| Chain sequence(s) | MTTLDSNNNTGGVITYIGSSGSSPSRTSPESLYSDSSNGSFQSLTQGCPTYFPPSPTGSLTQDPARSFGTVPPSLSDDSSPSSASSSSSSSSSSFYNGSPPGSLQVAMEDSSRVSPSKGTSNITKLNGMVLLCKVCGDVASGFHYGVHACEGCKGFFRRSIQQNIQYKRCLKNENCSIVRINRNRCQQCRFKKCLSVGMSRDAVRFGRIPKREKQRMLAEMQNAMNLANNQLSSLCPLETSPAPHPTSGSVGPSPPPAPAPTPLVGFSQFPQQLTPPRSPSPEPTVEDVISQVARAHREIFTYAHDKLGTSPGNFNANHASGSPPATTPQCWESQGCPSTPNDNNLLAAQRHNEALNGLRQGPSSYPPTWPSGPAHHSCHQPNSNGHRLCPTHVYSAPEGKAPANGLRQGNTKNVLLACPMNMYPHGRSGRTVQEIWEDFSMSFTPAVREVVEFAKHIPGFRDLSQHDQVTLLKAGTFEVLMVRFASLFNVKDQTVMFLSRTTYSLQELGAMGMGDLLNAMFDFSEKLNSLALTEEELGLFTAVVLVSADRSGMENSASVEQLQKTLLRALRALVLKNRPSETSRFTKLLLKLPDLRTLNNMHSEKLLSFRVDAQ 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a00c5e75c27ab4/tmp/folded.pdb (00:22:14)
[INFO] Main: Simulation completed successfully. (00:33:11)
|
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 | 1.1583 | |
| 2 | T | A | 0.5819 | |
| 3 | T | A | 0.3866 | |
| 4 | L | A | 0.5186 | |
| 5 | D | A | -1.6773 | |
| 6 | S | A | -1.7474 | |
| 7 | N | A | -2.6116 | |
| 8 | N | A | -2.8740 | |
| 9 | N | A | -2.4040 | |
| 10 | T | A | -1.2962 | |
| 11 | G | A | -0.7299 | |
| 12 | G | A | 0.3077 | |
| 13 | V | A | 1.9860 | |
| 14 | I | A | 2.0635 | |
| 15 | T | A | 1.7665 | |
| 16 | Y | A | 2.0158 | |
| 17 | I | A | 2.1109 | |
| 18 | G | A | 0.3814 | |
| 19 | S | A | -0.0260 | |
| 20 | S | A | -0.5298 | |
| 21 | G | A | -0.8490 | |
| 22 | S | A | -0.6722 | |
| 23 | S | A | -0.7960 | |
| 24 | P | A | -0.9051 | |
| 25 | S | A | -1.2983 | |
| 26 | R | A | -2.1290 | |
| 27 | T | A | -1.1723 | |
| 28 | S | A | -1.2140 | |
| 29 | P | A | -1.3056 | |
| 30 | E | A | -1.7248 | |
| 31 | S | A | -0.1155 | |
| 32 | L | A | 1.5700 | |
| 33 | Y | A | 1.5365 | |
| 34 | S | A | -0.0885 | |
| 35 | D | A | -1.7685 | |
| 36 | S | A | -1.4957 | |
| 37 | S | A | -1.4216 | |
| 38 | N | A | -1.6932 | |
| 39 | G | A | -0.8404 | |
| 40 | S | A | -0.0823 | |
| 41 | F | A | 1.0478 | |
| 42 | Q | A | 0.0360 | |
| 43 | S | A | 0.3598 | |
| 44 | L | A | 0.8898 | |
| 45 | T | A | -0.2291 | |
| 46 | Q | A | -1.0110 | |
| 47 | G | A | -0.8388 | |
| 48 | C | A | 0.1081 | |
| 49 | P | A | 0.3037 | |
| 50 | T | A | 1.0402 | |
| 51 | Y | A | 2.0751 | |
| 52 | F | A | 2.3730 | |
| 53 | P | A | 0.7788 | |
| 54 | P | A | 0.0588 | |
| 55 | S | A | -0.5269 | |
| 56 | P | A | -0.5746 | |
| 57 | T | A | -0.5408 | |
| 58 | G | A | -0.3551 | |
| 59 | S | A | 0.2175 | |
| 60 | L | A | 0.8611 | |
| 61 | T | A | -0.2350 | |
| 62 | Q | A | -1.9602 | |
| 63 | D | A | -2.4322 | |
| 64 | P | A | -1.7502 | |
| 65 | A | A | -1.3182 | |
| 66 | R | A | -1.6269 | |
| 67 | S | A | -0.4669 | |
| 68 | F | A | 1.3382 | |
| 69 | G | A | 0.7701 | |
| 70 | T | A | 1.0534 | |
| 71 | V | A | 1.6545 | |
| 72 | P | A | 0.4098 | |
| 73 | P | A | 0.1577 | |
| 74 | S | A | 0.3242 | |
| 75 | L | A | 0.9014 | |
| 76 | S | A | -0.6119 | |
| 77 | D | A | -2.5928 | |
| 78 | D | A | -2.9593 | |
| 79 | S | A | -1.6028 | |
| 80 | S | A | -0.8707 | |
| 81 | P | A | -0.5649 | |
| 82 | S | A | -0.4690 | |
| 83 | S | A | -0.3787 | |
| 84 | A | A | -0.2656 | |
| 85 | S | A | -0.3857 | |
| 86 | S | A | -0.4776 | |
| 87 | S | A | -0.5492 | |
| 88 | S | A | -0.5361 | |
| 89 | S | A | -0.5535 | |
| 90 | S | A | -0.5434 | |
| 91 | S | A | -0.5289 | |
| 92 | S | A | -0.5207 | |
| 93 | S | A | -0.0753 | |
| 94 | S | A | 0.7899 | |
| 95 | F | A | 2.1739 | |
| 96 | Y | A | 1.4797 | |
| 97 | N | A | -0.5022 | |
| 98 | G | A | -0.9785 | |
| 99 | S | A | -0.8747 | |
| 100 | P | A | -0.7052 | |
| 101 | P | A | -0.7029 | |
| 102 | G | A | -0.4377 | |
| 103 | S | A | -0.0076 | |
| 104 | L | A | 1.0499 | |
| 105 | Q | A | 0.4574 | |
| 106 | V | A | 1.7550 | |
| 107 | A | A | 0.8661 | |
| 108 | M | A | 0.1729 | |
| 109 | E | A | -2.2393 | |
| 110 | D | A | -2.6185 | |
| 111 | S | A | -1.9125 | |
| 112 | S | A | -1.2344 | |
| 113 | R | A | -1.1976 | |
| 114 | V | A | 0.6476 | |
| 115 | S | A | 0.0342 | |
| 116 | P | A | -0.6805 | |
| 117 | S | A | -1.1314 | |
| 118 | K | A | -2.1220 | |
| 119 | G | A | -1.6686 | |
| 120 | T | A | -1.0101 | |
| 121 | S | A | -1.1165 | |
| 122 | N | A | -1.4318 | |
| 123 | I | A | -0.1195 | |
| 124 | T | A | -0.0413 | |
| 125 | K | A | -1.6833 | |
| 126 | L | A | -1.1041 | |
| 127 | N | A | -1.6082 | |
| 128 | G | A | -0.9887 | |
| 129 | M | A | 0.3866 | |
| 130 | V | A | 1.6215 | |
| 131 | L | A | 1.4756 | |
| 132 | L | A | 1.7622 | |
| 133 | C | A | 0.0000 | |
| 134 | K | A | -1.1766 | |
| 135 | V | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | G | A | 0.1248 | |
| 138 | D | A | 0.0813 | |
| 139 | V | A | 1.2835 | |
| 140 | A | A | 0.0000 | |
| 141 | S | A | 0.1833 | |
| 142 | G | A | 0.6074 | |
| 143 | F | A | 1.1279 | |
| 144 | H | A | -0.0863 | |
| 145 | Y | A | -0.7099 | |
| 146 | G | A | -0.4946 | |
| 147 | V | A | 0.0000 | |
| 148 | H | A | 0.2802 | |
| 149 | A | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | E | A | -1.9256 | |
| 152 | G | A | -1.4332 | |
| 153 | C | A | 0.0000 | |
| 154 | K | A | -1.3890 | |
| 155 | G | A | -1.5676 | |
| 156 | F | A | -1.3957 | |
| 157 | F | A | 0.0000 | |
| 158 | R | A | -3.1674 | |
| 159 | R | A | -3.1583 | |
| 160 | S | A | 0.0000 | |
| 161 | I | A | -2.9531 | |
| 162 | Q | A | -3.3988 | |
| 163 | Q | A | -2.9352 | |
| 164 | N | A | -2.4708 | |
| 165 | I | A | -1.5796 | |
| 166 | Q | A | -1.9476 | |
| 167 | Y | A | -1.9421 | |
| 168 | K | A | -2.7097 | |
| 169 | R | A | -3.0397 | |
| 170 | C | A | 0.0000 | |
| 171 | L | A | -0.4179 | |
| 172 | K | A | -2.0760 | |
| 173 | N | A | -2.4459 | |
| 174 | E | A | -2.3260 | |
| 175 | N | A | -2.3011 | |
| 176 | C | A | 0.0000 | |
| 177 | S | A | -0.8395 | |
| 178 | I | A | -0.6992 | |
| 179 | V | A | -0.0295 | |
| 180 | R | A | -0.3438 | |
| 181 | I | A | 0.9282 | |
| 182 | N | A | -0.5143 | |
| 183 | R | A | -1.3864 | |
| 184 | N | A | -2.3501 | |
| 185 | R | A | -2.5153 | |
| 186 | C | A | 0.0000 | |
| 187 | Q | A | -2.4834 | |
| 188 | Q | A | -2.1921 | |
| 189 | C | A | 0.0000 | |
| 190 | R | A | 0.0000 | |
| 191 | F | A | -0.5334 | |
| 192 | K | A | -1.2346 | |
| 193 | K | A | -1.3178 | |
| 194 | C | A | 0.0000 | |
| 195 | L | A | -0.4595 | |
| 196 | S | A | -0.5714 | |
| 197 | V | A | -0.6155 | |
| 198 | G | A | -0.8463 | |
| 199 | M | A | 0.0000 | |
| 200 | S | A | -1.8135 | |
| 201 | R | A | -3.1318 | |
| 202 | D | A | -2.8927 | |
| 203 | A | A | -1.6083 | |
| 204 | V | A | 0.0000 | |
| 205 | R | A | -2.5911 | |
| 206 | F | A | 0.1340 | |
| 207 | G | A | -0.8735 | |
| 208 | R | A | -1.2225 | |
| 209 | I | A | 0.2733 | |
| 210 | P | A | -1.8435 | |
| 211 | K | A | -3.5935 | |
| 212 | R | A | -3.9695 | |
| 213 | E | A | -3.4071 | |
| 214 | K | A | -3.2403 | |
| 215 | Q | A | -3.8199 | |
| 216 | R | A | -4.1321 | |
| 217 | M | A | -2.4597 | |
| 218 | L | A | -1.9422 | |
| 219 | A | A | -2.4970 | |
| 220 | E | A | -3.2222 | |
| 221 | M | A | 0.0000 | |
| 222 | Q | A | -2.5611 | |
| 223 | N | A | -2.3194 | |
| 224 | A | A | -1.2754 | |
| 225 | M | A | -1.4533 | |
| 226 | N | A | -2.2401 | |
| 227 | L | A | -0.3801 | |
| 228 | A | A | -0.7615 | |
| 229 | N | A | -1.6909 | |
| 230 | N | A | -1.7061 | |
| 231 | Q | A | -1.1061 | |
| 232 | L | A | 0.6547 | |
| 233 | S | A | -0.0973 | |
| 234 | S | A | 0.2095 | |
| 235 | L | A | 1.7139 | |
| 236 | C | A | 1.5862 | |
| 237 | P | A | 0.7636 | |
| 238 | L | A | 0.6643 | |
| 239 | E | A | -1.1198 | |
| 240 | T | A | -0.7471 | |
| 241 | S | A | -0.5532 | |
| 242 | P | A | -0.4027 | |
| 243 | A | A | -0.4911 | |
| 244 | P | A | -0.8016 | |
| 245 | H | A | -1.2366 | |
| 246 | P | A | -0.9022 | |
| 247 | T | A | -0.6198 | |
| 248 | S | A | -0.3947 | |
| 249 | G | A | -0.3675 | |
| 250 | S | A | 0.2672 | |
| 251 | V | A | 1.2754 | |
| 252 | G | A | 0.1729 | |
| 253 | P | A | -0.2557 | |
| 254 | S | A | -0.6435 | |
| 255 | P | A | -0.5860 | |
| 256 | P | A | -0.5910 | |
| 257 | P | A | -0.4824 | |
| 258 | A | A | -0.2317 | |
| 259 | P | A | -0.3434 | |
| 260 | A | A | -0.1889 | |
| 261 | P | A | -0.3708 | |
| 262 | T | A | 0.0515 | |
| 263 | P | A | 0.7742 | |
| 264 | L | A | 2.1660 | |
| 265 | V | A | 2.6731 | |
| 266 | G | A | 1.6058 | |
| 267 | F | A | 1.7717 | |
| 268 | S | A | 0.4132 | |
| 269 | Q | A | -0.1148 | |
| 270 | F | A | 0.8659 | |
| 271 | P | A | -0.3149 | |
| 272 | Q | A | -1.1988 | |
| 273 | Q | A | -1.1295 | |
| 274 | L | A | 0.5146 | |
| 275 | T | A | -0.1701 | |
| 276 | P | A | -0.7092 | |
| 277 | P | A | -1.1656 | |
| 278 | R | A | -2.2429 | |
| 279 | S | A | -1.4375 | |
| 280 | P | A | -1.2988 | |
| 281 | S | A | -1.2534 | |
| 282 | P | A | -1.3980 | |
| 283 | E | A | -2.3016 | |
| 284 | P | A | -1.9118 | |
| 285 | T | A | -1.6042 | |
| 286 | V | A | -1.7637 | |
| 287 | E | A | -2.4016 | |
| 288 | D | A | -2.4875 | |
| 289 | V | A | 0.0000 | |
| 290 | I | A | -1.5609 | |
| 291 | S | A | -1.7091 | |
| 292 | Q | A | -1.8787 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -2.8333 | |
| 296 | A | A | 0.0000 | |
| 297 | H | A | 0.0000 | |
| 298 | R | A | -2.4542 | |
| 299 | E | A | -2.2062 | |
| 300 | I | A | -1.4885 | |
| 301 | F | A | 0.0000 | |
| 302 | T | A | -1.1838 | |
| 303 | Y | A | -0.3706 | |
| 304 | A | A | -0.7401 | |
| 305 | H | A | -1.5380 | |
| 306 | D | A | -2.4596 | |
| 307 | K | A | -2.6630 | |
| 308 | L | A | 0.0000 | |
| 309 | G | A | -1.9009 | |
| 310 | T | A | -1.2737 | |
| 311 | S | A | -0.9861 | |
| 312 | P | A | -0.6469 | |
| 313 | G | A | -0.9404 | |
| 314 | N | A | -1.0317 | |
| 315 | F | A | 0.4215 | |
| 316 | N | A | -1.1597 | |
| 317 | A | A | -1.0472 | |
| 318 | N | A | -1.8025 | |
| 319 | H | A | -1.7361 | |
| 320 | A | A | -0.9341 | |
| 321 | S | A | -0.6674 | |
| 322 | G | A | -0.7118 | |
| 323 | S | A | -0.6548 | |
| 324 | P | A | -0.5715 | |
| 325 | P | A | -0.4149 | |
| 326 | A | A | -0.1746 | |
| 327 | T | A | -0.1823 | |
| 328 | T | A | -0.4571 | |
| 329 | P | A | -0.8205 | |
| 330 | Q | A | -0.7645 | |
| 331 | C | A | 0.1936 | |
| 332 | W | A | 0.3852 | |
| 333 | E | A | -1.4429 | |
| 334 | S | A | -1.4601 | |
| 335 | Q | A | -1.8094 | |
| 336 | G | A | -0.7923 | |
| 337 | C | A | 0.0453 | |
| 338 | P | A | -0.2584 | |
| 339 | S | A | -0.2689 | |
| 340 | T | A | -0.6465 | |
| 341 | P | A | -1.2956 | |
| 342 | N | A | -2.5390 | |
| 343 | D | A | -3.3510 | |
| 344 | N | A | -2.7621 | |
| 345 | N | A | -1.1885 | |
| 346 | L | A | 1.4842 | |
| 347 | L | A | 1.9912 | |
| 348 | A | A | 0.6268 | |
| 349 | A | A | -0.6106 | |
| 350 | Q | A | -2.0552 | |
| 351 | R | A | -3.2589 | |
| 352 | H | A | -3.3217 | |
| 353 | N | A | -3.1396 | |
| 354 | E | A | -2.3409 | |
| 355 | A | A | -0.7093 | |
| 356 | L | A | 0.4090 | |
| 357 | N | A | -0.8435 | |
| 358 | G | A | -0.5501 | |
| 359 | L | A | -0.2854 | |
| 360 | R | A | -1.8766 | |
| 361 | Q | A | -2.0568 | |
| 362 | G | A | -1.7029 | |
| 363 | P | A | -0.9631 | |
| 364 | S | A | -0.2648 | |
| 365 | S | A | 0.1788 | |
| 366 | Y | A | 0.9876 | |
| 367 | P | A | 0.1852 | |
| 368 | P | A | 0.0715 | |
| 369 | T | A | 0.3662 | |
| 370 | W | A | 0.8467 | |
| 371 | P | A | 0.1601 | |
| 372 | S | A | -0.2879 | |
| 373 | G | A | -0.7433 | |
| 374 | P | A | -0.7699 | |
| 375 | A | A | -0.9355 | |
| 376 | H | A | -1.5822 | |
| 377 | H | A | -1.3890 | |
| 378 | S | A | -0.8104 | |
| 379 | C | A | -0.3234 | |
| 380 | H | A | -1.3127 | |
| 381 | Q | A | -1.9770 | |
| 382 | P | A | -1.7766 | |
| 383 | N | A | -2.0535 | |
| 384 | S | A | -1.6618 | |
| 385 | N | A | -2.0978 | |
| 386 | G | A | -1.9741 | |
| 387 | H | A | -2.1404 | |
| 388 | R | A | -1.5967 | |
| 389 | L | A | 0.7111 | |
| 390 | C | A | 0.9662 | |
| 391 | P | A | 0.2120 | |
| 392 | T | A | -0.0107 | |
| 393 | H | A | 0.1089 | |
| 394 | V | A | 1.8652 | |
| 395 | Y | A | 1.8284 | |
| 396 | S | A | 0.7807 | |
| 397 | A | A | -0.2344 | |
| 398 | P | A | -1.2378 | |
| 399 | E | A | -2.5316 | |
| 400 | G | A | -2.1771 | |
| 401 | K | A | -2.3481 | |
| 402 | A | A | -0.9814 | |
| 403 | P | A | -0.7879 | |
| 404 | A | A | -0.7622 | |
| 405 | N | A | -1.1687 | |
| 406 | G | A | -0.6881 | |
| 407 | L | A | -0.0714 | |
| 408 | R | A | -1.8839 | |
| 409 | Q | A | -2.3392 | |
| 410 | G | A | -2.2515 | |
| 411 | N | A | -2.3285 | |
| 412 | T | A | -1.8636 | |
| 413 | K | A | -1.9265 | |
| 414 | N | A | -0.7099 | |
| 415 | V | A | 1.8283 | |
| 416 | L | A | 2.6571 | |
| 417 | L | A | 2.8382 | |
| 418 | A | A | 1.7474 | |
| 419 | C | A | 1.4480 | |
| 420 | P | A | 0.5885 | |
| 421 | M | A | 0.9541 | |
| 422 | N | A | 0.1165 | |
| 423 | M | A | 1.2004 | |
| 424 | Y | A | 1.2337 | |
| 425 | P | A | -0.1117 | |
| 426 | H | A | -1.1638 | |
| 427 | G | A | -1.6614 | |
| 428 | R | A | -2.5173 | |
| 429 | S | A | -1.6689 | |
| 430 | G | A | -1.5265 | |
| 431 | R | A | -1.4785 | |
| 432 | T | A | -0.4090 | |
| 433 | V | A | 0.4898 | |
| 434 | Q | A | -1.3313 | |
| 435 | E | A | -2.0357 | |
| 436 | I | A | 0.0000 | |
| 437 | W | A | -0.5492 | |
| 438 | E | A | -1.8190 | |
| 439 | D | A | -0.9961 | |
| 440 | F | A | -0.2106 | |
| 441 | S | A | 0.2046 | |
| 442 | M | A | 0.7235 | |
| 443 | S | A | 0.0000 | |
| 444 | F | A | 0.4122 | |
| 445 | T | A | -0.0043 | |
| 446 | P | A | -0.4077 | |
| 447 | A | A | 0.0000 | |
| 448 | V | A | -0.7629 | |
| 449 | R | A | -2.0768 | |
| 450 | E | A | -1.5082 | |
| 451 | V | A | 0.0000 | |
| 452 | V | A | -1.0374 | |
| 453 | E | A | -2.1983 | |
| 454 | F | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | K | A | -2.0235 | |
| 457 | H | A | -1.6594 | |
| 458 | I | A | 0.0000 | |
| 459 | P | A | -1.3462 | |
| 460 | G | A | -2.0883 | |
| 461 | F | A | 0.0000 | |
| 462 | R | A | -3.3082 | |
| 463 | D | A | -3.0940 | |
| 464 | L | A | 0.0000 | |
| 465 | S | A | -1.9753 | |
| 466 | Q | A | -2.0311 | |
| 467 | H | A | -1.4205 | |
| 468 | D | A | 0.0000 | |
| 469 | Q | A | -1.0311 | |
| 470 | V | A | 0.1103 | |
| 471 | T | A | -0.7269 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | -0.1563 | |
| 474 | K | A | -0.8671 | |
| 475 | A | A | -0.6741 | |
| 476 | G | A | 0.0000 | |
| 477 | T | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | E | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | M | A | 0.0000 | |
| 483 | V | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | F | A | 0.1857 | |
| 486 | A | A | 0.0000 | |
| 487 | S | A | -0.5060 | |
| 488 | L | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | N | A | -2.1665 | |
| 491 | V | A | -2.4965 | |
| 492 | K | A | -3.1059 | |
| 493 | D | A | -3.2695 | |
| 494 | Q | A | -2.7766 | |
| 495 | T | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | M | A | -0.3142 | |
| 498 | F | A | 0.0000 | |
| 499 | L | A | -0.3502 | |
| 500 | S | A | -0.6747 | |
| 501 | R | A | -1.8073 | |
| 502 | T | A | -0.7723 | |
| 503 | T | A | -0.6295 | |
| 504 | Y | A | 0.0000 | |
| 505 | S | A | -1.4309 | |
| 506 | L | A | -1.3797 | |
| 507 | Q | A | -1.4710 | |
| 508 | E | A | -0.9430 | |
| 509 | L | A | 0.0000 | |
| 510 | G | A | -1.1663 | |
| 511 | A | A | -0.1464 | |
| 512 | M | A | 0.0136 | |
| 513 | G | A | -0.7757 | |
| 514 | M | A | 0.0000 | |
| 515 | G | A | -1.6009 | |
| 516 | D | A | -2.3110 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | N | A | -2.2077 | |
| 520 | A | A | -1.7240 | |
| 521 | M | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | D | A | -2.7711 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | E | A | -2.8646 | |
| 527 | K | A | -2.5455 | |
| 528 | L | A | 0.0000 | |
| 529 | N | A | -1.5049 | |
| 530 | S | A | -1.1862 | |
| 531 | L | A | 0.0000 | |
| 532 | A | A | -0.3811 | |
| 533 | L | A | -0.4061 | |
| 534 | T | A | -0.9714 | |
| 535 | E | A | -2.3745 | |
| 536 | E | A | -1.9035 | |
| 537 | E | A | 0.0000 | |
| 538 | L | A | -0.5221 | |
| 539 | G | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | T | A | 0.0000 | |
| 543 | A | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | S | A | 0.0000 | |
| 549 | A | A | -1.8260 | |
| 550 | D | A | -2.0939 | |
| 551 | R | A | 0.0000 | |
| 552 | S | A | -1.0603 | |
| 553 | G | A | -1.3766 | |
| 554 | M | A | -1.6461 | |
| 555 | E | A | -2.6669 | |
| 556 | N | A | -2.1769 | |
| 557 | S | A | -1.9699 | |
| 558 | A | A | -1.3739 | |
| 559 | S | A | -1.9018 | |
| 560 | V | A | 0.0000 | |
| 561 | E | A | -2.7820 | |
| 562 | Q | A | -2.4848 | |
| 563 | L | A | 0.0000 | |
| 564 | Q | A | -1.9915 | |
| 565 | K | A | -2.8714 | |
| 566 | T | A | -1.9955 | |
| 567 | L | A | 0.0000 | |
| 568 | L | A | -1.4419 | |
| 569 | R | A | -2.3698 | |
| 570 | A | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | R | A | -1.4522 | |
| 573 | A | A | -1.3931 | |
| 574 | L | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | L | A | -1.2282 | |
| 577 | K | A | -2.1380 | |
| 578 | N | A | -1.6290 | |
| 579 | R | A | -1.6798 | |
| 580 | P | A | -1.3283 | |
| 581 | S | A | -0.9908 | |
| 582 | E | A | -0.9580 | |
| 583 | T | A | -0.6909 | |
| 584 | S | A | -0.6361 | |
| 585 | R | A | 0.0000 | |
| 586 | F | A | -0.1965 | |
| 587 | T | A | -0.2235 | |
| 588 | K | A | -0.6461 | |
| 589 | L | A | 0.0000 | |
| 590 | L | A | 0.6441 | |
| 591 | L | A | 0.7527 | |
| 592 | K | A | -0.0909 | |
| 593 | L | A | 0.1820 | |
| 594 | P | A | -0.2991 | |
| 595 | D | A | -0.9301 | |
| 596 | L | A | 0.0000 | |
| 597 | R | A | -1.1108 | |
| 598 | T | A | -1.0414 | |
| 599 | L | A | 0.0000 | |
| 600 | N | A | -1.4469 | |
| 601 | N | A | -2.0327 | |
| 602 | M | A | -1.5485 | |
| 603 | H | A | -1.1440 | |
| 604 | S | A | -1.2641 | |
| 605 | E | A | -1.8562 | |
| 606 | K | A | -1.2786 | |
| 607 | L | A | 0.4636 | |
| 608 | L | A | 0.4433 | |
| 609 | S | A | -0.0271 | |
| 610 | F | A | 0.1513 | |
| 611 | R | A | -0.3601 | |
| 612 | V | A | 0.4148 | |
| 613 | D | A | -1.3206 | |
| 614 | A | A | -1.0820 | |
| 615 | Q | A | -1.3590 |
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 | -0.3797 | 6.1744 | View | CSV | PDB |
| 4.5 | -0.428 | 6.1744 | View | CSV | PDB |
| 5.0 | -0.487 | 6.1744 | View | CSV | PDB |
| 5.5 | -0.5451 | 6.1744 | View | CSV | PDB |
| 6.0 | -0.5908 | 6.1744 | View | CSV | PDB |
| 6.5 | -0.6178 | 6.1744 | View | CSV | PDB |
| 7.0 | -0.6272 | 6.1744 | View | CSV | PDB |
| 7.5 | -0.6249 | 6.1744 | View | CSV | PDB |
| 8.0 | -0.616 | 6.1743 | View | CSV | PDB |
| 8.5 | -0.6018 | 6.1741 | View | CSV | PDB |
| 9.0 | -0.581 | 6.1733 | 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