| Chain sequence(s) |
A: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ
B: ARPCIPKSFGYSSVVCVCNATYCDSFDFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ input PDB |
| Selected Chain(s) | A,B |
| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fc7a7ec18bedde9/tmp/folded.pdb (00:10:35)
[INFO] Main: Simulation completed successfully. (00:19:56)
|
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 | -1.8449 | |
| 2 | R | A | -2.1938 | |
| 3 | P | A | -0.8069 | |
| 4 | C | A | -0.0445 | |
| 5 | I | A | 0.9883 | |
| 6 | P | A | 0.3933 | |
| 7 | K | A | -0.0210 | |
| 8 | S | A | 0.3098 | |
| 9 | F | A | 0.6716 | |
| 10 | G | A | 0.1423 | |
| 11 | Y | A | 0.5564 | |
| 12 | S | A | -0.2529 | |
| 13 | S | A | -0.1166 | |
| 14 | V | A | 0.8290 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.5417 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.6929 | |
| 20 | A | A | -0.3254 | |
| 21 | T | A | -0.0553 | |
| 22 | Y | A | 0.5338 | |
| 23 | C | A | 0.2484 | |
| 24 | D | A | 0.0000 | |
| 25 | S | A | -1.1675 | |
| 26 | F | A | 0.0000 | |
| 27 | D | A | -2.7301 | |
| 28 | P | A | -1.8060 | |
| 29 | P | A | -0.6442 | |
| 30 | T | A | 0.6161 | |
| 31 | F | A | 1.9541 | |
| 32 | P | A | 0.0000 | |
| 33 | A | A | 0.9160 | |
| 34 | L | A | 0.8410 | |
| 35 | G | A | -0.0399 | |
| 36 | T | A | -0.0899 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -1.2417 | |
| 40 | Y | A | 0.0000 | |
| 41 | E | A | -1.5951 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | -1.3663 | |
| 44 | R | A | -1.7278 | |
| 45 | S | A | -1.2287 | |
| 46 | G | A | -1.6929 | |
| 47 | R | A | -2.8897 | |
| 48 | R | A | -1.8081 | |
| 49 | M | A | 0.0000 | |
| 50 | E | A | -2.5044 | |
| 51 | L | A | -0.2400 | |
| 52 | S | A | -0.1471 | |
| 53 | M | A | 0.1648 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | -0.5077 | |
| 56 | I | A | -0.6645 | |
| 57 | Q | A | -1.7881 | |
| 58 | A | A | -1.0944 | |
| 59 | N | A | -1.6680 | |
| 60 | H | A | -1.4152 | |
| 61 | T | A | -0.5976 | |
| 62 | G | A | -0.7721 | |
| 63 | T | A | -0.2323 | |
| 64 | G | A | -0.3370 | |
| 65 | L | A | -0.4527 | |
| 66 | L | A | -0.1078 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.1928 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.1087 | |
| 71 | P | A | -1.7072 | |
| 72 | E | A | -2.7127 | |
| 73 | Q | A | -2.4265 | |
| 74 | K | A | -2.5576 | |
| 75 | F | A | -0.8076 | |
| 76 | Q | A | -1.0152 | |
| 77 | K | A | -2.1653 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -1.2223 | |
| 80 | G | A | -0.7709 | |
| 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 | 1.0172 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.9995 | |
| 95 | A | A | 0.6003 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.6040 | |
| 98 | P | A | -0.4942 | |
| 99 | P | A | -0.5209 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | -0.4957 | |
| 102 | N | A | -0.7154 | |
| 103 | L | A | -0.2718 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.0654 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -2.5429 | |
| 112 | E | A | -2.0004 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -0.9571 | |
| 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 | -0.0809 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -0.0435 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 1.4725 | |
| 131 | R | A | -0.4544 | |
| 132 | T | A | -0.2284 | |
| 133 | Y | A | -0.1088 | |
| 134 | T | A | -0.2590 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | -1.2612 | |
| 137 | D | A | -2.6401 | |
| 138 | T | A | -1.9127 | |
| 139 | P | A | -1.4700 | |
| 140 | D | A | -2.2093 | |
| 141 | D | A | -2.1230 | |
| 142 | F | A | -0.9226 | |
| 143 | Q | A | -1.8268 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -2.2343 | |
| 146 | N | A | -2.4483 | |
| 147 | F | A | -1.5614 | |
| 148 | S | A | -1.0335 | |
| 149 | L | A | -0.5146 | |
| 150 | P | A | -1.2469 | |
| 151 | E | A | -2.5273 | |
| 152 | E | A | -1.4470 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.5142 | |
| 155 | K | A | -2.2766 | |
| 156 | L | A | -0.8293 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.7243 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -1.0166 | |
| 163 | R | A | -1.2023 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.8015 | |
| 166 | Q | A | -1.4719 | |
| 167 | L | A | -1.0940 | |
| 168 | A | A | -1.4608 | |
| 169 | Q | A | -2.0056 | |
| 170 | R | A | -1.6233 | |
| 171 | P | A | -1.0348 | |
| 172 | V | A | 0.0000 | |
| 173 | S | A | -0.3460 | |
| 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 | -0.0731 | |
| 180 | T | A | -0.0823 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.3323 | |
| 183 | T | A | 0.1318 | |
| 184 | W | A | 0.2919 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.3050 | |
| 188 | N | A | -1.7750 | |
| 189 | G | A | -0.9097 | |
| 190 | A | A | -0.5334 | |
| 191 | V | A | 0.2350 | |
| 192 | N | A | -0.6194 | |
| 193 | G | A | -0.8721 | |
| 194 | K | A | -1.5736 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -0.8591 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.6788 | |
| 199 | G | A | -1.7645 | |
| 200 | Q | A | -2.1611 | |
| 201 | P | A | 0.0000 | |
| 202 | G | A | -1.9913 | |
| 203 | D | A | -2.1328 | |
| 204 | I | A | -0.5247 | |
| 205 | Y | A | -0.3091 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -1.1928 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.5485 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.3960 | |
| 215 | K | A | -1.0198 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.0822 | |
| 219 | A | A | -1.6237 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.3705 | |
| 222 | E | A | -2.9749 | |
| 223 | H | A | -2.4757 | |
| 224 | K | A | -2.8715 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.9182 | |
| 227 | F | A | 0.0000 | |
| 228 | W | A | -0.6539 | |
| 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 | -0.4114 | |
| 235 | E | A | -0.5165 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.0761 | |
| 238 | A | A | -0.1282 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | -0.0492 | |
| 241 | L | A | 0.0000 | |
| 242 | S | A | -1.2379 | |
| 243 | G | A | -1.0552 | |
| 244 | Y | A | -0.3491 | |
| 245 | P | A | 0.1452 | |
| 246 | F | A | 1.0875 | |
| 247 | Q | A | 0.0692 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.7274 | |
| 253 | P | A | -1.2030 | |
| 254 | E | A | -2.0958 | |
| 255 | H | A | -1.4264 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.5999 | |
| 258 | D | A | -1.9473 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.2596 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.6537 | |
| 267 | T | A | -0.6788 | |
| 268 | L | A | -0.7032 | |
| 269 | A | A | -0.8431 | |
| 270 | N | A | -1.3991 | |
| 271 | S | A | -0.9756 | |
| 272 | T | A | -0.9185 | |
| 273 | H | A | 0.0000 | |
| 274 | H | A | -1.8635 | |
| 275 | N | A | -1.9451 | |
| 276 | V | A | 0.0000 | |
| 277 | R | A | -1.3280 | |
| 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 | 0.0000 | |
| 285 | R | A | 0.0656 | |
| 286 | L | A | 0.2600 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.5814 | |
| 290 | H | A | -0.6990 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -0.5966 | |
| 294 | V | A | -0.7452 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | -0.7178 | |
| 297 | T | A | -0.7055 | |
| 298 | D | A | -1.7151 | |
| 299 | P | A | -1.7437 | |
| 300 | E | A | -2.8215 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.6120 | |
| 303 | K | A | -2.2575 | |
| 304 | Y | A | -1.3110 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.0123 | |
| 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 | 0.5570 | |
| 313 | Y | A | 1.0149 | |
| 314 | L | A | 0.8941 | |
| 315 | D | A | 0.5400 | |
| 316 | F | A | 1.5763 | |
| 317 | L | A | 0.7752 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | -0.4845 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -2.0307 | |
| 322 | A | A | -1.3229 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.8545 | |
| 326 | E | A | -2.2926 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.8609 | |
| 329 | R | A | -2.3687 | |
| 330 | L | A | -1.0076 | |
| 331 | F | A | -0.8965 | |
| 332 | P | A | -1.2534 | |
| 333 | N | A | -1.5370 | |
| 334 | T | A | -0.6328 | |
| 335 | M | A | -0.5748 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | -0.0888 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | V | A | -0.1378 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | -0.9296 | |
| 346 | K | A | -1.0458 | |
| 347 | F | A | 0.3337 | |
| 348 | W | A | -0.2797 | |
| 349 | E | A | -1.2631 | |
| 350 | Q | A | -1.7250 | |
| 351 | S | A | -1.1449 | |
| 352 | V | A | 0.0000 | |
| 353 | R | A | -1.0643 | |
| 354 | L | A | 0.2271 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | D | A | -2.0988 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | Q | A | -1.2437 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.7189 | |
| 366 | S | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.2287 | |
| 370 | N | A | -0.0090 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.2708 | |
| 373 | Y | A | -0.1730 | |
| 374 | H | A | -0.0791 | |
| 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 | -0.7527 | |
| 387 | P | A | -1.0041 | |
| 388 | E | A | -2.0242 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | 0.0060 | |
| 392 | N | A | 0.1578 | |
| 393 | W | A | 0.7190 | |
| 394 | V | A | -0.0058 | |
| 395 | R | A | -1.5237 | |
| 396 | N | A | -1.0574 | |
| 397 | F | A | -0.6472 | |
| 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 | 0.0000 | |
| 406 | I | A | -0.1198 | |
| 407 | T | A | -0.8237 | |
| 408 | K | A | -2.0816 | |
| 409 | D | A | -1.8317 | |
| 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 | -0.6713 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -0.6279 | |
| 429 | E | A | -1.3603 | |
| 430 | G | A | -1.2508 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.4192 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.5614 | |
| 437 | V | A | 1.0041 | |
| 438 | A | A | -0.1499 | |
| 439 | S | A | -0.8318 | |
| 440 | Q | A | -2.2013 | |
| 441 | K | A | -2.8890 | |
| 442 | N | A | -2.5372 | |
| 443 | D | A | -2.9715 | |
| 444 | L | A | 0.0000 | |
| 445 | D | A | -1.2852 | |
| 446 | A | A | -0.2539 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | 0.0000 | |
| 451 | H | A | -1.1885 | |
| 452 | P | A | -1.3564 | |
| 453 | D | A | -2.1908 | |
| 454 | G | A | -1.4984 | |
| 455 | S | A | 0.0000 | |
| 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 | -2.0823 | |
| 464 | S | A | -1.7519 | |
| 465 | S | A | -1.5201 | |
| 466 | K | A | -2.7437 | |
| 467 | D | A | -1.9427 | |
| 468 | V | A | -0.8135 | |
| 469 | P | A | -0.2090 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.7054 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3113 | |
| 476 | A | A | -0.2356 | |
| 477 | V | A | -0.0987 | |
| 478 | G | A | -0.5073 | |
| 479 | F | A | -1.0031 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -1.7827 | |
| 482 | T | A | -0.2074 | |
| 483 | I | A | 0.6596 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -0.8709 | |
| 486 | G | A | -1.3596 | |
| 487 | Y | A | -0.9991 | |
| 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 | 0.0000 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | -0.2360 | |
| 496 | R | A | -0.9280 | |
| 497 | Q | A | -1.3536 | |
| 1 | A | B | -1.1358 | |
| 2 | R | B | -1.8639 | |
| 3 | P | B | -1.2187 | |
| 4 | C | B | -0.5167 | |
| 5 | I | B | 0.0821 | |
| 6 | P | B | -0.5717 | |
| 7 | K | B | -1.0589 | |
| 8 | S | B | -0.1189 | |
| 9 | F | B | 0.7654 | |
| 10 | G | B | 0.1911 | |
| 11 | Y | B | 0.4827 | |
| 12 | S | B | -0.1199 | |
| 13 | S | B | 0.0000 | |
| 14 | V | B | -0.1167 | |
| 15 | V | B | 0.0000 | |
| 16 | C | B | 0.0000 | |
| 17 | V | B | 0.0000 | |
| 18 | C | B | 0.0000 | |
| 19 | N | B | -0.7447 | |
| 20 | A | B | -0.3432 | |
| 21 | T | B | 0.0245 | |
| 22 | Y | B | 0.3374 | |
| 23 | C | B | -0.0451 | |
| 24 | D | B | -0.5782 | |
| 25 | S | B | -0.8567 | |
| 26 | F | B | -0.5364 | |
| 27 | D | B | 0.0317 | |
| 31 | F | B | 1.5844 | |
| 32 | P | B | 1.0658 | |
| 33 | A | B | 1.0667 | |
| 34 | L | B | 1.4292 | |
| 35 | G | B | -0.1214 | |
| 36 | T | B | 0.4490 | |
| 37 | F | B | 0.0000 | |
| 38 | S | B | 0.0000 | |
| 39 | R | B | -0.3617 | |
| 40 | Y | B | 0.0000 | |
| 41 | E | B | -1.3354 | |
| 42 | S | B | 0.0000 | |
| 43 | T | B | -1.3010 | |
| 44 | R | B | -1.8292 | |
| 45 | S | B | -1.2060 | |
| 46 | G | B | -1.6432 | |
| 47 | R | B | -2.6616 | |
| 48 | R | B | 0.0000 | |
| 49 | M | B | 0.0000 | |
| 50 | E | B | -1.7144 | |
| 51 | L | B | -0.2032 | |
| 52 | S | B | -0.0512 | |
| 53 | M | B | 0.5829 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.1260 | |
| 56 | I | B | 0.4739 | |
| 57 | Q | B | -0.7519 | |
| 58 | A | B | -0.6557 | |
| 59 | N | B | -1.4956 | |
| 60 | H | B | -1.2457 | |
| 61 | T | B | -0.7413 | |
| 62 | G | B | -0.8033 | |
| 63 | T | B | -0.6433 | |
| 64 | G | B | -0.6942 | |
| 65 | L | B | -0.6774 | |
| 66 | L | B | -0.1621 | |
| 67 | L | B | 0.0000 | |
| 68 | T | B | 0.3339 | |
| 69 | L | B | 0.0000 | |
| 70 | Q | B | -1.1992 | |
| 71 | P | B | 0.0000 | |
| 72 | E | B | -2.7732 | |
| 73 | Q | B | -2.3835 | |
| 74 | K | B | -2.3724 | |
| 75 | F | B | -0.6794 | |
| 76 | Q | B | -1.0790 | |
| 77 | K | B | -2.2486 | |
| 78 | V | B | 0.0000 | |
| 79 | K | B | -1.1923 | |
| 80 | G | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | G | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | M | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | D | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | L | B | 0.7545 | |
| 92 | N | B | 0.0000 | |
| 93 | I | B | 0.0000 | |
| 94 | L | B | 0.4001 | |
| 95 | A | B | 0.4918 | |
| 96 | L | B | 0.0000 | |
| 97 | S | B | -0.5486 | |
| 98 | P | B | -0.5420 | |
| 99 | P | B | -0.6275 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | -0.5879 | |
| 102 | N | B | -0.8414 | |
| 103 | L | B | -0.5087 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -1.2301 | |
| 107 | S | B | 0.0000 | |
| 108 | Y | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | E | B | -1.9655 | |
| 112 | E | B | -2.1945 | |
| 113 | G | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | Y | B | 0.0000 | |
| 117 | N | B | 0.0000 | |
| 118 | I | B | 0.0000 | |
| 119 | I | B | 0.0000 | |
| 120 | R | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | P | B | 0.0000 | |
| 123 | M | B | 0.0000 | |
| 124 | A | B | 0.0000 | |
| 125 | S | B | -0.1297 | |
| 126 | C | B | 0.0000 | |
| 127 | D | B | -0.3391 | |
| 128 | F | B | 0.0000 | |
| 129 | S | B | 0.0000 | |
| 130 | I | B | 1.2803 | |
| 131 | R | B | -0.1869 | |
| 132 | T | B | -0.1669 | |
| 133 | Y | B | 0.0000 | |
| 134 | T | B | -0.5422 | |
| 135 | Y | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | D | B | -2.2134 | |
| 138 | T | B | -1.7991 | |
| 139 | P | B | -1.6302 | |
| 140 | D | B | -2.2212 | |
| 141 | D | B | -2.0365 | |
| 142 | F | B | -1.1700 | |
| 143 | Q | B | -1.9553 | |
| 144 | L | B | 0.0000 | |
| 145 | H | B | -2.0109 | |
| 146 | N | B | -2.1908 | |
| 147 | F | B | -1.3132 | |
| 148 | S | B | -0.9199 | |
| 149 | L | B | -0.6311 | |
| 150 | P | B | -1.1281 | |
| 151 | E | B | -2.4219 | |
| 152 | E | B | -1.2476 | |
| 153 | D | B | 0.0000 | |
| 154 | T | B | -1.4702 | |
| 155 | K | B | -2.2056 | |
| 156 | L | B | -0.8110 | |
| 157 | K | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | P | B | -0.6685 | |
| 160 | L | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | H | B | -0.9008 | |
| 163 | R | B | -0.9841 | |
| 164 | A | B | 0.0000 | |
| 165 | L | B | -0.4205 | |
| 166 | Q | B | -1.1699 | |
| 167 | L | B | -0.9836 | |
| 168 | A | B | -1.2521 | |
| 169 | Q | B | -1.8187 | |
| 170 | R | B | -1.1517 | |
| 171 | P | B | -0.6252 | |
| 172 | V | B | -0.0580 | |
| 173 | S | B | -0.0884 | |
| 174 | L | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | P | B | 0.0000 | |
| 179 | W | B | -0.0037 | |
| 180 | T | B | -0.1439 | |
| 181 | S | B | 0.0000 | |
| 182 | P | B | 0.0000 | |
| 183 | T | B | -0.6670 | |
| 184 | W | B | -0.8709 | |
| 185 | L | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | T | B | -1.4093 | |
| 188 | N | B | -1.9828 | |
| 189 | G | B | -1.2163 | |
| 190 | A | B | -1.0854 | |
| 191 | V | B | -0.8291 | |
| 192 | N | B | -1.6141 | |
| 193 | G | B | 0.0000 | |
| 194 | K | B | -1.9733 | |
| 195 | G | B | -1.3692 | |
| 196 | S | B | -0.9830 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -1.4166 | |
| 199 | G | B | -1.5176 | |
| 200 | Q | B | -1.9280 | |
| 201 | P | B | -1.9929 | |
| 202 | G | B | -1.9985 | |
| 203 | D | B | -1.7955 | |
| 204 | I | B | 0.0992 | |
| 205 | Y | B | -0.3885 | |
| 206 | H | B | 0.0000 | |
| 207 | Q | B | -1.0247 | |
| 208 | T | B | 0.0000 | |
| 209 | W | B | 0.0000 | |
| 210 | A | B | 0.0000 | |
| 211 | R | B | -0.8832 | |
| 212 | Y | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | V | B | -0.7517 | |
| 215 | K | B | -1.4082 | |
| 216 | F | B | 0.0000 | |
| 217 | L | B | 0.0000 | |
| 218 | D | B | -2.6258 | |
| 219 | A | B | -1.6758 | |
| 220 | Y | B | 0.0000 | |
| 221 | A | B | -2.7425 | |
| 222 | E | B | -3.1385 | |
| 223 | H | B | -2.4734 | |
| 224 | K | B | -3.0304 | |
| 225 | L | B | 0.0000 | |
| 226 | Q | B | -2.1992 | |
| 227 | F | B | 0.0000 | |
| 228 | W | B | -0.5794 | |
| 229 | A | B | 0.0000 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | E | B | 0.0000 | |
| 234 | N | B | -0.2281 | |
| 235 | E | B | -0.2973 | |
| 236 | P | B | 0.0000 | |
| 237 | S | B | 0.2297 | |
| 238 | A | B | -0.0784 | |
| 239 | G | B | 0.0000 | |
| 240 | L | B | 0.5774 | |
| 241 | L | B | 0.2268 | |
| 242 | S | B | -0.6785 | |
| 243 | G | B | -0.6916 | |
| 244 | Y | B | -0.4835 | |
| 245 | P | B | -0.6734 | |
| 246 | F | B | -0.3964 | |
| 247 | Q | B | -0.7345 | |
| 248 | C | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | G | B | 0.0000 | |
| 251 | F | B | 0.0000 | |
| 252 | T | B | -0.4656 | |
| 253 | P | B | -0.9539 | |
| 254 | E | B | -1.7869 | |
| 255 | H | B | -1.3172 | |
| 256 | Q | B | 0.0000 | |
| 257 | R | B | -1.6538 | |
| 258 | D | B | -2.1871 | |
| 259 | F | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | A | B | -2.0140 | |
| 262 | R | B | -2.6981 | |
| 263 | D | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | P | B | -0.8209 | |
| 267 | T | B | -0.8234 | |
| 268 | L | B | -0.4537 | |
| 269 | A | B | -0.8716 | |
| 270 | N | B | -1.3727 | |
| 271 | S | B | -1.0885 | |
| 272 | T | B | -0.9996 | |
| 273 | H | B | -1.5463 | |
| 274 | H | B | -1.8347 | |
| 275 | N | B | -1.9212 | |
| 276 | V | B | -1.2687 | |
| 277 | R | B | -1.2278 | |
| 278 | L | B | 0.0000 | |
| 279 | L | B | 0.0000 | |
| 280 | M | B | 0.0000 | |
| 281 | L | B | 0.0000 | |
| 282 | D | B | 0.0000 | |
| 283 | D | B | 0.0000 | |
| 284 | Q | B | -0.2847 | |
| 285 | R | B | 0.0000 | |
| 286 | L | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | P | B | 0.0000 | |
| 290 | H | B | -0.3325 | |
| 291 | W | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | K | B | -0.5823 | |
| 294 | V | B | -0.5239 | |
| 295 | V | B | 0.0000 | |
| 296 | L | B | -0.8045 | |
| 297 | T | B | -0.8328 | |
| 298 | D | B | -2.0032 | |
| 299 | P | B | -1.9797 | |
| 300 | E | B | -2.9382 | |
| 301 | A | B | 0.0000 | |
| 302 | A | B | -1.7251 | |
| 303 | K | B | -2.3821 | |
| 304 | Y | B | -1.1522 | |
| 305 | V | B | 0.0000 | |
| 306 | H | B | -1.3341 | |
| 307 | G | B | 0.0000 | |
| 308 | I | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | W | B | 0.0000 | |
| 313 | Y | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | D | B | -0.8750 | |
| 316 | F | B | 0.1711 | |
| 317 | L | B | 0.7950 | |
| 318 | A | B | 0.1908 | |
| 319 | P | B | -0.3659 | |
| 320 | A | B | -0.7083 | |
| 321 | K | B | -2.1286 | |
| 322 | A | B | -1.2188 | |
| 323 | T | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | G | B | -1.5600 | |
| 326 | E | B | -1.8636 | |
| 327 | T | B | 0.0000 | |
| 328 | H | B | -1.7685 | |
| 329 | R | B | -2.3574 | |
| 330 | L | B | -0.7754 | |
| 331 | F | B | -0.8587 | |
| 332 | P | B | -1.2989 | |
| 333 | N | B | -1.5698 | |
| 334 | T | B | -0.9748 | |
| 335 | M | B | -0.3701 | |
| 336 | L | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | E | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | C | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | G | B | 0.0000 | |
| 345 | S | B | -0.1750 | |
| 346 | K | B | -0.2632 | |
| 347 | F | B | 0.8467 | |
| 348 | W | B | -0.3500 | |
| 349 | E | B | -1.7451 | |
| 350 | Q | B | -1.0521 | |
| 351 | S | B | -1.1838 | |
| 352 | V | B | -1.1446 | |
| 353 | R | B | -1.3023 | |
| 354 | L | B | 0.0000 | |
| 355 | G | B | 0.0000 | |
| 356 | S | B | 0.0000 | |
| 357 | W | B | 0.0000 | |
| 358 | D | B | -2.1604 | |
| 359 | R | B | 0.0000 | |
| 360 | G | B | 0.0000 | |
| 361 | M | B | 0.0000 | |
| 362 | Q | B | -1.1283 | |
| 363 | Y | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | H | B | -0.6632 | |
| 366 | S | B | 0.0000 | |
| 367 | I | B | 0.0000 | |
| 368 | I | B | 0.0000 | |
| 369 | T | B | -0.1360 | |
| 370 | N | B | 0.0000 | |
| 371 | L | B | 0.0000 | |
| 372 | L | B | 0.4387 | |
| 373 | Y | B | -0.1579 | |
| 374 | H | B | -0.0933 | |
| 375 | V | B | 0.0000 | |
| 376 | V | B | 0.0000 | |
| 377 | G | B | 0.0000 | |
| 378 | W | B | 0.0000 | |
| 379 | T | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | W | B | 0.0000 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | A | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | N | B | -0.4778 | |
| 387 | P | B | -1.0038 | |
| 388 | E | B | -2.0190 | |
| 389 | G | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | P | B | -0.1796 | |
| 392 | N | B | 0.0000 | |
| 393 | W | B | 0.0929 | |
| 394 | V | B | -0.3851 | |
| 395 | R | B | -1.7982 | |
| 396 | N | B | -0.9425 | |
| 397 | F | B | -1.0377 | |
| 398 | V | B | 0.0000 | |
| 399 | D | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | I | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | D | B | 0.0000 | |
| 406 | I | B | 0.6121 | |
| 407 | T | B | -0.5020 | |
| 408 | K | B | -1.9673 | |
| 409 | D | B | -1.9445 | |
| 410 | T | B | 0.0000 | |
| 411 | F | B | 0.0000 | |
| 412 | Y | B | 0.0000 | |
| 413 | K | B | 0.0000 | |
| 414 | Q | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | F | B | 0.0000 | |
| 418 | Y | B | 0.0000 | |
| 419 | H | B | 0.0000 | |
| 420 | L | B | 0.0000 | |
| 421 | G | B | 0.0000 | |
| 422 | H | B | 0.0000 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | K | B | 0.0000 | |
| 426 | F | B | 0.0000 | |
| 427 | I | B | 0.0000 | |
| 428 | P | B | -0.7292 | |
| 429 | E | B | -1.5091 | |
| 430 | G | B | -1.3499 | |
| 431 | S | B | 0.0000 | |
| 432 | Q | B | -1.3616 | |
| 433 | R | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | G | B | -0.6220 | |
| 436 | L | B | 0.7501 | |
| 437 | V | B | 1.1693 | |
| 438 | A | B | -0.0708 | |
| 439 | S | B | -0.8651 | |
| 440 | Q | B | -2.0923 | |
| 441 | K | B | -2.9367 | |
| 442 | N | B | -2.5707 | |
| 443 | D | B | -2.5471 | |
| 444 | L | B | -1.3728 | |
| 445 | D | B | -0.9588 | |
| 446 | A | B | -0.0874 | |
| 447 | V | B | 0.0000 | |
| 448 | A | B | 0.0000 | |
| 449 | L | B | 0.0000 | |
| 450 | M | B | -0.8136 | |
| 451 | H | B | -1.2109 | |
| 452 | P | B | -1.5008 | |
| 453 | D | B | -2.2338 | |
| 454 | G | B | -1.4115 | |
| 455 | S | B | 0.0000 | |
| 456 | A | B | 0.0000 | |
| 457 | V | B | 0.0000 | |
| 458 | V | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | V | B | 0.0000 | |
| 461 | L | B | 0.0000 | |
| 462 | N | B | 0.0000 | |
| 463 | R | B | -1.7379 | |
| 464 | S | B | -1.5981 | |
| 465 | S | B | -1.5222 | |
| 466 | K | B | -2.6621 | |
| 467 | D | B | -2.3056 | |
| 468 | V | B | -0.8352 | |
| 469 | P | B | -0.0248 | |
| 470 | L | B | 0.0000 | |
| 471 | T | B | 0.0000 | |
| 472 | I | B | 0.0000 | |
| 473 | K | B | -0.4290 | |
| 474 | D | B | 0.0000 | |
| 475 | P | B | -0.1964 | |
| 476 | A | B | -0.0190 | |
| 477 | V | B | 0.2654 | |
| 478 | G | B | -0.1188 | |
| 479 | F | B | -0.4130 | |
| 480 | L | B | 0.0000 | |
| 481 | E | B | -0.8358 | |
| 482 | T | B | 0.0392 | |
| 483 | I | B | 0.7800 | |
| 484 | S | B | 0.0000 | |
| 485 | P | B | -1.0284 | |
| 486 | G | B | -1.4805 | |
| 487 | Y | B | -1.0227 | |
| 488 | S | B | 0.0000 | |
| 489 | I | B | 0.0000 | |
| 490 | H | B | 0.0000 | |
| 491 | T | B | 0.0000 | |
| 492 | Y | B | 0.0000 | |
| 493 | L | B | 0.0000 | |
| 494 | W | B | 0.0000 | |
| 495 | H | B | -0.8665 | |
| 496 | R | B | -1.2631 | |
| 497 | Q | B | -1.7303 |
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 | -0.281 | 4.8081 | View | CSV | PDB |
| 4.5 | -0.3198 | 4.8085 | View | CSV | PDB |
| 5.0 | -0.3664 | 4.8096 | View | CSV | PDB |
| 5.5 | -0.4118 | 4.8123 | View | CSV | PDB |
| 6.0 | -0.4471 | 4.8175 | View | CSV | PDB |
| 6.5 | -0.4662 | 4.8239 | View | CSV | PDB |
| 7.0 | -0.4695 | 4.8289 | View | CSV | PDB |
| 7.5 | -0.4623 | 4.8315 | View | CSV | PDB |
| 8.0 | -0.4494 | 4.8325 | View | CSV | PDB |
| 8.5 | -0.4318 | 4.8329 | View | CSV | PDB |
| 9.0 | -0.4086 | 4.833 | 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