| Chain sequence(s) | MADSAELKQMVMSLRVSELQVLLGYAGRNKHGRKHELLTKALHLLKAGCSPAVQMKIKELYRRRFPQKIMTPADLSIPNVHSSPMPPTLSPSTIPQLTYDGHPASSPLLPVSLLGPKHELELPHLTSALHPVHPDIKLQKLPFYDLLDELIKPTSLASDNSQRFRETCFAFALTPQQVQQISSSMDISGTKCDFTVQVQLRFCLSETSCPQEDHFPPNLCVKVNTKPCSLPGYLPPTKNGVEPKRPSRPINITSLVRLSTTVPNTIVVSWTAEIGRTYSMAVYLVKQLSSTVLLQRLRAKGIRNPDHSRALIKEKLTADPDSEIATTSLRVSLLCPLGKMRLTIPCRALTCSHLQCFDATLYIQMNEKKPTWVCPVCDKKAPYEHLIIDGLFMEILKYCTDCDEIQFKEDGSWAPMRSKKEVQEVTASYNGVDGCLSSTLEHQVASHNQSSNKNKKVEVIDLTIDSSSDEEEEEPPAKRTCPSLSPTSPLSNKGILSLPHQASPVSRTPSLPAVDTSYINTSLIQDYRHPFHMTPMPYDLQGLDFFPFLSGDNQHYNTSLLAAAAAAVSDDQDLLHSSRFFPYTSSQMFLDQLSAGGSTSLPATNGSSSGSNSSLVSSNSLRESHGHGVASRSSADTASIFGIIPDIISLD input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/98e383b41f13c0/tmp/folded.pdb (00:05:24)
[INFO] Main: Simulation completed successfully. (00:08:33)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.3856 | |
| 2 | A | A | -0.6942 | |
| 3 | D | A | -2.2319 | |
| 4 | S | A | -1.7759 | |
| 5 | A | A | -1.7283 | |
| 6 | E | A | -2.9906 | |
| 7 | L | A | 0.0000 | |
| 8 | K | A | -2.0242 | |
| 9 | Q | A | -1.8787 | |
| 10 | M | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | M | A | -0.4830 | |
| 13 | S | A | -0.3970 | |
| 14 | L | A | 0.0000 | |
| 15 | R | A | -1.4992 | |
| 16 | V | A | -0.9942 | |
| 17 | S | A | -0.4337 | |
| 18 | E | A | -0.5096 | |
| 19 | L | A | 0.0000 | |
| 20 | Q | A | -0.9501 | |
| 21 | V | A | 0.7519 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | G | A | -0.8321 | |
| 25 | Y | A | 0.4779 | |
| 26 | A | A | -0.3048 | |
| 27 | G | A | -0.9564 | |
| 28 | R | A | -1.8184 | |
| 29 | N | A | -2.8837 | |
| 30 | K | A | -2.9343 | |
| 31 | H | A | -2.8133 | |
| 32 | G | A | -2.6305 | |
| 33 | R | A | -2.9582 | |
| 34 | K | A | -2.4860 | |
| 35 | H | A | -2.0825 | |
| 36 | E | A | -2.3240 | |
| 37 | L | A | 0.0000 | |
| 38 | L | A | -1.1590 | |
| 39 | T | A | -0.8207 | |
| 40 | K | A | -1.4236 | |
| 41 | A | A | 0.0000 | |
| 42 | L | A | -0.7748 | |
| 43 | H | A | -1.2949 | |
| 44 | L | A | -0.8273 | |
| 45 | L | A | -1.0886 | |
| 46 | K | A | -1.9578 | |
| 47 | A | A | -1.0397 | |
| 48 | G | A | -0.9886 | |
| 49 | C | A | -0.6442 | |
| 50 | S | A | -0.2482 | |
| 51 | P | A | -0.2210 | |
| 52 | A | A | 0.1650 | |
| 53 | V | A | 0.0000 | |
| 54 | Q | A | -0.5004 | |
| 55 | M | A | 0.2639 | |
| 56 | K | A | -0.1461 | |
| 57 | I | A | 0.0000 | |
| 58 | K | A | -1.8657 | |
| 59 | E | A | -1.5709 | |
| 60 | L | A | 0.0000 | |
| 61 | Y | A | -1.3986 | |
| 62 | R | A | -3.0231 | |
| 63 | R | A | -2.9193 | |
| 64 | R | A | -1.5503 | |
| 65 | F | A | -0.7315 | |
| 66 | P | A | -1.3604 | |
| 67 | Q | A | -1.6861 | |
| 68 | K | A | -0.9007 | |
| 69 | I | A | 1.2735 | |
| 70 | M | A | 1.0501 | |
| 71 | T | A | 0.3759 | |
| 72 | P | A | 0.1235 | |
| 73 | A | A | -0.3826 | |
| 74 | D | A | -0.7351 | |
| 75 | L | A | 1.0102 | |
| 76 | S | A | 1.0213 | |
| 77 | I | A | 1.6445 | |
| 78 | P | A | 0.6061 | |
| 79 | N | A | -0.3017 | |
| 80 | V | A | 0.5545 | |
| 81 | H | A | -0.5337 | |
| 82 | S | A | -0.5300 | |
| 83 | S | A | -0.4602 | |
| 84 | P | A | 0.0530 | |
| 85 | M | A | 0.7178 | |
| 86 | P | A | 0.0411 | |
| 87 | P | A | 0.0867 | |
| 88 | T | A | 0.4624 | |
| 89 | L | A | 1.2957 | |
| 90 | S | A | 0.4613 | |
| 91 | P | A | -0.1555 | |
| 92 | S | A | 0.0047 | |
| 93 | T | A | 0.7466 | |
| 94 | I | A | 1.5612 | |
| 95 | P | A | 0.5840 | |
| 96 | Q | A | -0.1209 | |
| 97 | L | A | 1.0917 | |
| 98 | T | A | 0.7629 | |
| 99 | Y | A | 0.6708 | |
| 100 | D | A | -1.6218 | |
| 101 | G | A | -1.6029 | |
| 102 | H | A | -1.7046 | |
| 103 | P | A | -0.9058 | |
| 104 | A | A | -0.4067 | |
| 105 | S | A | -0.4005 | |
| 106 | S | A | -0.0500 | |
| 107 | P | A | 0.6326 | |
| 108 | L | A | 2.0765 | |
| 109 | L | A | 2.4836 | |
| 110 | P | A | 1.7878 | |
| 111 | V | A | 2.4536 | |
| 112 | S | A | 1.8277 | |
| 113 | L | A | 2.5554 | |
| 114 | L | A | 2.1548 | |
| 115 | G | A | 0.1268 | |
| 116 | P | A | -1.1772 | |
| 117 | K | A | -2.7796 | |
| 118 | H | A | -2.6123 | |
| 119 | E | A | -2.1324 | |
| 120 | L | A | -0.1343 | |
| 121 | E | A | -1.1001 | |
| 122 | L | A | 0.6699 | |
| 123 | P | A | 0.1052 | |
| 124 | H | A | -0.2619 | |
| 125 | L | A | 1.1448 | |
| 126 | T | A | 0.4779 | |
| 127 | S | A | 0.5939 | |
| 128 | A | A | 0.8830 | |
| 129 | L | A | 1.4860 | |
| 130 | H | A | 0.6310 | |
| 131 | P | A | 0.4233 | |
| 132 | V | A | 0.1677 | |
| 133 | H | A | -1.3248 | |
| 134 | P | A | -1.6373 | |
| 135 | D | A | -2.5474 | |
| 136 | I | A | 0.0000 | |
| 137 | K | A | -3.1085 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -2.2183 | |
| 140 | K | A | -2.1920 | |
| 141 | L | A | -0.8842 | |
| 142 | P | A | -0.7004 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | -0.0642 | |
| 145 | D | A | 0.0757 | |
| 146 | L | A | 0.9719 | |
| 147 | L | A | 0.7507 | |
| 148 | D | A | -0.7649 | |
| 149 | E | A | -1.2006 | |
| 150 | L | A | -0.6043 | |
| 151 | I | A | -0.5859 | |
| 152 | K | A | -1.5427 | |
| 153 | P | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | A | A | -0.9297 | |
| 158 | S | A | -1.7525 | |
| 159 | D | A | -2.8746 | |
| 160 | N | A | -2.9238 | |
| 161 | S | A | -2.0332 | |
| 162 | Q | A | -2.4657 | |
| 163 | R | A | -1.6724 | |
| 164 | F | A | -0.3283 | |
| 165 | R | A | -1.5531 | |
| 166 | E | A | -1.8971 | |
| 167 | T | A | 0.0000 | |
| 168 | C | A | 0.0260 | |
| 169 | F | A | 0.0000 | |
| 170 | A | A | 0.1050 | |
| 171 | F | A | 0.0000 | |
| 172 | A | A | 0.0602 | |
| 173 | L | A | 0.0000 | |
| 174 | T | A | -0.6818 | |
| 175 | P | A | -1.1417 | |
| 176 | Q | A | -1.8911 | |
| 177 | Q | A | -1.2293 | |
| 178 | V | A | -1.0373 | |
| 179 | Q | A | -1.8956 | |
| 180 | Q | A | -1.4740 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -0.6732 | |
| 183 | S | A | -0.6436 | |
| 184 | S | A | -0.4522 | |
| 185 | M | A | 0.3826 | |
| 186 | D | A | -0.2809 | |
| 187 | I | A | 1.0643 | |
| 188 | S | A | -0.0626 | |
| 189 | G | A | -0.8026 | |
| 190 | T | A | -0.8220 | |
| 191 | K | A | -1.7257 | |
| 192 | C | A | -0.4273 | |
| 193 | D | A | -1.4507 | |
| 194 | F | A | -0.6226 | |
| 195 | T | A | -0.6974 | |
| 196 | V | A | 0.0000 | |
| 197 | Q | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | R | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | L | A | -0.8801 | |
| 205 | S | A | -1.3319 | |
| 206 | E | A | -1.9277 | |
| 207 | T | A | -1.5412 | |
| 208 | S | A | -0.7708 | |
| 209 | C | A | -0.6307 | |
| 210 | P | A | -1.8017 | |
| 211 | Q | A | 0.0000 | |
| 212 | E | A | -2.6365 | |
| 213 | D | A | -1.6060 | |
| 214 | H | A | -1.0494 | |
| 215 | F | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | P | A | -0.8384 | |
| 218 | N | A | -1.1688 | |
| 219 | L | A | 0.0000 | |
| 220 | C | A | -0.3063 | |
| 221 | V | A | 0.0000 | |
| 222 | K | A | -1.1422 | |
| 223 | V | A | 0.0000 | |
| 224 | N | A | -0.9779 | |
| 225 | T | A | -1.1215 | |
| 226 | K | A | -2.0382 | |
| 227 | P | A | -1.2381 | |
| 228 | C | A | -0.7598 | |
| 229 | S | A | -0.5596 | |
| 230 | L | A | -0.1425 | |
| 231 | P | A | -0.1340 | |
| 232 | G | A | -0.0358 | |
| 233 | Y | A | 0.4440 | |
| 234 | L | A | 0.1653 | |
| 235 | P | A | -0.4392 | |
| 236 | P | A | -1.3270 | |
| 237 | T | A | -1.4243 | |
| 238 | K | A | -2.4182 | |
| 239 | N | A | -2.2330 | |
| 240 | G | A | -1.3756 | |
| 241 | V | A | -0.9745 | |
| 242 | E | A | -2.0953 | |
| 243 | P | A | -1.4599 | |
| 244 | K | A | -1.9505 | |
| 245 | R | A | -1.1647 | |
| 246 | P | A | -0.6903 | |
| 247 | S | A | -1.3146 | |
| 248 | R | A | -1.6249 | |
| 249 | P | A | -1.0270 | |
| 250 | I | A | 0.0000 | |
| 251 | N | A | -1.0852 | |
| 252 | I | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | S | A | -0.5110 | |
| 255 | L | A | -0.6561 | |
| 256 | V | A | 0.0000 | |
| 257 | R | A | -0.5496 | |
| 258 | L | A | -0.0236 | |
| 259 | S | A | -0.1084 | |
| 260 | T | A | -0.1600 | |
| 261 | T | A | 0.0737 | |
| 262 | V | A | 0.3536 | |
| 263 | P | A | -0.0722 | |
| 264 | N | A | 0.0000 | |
| 265 | T | A | -0.2752 | |
| 266 | I | A | 0.0000 | |
| 267 | V | A | -0.3770 | |
| 268 | V | A | 0.0000 | |
| 269 | S | A | -0.6185 | |
| 270 | W | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | A | A | -0.8187 | |
| 273 | E | A | -0.2781 | |
| 274 | I | A | 0.5853 | |
| 275 | G | A | -0.8997 | |
| 276 | R | A | -1.3596 | |
| 277 | T | A | -0.7175 | |
| 278 | Y | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | K | A | -0.5088 | |
| 287 | Q | A | -0.4710 | |
| 288 | L | A | 0.0000 | |
| 289 | S | A | -0.2282 | |
| 290 | S | A | -0.5188 | |
| 291 | T | A | -0.1597 | |
| 292 | V | A | -0.0330 | |
| 293 | L | A | 0.0000 | |
| 294 | L | A | -0.8148 | |
| 295 | Q | A | -1.9199 | |
| 296 | R | A | -1.9707 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -2.2867 | |
| 299 | A | A | -1.9137 | |
| 300 | K | A | -2.3805 | |
| 301 | G | A | -1.3859 | |
| 302 | I | A | -0.3246 | |
| 303 | R | A | -1.6581 | |
| 304 | N | A | -2.0899 | |
| 305 | P | A | -1.9137 | |
| 306 | D | A | -2.5970 | |
| 307 | H | A | -2.4303 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | -2.7416 | |
| 310 | A | A | -1.9824 | |
| 311 | L | A | -1.7405 | |
| 312 | I | A | 0.0000 | |
| 313 | K | A | -3.4323 | |
| 314 | E | A | -3.0354 | |
| 315 | K | A | -2.6449 | |
| 316 | L | A | 0.0000 | |
| 317 | T | A | -2.0655 | |
| 318 | A | A | -1.8505 | |
| 319 | D | A | -2.5883 | |
| 320 | P | A | -2.0778 | |
| 321 | D | A | -2.6846 | |
| 322 | S | A | -1.8306 | |
| 323 | E | A | -1.6185 | |
| 324 | I | A | 0.5744 | |
| 325 | A | A | -0.2104 | |
| 326 | T | A | -0.3269 | |
| 327 | T | A | -0.5389 | |
| 328 | S | A | -1.6693 | |
| 329 | L | A | -1.5692 | |
| 330 | R | A | -2.1028 | |
| 331 | V | A | 0.0000 | |
| 332 | S | A | -1.2983 | |
| 333 | L | A | 0.0000 | |
| 334 | L | A | -0.6455 | |
| 335 | C | A | 0.0000 | |
| 336 | P | A | -0.2099 | |
| 337 | L | A | 0.1448 | |
| 338 | G | A | -0.6345 | |
| 339 | K | A | -1.4222 | |
| 340 | M | A | -0.5426 | |
| 341 | R | A | -0.7057 | |
| 342 | L | A | 0.0000 | |
| 343 | T | A | -0.1260 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | 0.0000 | |
| 346 | C | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.9618 | |
| 350 | T | A | -0.1994 | |
| 351 | C | A | 0.0000 | |
| 352 | S | A | -0.3338 | |
| 353 | H | A | -0.2276 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.2938 | |
| 356 | C | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | D | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | T | A | -0.0386 | |
| 361 | L | A | 0.1917 | |
| 362 | Y | A | 0.0000 | |
| 363 | I | A | 0.0000 | |
| 364 | Q | A | -1.1041 | |
| 365 | M | A | -0.8905 | |
| 366 | N | A | 0.0000 | |
| 367 | E | A | -2.2201 | |
| 368 | K | A | -2.9101 | |
| 369 | K | A | -2.7617 | |
| 370 | P | A | -1.5635 | |
| 371 | T | A | -0.9218 | |
| 372 | W | A | 0.0000 | |
| 373 | V | A | -1.2411 | |
| 374 | C | A | 0.0000 | |
| 375 | P | A | -0.4812 | |
| 376 | V | A | -0.0235 | |
| 377 | C | A | -1.1656 | |
| 378 | D | A | -2.6302 | |
| 379 | K | A | -3.1413 | |
| 380 | K | A | -2.8325 | |
| 381 | A | A | 0.0000 | |
| 382 | P | A | -0.8559 | |
| 383 | Y | A | 0.0000 | |
| 384 | E | A | -1.0025 | |
| 385 | H | A | -0.6695 | |
| 386 | L | A | 0.0000 | |
| 387 | I | A | -0.2710 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | M | A | -0.3385 | |
| 394 | E | A | -1.0058 | |
| 395 | I | A | 0.0000 | |
| 396 | L | A | -0.8153 | |
| 397 | K | A | -1.2363 | |
| 398 | Y | A | 0.1342 | |
| 399 | C | A | 0.0000 | |
| 400 | T | A | -1.2254 | |
| 401 | D | A | -2.2901 | |
| 402 | C | A | 0.0000 | |
| 403 | D | A | -2.3453 | |
| 404 | E | A | -2.1846 | |
| 405 | I | A | 0.0000 | |
| 406 | Q | A | -1.2597 | |
| 407 | F | A | 0.0000 | |
| 408 | K | A | -2.7195 | |
| 409 | E | A | -3.8251 | |
| 410 | D | A | -3.2456 | |
| 411 | G | A | -2.3893 | |
| 412 | S | A | -1.2996 | |
| 413 | W | A | -0.6820 | |
| 414 | A | A | -0.5465 | |
| 415 | P | A | -1.3528 | |
| 416 | M | A | -1.6757 | |
| 417 | R | A | -3.0598 | |
| 418 | S | A | -2.6696 | |
| 419 | K | A | -3.4461 | |
| 420 | K | A | -3.3908 | |
| 421 | E | A | -2.9805 | |
| 422 | V | A | -0.7076 | |
| 423 | Q | A | -1.5066 | |
| 424 | E | A | -1.2816 | |
| 425 | V | A | 0.7352 | |
| 426 | T | A | 0.2000 | |
| 427 | A | A | 0.4129 | |
| 428 | S | A | 0.3112 | |
| 429 | Y | A | 0.4912 | |
| 430 | N | A | -0.4788 | |
| 431 | G | A | -0.2917 | |
| 432 | V | A | 0.2851 | |
| 433 | D | A | -1.0935 | |
| 434 | G | A | -0.3129 | |
| 435 | C | A | 0.8257 | |
| 436 | L | A | 1.6564 | |
| 437 | S | A | 0.5813 | |
| 438 | S | A | 0.2915 | |
| 439 | T | A | 0.1167 | |
| 440 | L | A | 0.1262 | |
| 441 | E | A | -1.7219 | |
| 442 | H | A | -1.7500 | |
| 443 | Q | A | -1.0081 | |
| 444 | V | A | 0.9385 | |
| 445 | A | A | 0.2846 | |
| 446 | S | A | -0.5581 | |
| 447 | H | A | -1.9836 | |
| 448 | N | A | -2.4619 | |
| 449 | Q | A | -2.3386 | |
| 450 | S | A | -1.4917 | |
| 451 | S | A | -1.9224 | |
| 452 | N | A | -2.8881 | |
| 453 | K | A | -3.6407 | |
| 454 | N | A | -3.4924 | |
| 455 | K | A | -3.4626 | |
| 456 | K | A | -2.4961 | |
| 457 | V | A | 0.1177 | |
| 458 | E | A | -0.4276 | |
| 459 | V | A | 1.8413 | |
| 460 | I | A | 2.3412 | |
| 461 | D | A | 0.4295 | |
| 462 | L | A | 1.6503 | |
| 463 | T | A | 0.8337 | |
| 464 | I | A | 1.2868 | |
| 465 | D | A | -0.9155 | |
| 466 | S | A | -0.8570 | |
| 467 | S | A | -1.2862 | |
| 468 | S | A | -2.1427 | |
| 469 | D | A | -3.4616 | |
| 470 | E | A | -4.0691 | |
| 471 | E | A | -4.4069 | |
| 472 | E | A | -4.6423 | |
| 473 | E | A | -4.0192 | |
| 474 | E | A | -3.2918 | |
| 475 | P | A | -1.9937 | |
| 476 | P | A | -1.0943 | |
| 477 | A | A | -1.3472 | |
| 478 | K | A | -2.5997 | |
| 479 | R | A | -2.5534 | |
| 480 | T | A | -1.1370 | |
| 481 | C | A | -0.0468 | |
| 482 | P | A | 0.3723 | |
| 483 | S | A | 0.5101 | |
| 484 | L | A | 1.2274 | |
| 485 | S | A | 0.3342 | |
| 486 | P | A | -0.1286 | |
| 487 | T | A | -0.4066 | |
| 488 | S | A | -0.1151 | |
| 489 | P | A | 0.1978 | |
| 490 | L | A | 0.7643 | |
| 491 | S | A | -0.5802 | |
| 492 | N | A | -1.8278 | |
| 493 | K | A | -2.0756 | |
| 494 | G | A | -0.3963 | |
| 495 | I | A | 2.1322 | |
| 496 | L | A | 2.6866 | |
| 497 | S | A | 1.7173 | |
| 498 | L | A | 1.4659 | |
| 499 | P | A | -0.1790 | |
| 500 | H | A | -1.4373 | |
| 501 | Q | A | -1.6756 | |
| 502 | A | A | -0.8987 | |
| 503 | S | A | -0.1894 | |
| 504 | P | A | 0.4508 | |
| 505 | V | A | 1.0730 | |
| 506 | S | A | -0.4704 | |
| 507 | R | A | -1.6390 | |
| 508 | T | A | -1.0312 | |
| 509 | P | A | -0.5119 | |
| 510 | S | A | 0.3495 | |
| 511 | L | A | 1.4529 | |
| 512 | P | A | 0.9759 | |
| 513 | A | A | 0.7501 | |
| 514 | V | A | 1.0160 | |
| 515 | D | A | -0.9813 | |
| 516 | T | A | -0.1953 | |
| 517 | S | A | 0.4867 | |
| 518 | Y | A | 1.9756 | |
| 519 | I | A | 1.9731 | |
| 520 | N | A | 0.1512 | |
| 521 | T | A | 0.4988 | |
| 522 | S | A | 0.7626 | |
| 523 | L | A | 1.7846 | |
| 524 | I | A | 1.8564 | |
| 525 | Q | A | -0.8746 | |
| 526 | D | A | -1.7248 | |
| 527 | Y | A | -0.7656 | |
| 528 | R | A | -2.1194 | |
| 529 | H | A | -1.4721 | |
| 530 | P | A | -0.2331 | |
| 531 | F | A | 1.1185 | |
| 532 | H | A | 0.2608 | |
| 533 | M | A | 1.0180 | |
| 534 | T | A | 0.5032 | |
| 535 | P | A | 0.4548 | |
| 536 | M | A | 0.9993 | |
| 537 | P | A | 0.4167 | |
| 538 | Y | A | 0.6447 | |
| 539 | D | A | -0.6430 | |
| 540 | L | A | 0.4033 | |
| 541 | Q | A | -0.8760 | |
| 542 | G | A | -0.3277 | |
| 543 | L | A | 1.0119 | |
| 544 | D | A | 0.1663 | |
| 545 | F | A | 2.2741 | |
| 546 | F | A | 2.9563 | |
| 547 | P | A | 2.2458 | |
| 548 | F | A | 2.8230 | |
| 549 | L | A | 2.1605 | |
| 550 | S | A | 0.2185 | |
| 551 | G | A | -1.1623 | |
| 552 | D | A | -2.9350 | |
| 553 | N | A | -2.9322 | |
| 554 | Q | A | -2.7157 | |
| 555 | H | A | -1.8380 | |
| 556 | Y | A | -0.1785 | |
| 557 | N | A | -0.5966 | |
| 558 | T | A | 0.3222 | |
| 559 | S | A | 0.9024 | |
| 560 | L | A | 2.1140 | |
| 561 | L | A | 2.0688 | |
| 562 | A | A | 1.1444 | |
| 563 | A | A | 1.0487 | |
| 564 | A | A | 1.2279 | |
| 565 | A | A | 1.1015 | |
| 566 | A | A | 0.8158 | |
| 567 | A | A | 0.6568 | |
| 568 | V | A | 1.1005 | |
| 569 | S | A | -0.8261 | |
| 570 | D | A | -2.8880 | |
| 571 | D | A | -3.3032 | |
| 572 | Q | A | -2.8674 | |
| 573 | D | A | -1.9972 | |
| 574 | L | A | 0.6560 | |
| 575 | L | A | 1.1008 | |
| 576 | H | A | -0.4851 | |
| 577 | S | A | -0.6840 | |
| 578 | S | A | -0.9288 | |
| 579 | R | A | -0.7446 | |
| 580 | F | A | 2.0038 | |
| 581 | F | A | 2.7485 | |
| 582 | P | A | 1.7174 | |
| 583 | Y | A | 1.4912 | |
| 584 | T | A | 0.3473 | |
| 585 | S | A | -0.2452 | |
| 586 | S | A | -0.7205 | |
| 587 | Q | A | -0.3666 | |
| 588 | M | A | 1.6185 | |
| 589 | F | A | 2.5220 | |
| 590 | L | A | 1.5688 | |
| 591 | D | A | -0.7966 | |
| 592 | Q | A | -1.0032 | |
| 593 | L | A | 0.4195 | |
| 594 | S | A | 0.1909 | |
| 595 | A | A | -0.1047 | |
| 596 | G | A | -0.5922 | |
| 597 | G | A | -0.7958 | |
| 598 | S | A | -0.6145 | |
| 599 | T | A | -0.0894 | |
| 600 | S | A | 0.3986 | |
| 601 | L | A | 1.3021 | |
| 602 | P | A | 0.5777 | |
| 603 | A | A | -0.0292 | |
| 604 | T | A | -0.7891 | |
| 605 | N | A | -1.5674 | |
| 606 | G | A | -1.2549 | |
| 607 | S | A | -0.9055 | |
| 608 | S | A | -0.6203 | |
| 609 | S | A | -0.6310 | |
| 610 | G | A | -1.0197 | |
| 611 | S | A | -1.2554 | |
| 612 | N | A | -1.6440 | |
| 613 | S | A | -0.6275 | |
| 614 | S | A | 0.6657 | |
| 615 | L | A | 2.1862 | |
| 616 | V | A | 2.3174 | |
| 617 | S | A | 0.5681 | |
| 618 | S | A | -0.5764 | |
| 619 | N | A | -1.1751 | |
| 620 | S | A | -0.5305 | |
| 621 | L | A | -0.1510 | |
| 622 | R | A | -2.1945 | |
| 623 | E | A | -2.8115 | |
| 624 | S | A | -2.2227 | |
| 625 | H | A | -1.9133 | |
| 626 | G | A | -1.5747 | |
| 627 | H | A | -1.2582 | |
| 628 | G | A | -0.1853 | |
| 629 | V | A | 1.3032 | |
| 630 | A | A | 0.2702 | |
| 631 | S | A | -0.7522 | |
| 632 | R | A | -2.0816 | |
| 633 | S | A | -1.4512 | |
| 634 | S | A | -1.1842 | |
| 635 | A | A | -1.1721 | |
| 636 | D | A | -1.8825 | |
| 637 | T | A | -0.7525 | |
| 638 | A | A | 0.3037 | |
| 639 | S | A | 1.0218 | |
| 640 | I | A | 2.9755 | |
| 641 | F | A | 3.3778 | |
| 642 | G | A | 2.4793 | |
| 643 | I | A | 3.1987 | |
| 644 | I | A | 2.7805 | |
| 645 | P | A | 1.0887 | |
| 646 | D | A | 0.3211 | |
| 647 | I | A | 2.4386 | |
| 648 | I | A | 2.5908 | |
| 649 | S | A | 1.4082 | |
| 650 | L | A | 1.3411 | |
| 651 | D | A | -0.8666 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1921 | 8.4734 | View | CSV | PDB |
| 4.5 | -0.2588 | 8.3955 | View | CSV | PDB |
| 5.0 | -0.3385 | 8.2897 | View | CSV | PDB |
| 5.5 | -0.4146 | 8.17 | View | CSV | PDB |
| 6.0 | -0.471 | 8.045 | View | CSV | PDB |
| 6.5 | -0.4996 | 7.9183 | View | CSV | PDB |
| 7.0 | -0.5042 | 7.7913 | View | CSV | PDB |
| 7.5 | -0.4952 | 7.6646 | View | CSV | PDB |
| 8.0 | -0.4791 | 7.5399 | View | CSV | PDB |
| 8.5 | -0.4562 | 7.4209 | View | CSV | PDB |
| 9.0 | -0.4246 | 7.3169 | 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