D | -0.8520 | |
| 446 | A | D | -0.0371 | |
| 447 | V | D | 0.0000 | |
| 448 | A | D | 0.0000 | |
| 449 | L | D | 0.0000 | |
| 450 | M | D | 0.0000 | |
| 451 | H | D | -1.2838 | |
| 452 | P | D | -1.6050 | |
| 453 | D | D | -2.2172 | |
| 454 | G | D | -1.4591 | |
| 455 | S | D | 0.0000 | |
| 456 | A | D | 0.0000 | |
| 457 | V | D | 0.0000 | |
| 458 | V | D | 0.0000 | |
| 459 | V | D | 0.0000 | |
| 460 | V | D | 0.0000 | |
| 461 | L | D | 0.0000 | |
| 462 | N | D | 0.0000 | |
| 463 | R | D | -1.7750 | |
| 464 | S | D | -1.7232 | |
| 465 | S | D | -1.6551 | |
| 466 | K | D | -2.6733 | |
| 467 | D | D | -1.6829 | |
| 468 | V | D | -0.9868 | |
| 469 | P | D | -0.3538 | |
| 470 | L | D | 0.0000 | |
| 471 | T | D | 0.0000 | |
| 472 | I | D | 0.0000 | |
| 473 | K | D | -0.6962 | |
| 474 | D | D | 0.0000 | |
| 475 | P | D | -0.3846 | |
| 476 | A | D | -0.3302 | |
| 477 | V | D | -0.0743 | |
| 478 | G | D | -0.6887 | |
| 479 | F | D | -0.7974 | |
| 480 | L | D | 0.0000 | |
| 481 | E | D | -1.1135 | |
| 482 | T | D | -0.0361 | |
| 483 | I | D | 0.5406 | |
| 484 | S | D | 0.0000 | |
| 485 | P | D | -0.8971 | |
| 486 | G | D | -1.4110 | |
| 487 | Y | D | -0.9791 | |
| 488 | S | D | 0.0000 | |
| 489 | I | D | 0.0000 | |
| 490 | H | D | 0.0000 | |
| 491 | T | D | 0.0000 | |
| 492 | Y | D | 0.0000 | |
| 493 | L | D | 0.0000 | |
| 494 | W | D | 0.0000 | |
| 495 | H | D | -0.2162 | |
| 496 | R | D | -0.8612 | |
| 497 | Q | D | -1.2441 |
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 | -0.3156 | 5.2079 | View | CSV | PDB |
| 4.5 | -0.3486 | 5.2089 | View | CSV | PDB |
| 5.0 | -0.3871 | 5.2118 | View | CSV | PDB |
| 5.5 | -0.4231 | 5.2185 | View | CSV | PDB |
| 6.0 | -0.4489 | 5.2299 | View | CSV | PDB |
| 6.5 | -0.459 | 5.2421 | View | CSV | PDB |
| 7.0 | -0.4541 | 5.2505 | View | CSV | PDB |
| 7.5 | -0.4398 | 5.2545 | View | CSV | PDB |
| 8.0 | -0.4207 | 5.256 | View | CSV | PDB |
| 8.5 | -0.3977 | 5.2565 | View | CSV | PDB |
| 9.0 | -0.3701 | 5.2566 | 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