| Chain sequence(s) | MSLSRSEEMHRLTENVYKTIMEQFNPSLRNFIAMGKNYEKALAGVTFAAKGYFDALVKMGELASESQGSKELGDVLFQMAEVHRQIQNQLEEMLKAFHNELLTQLEQKVELDSRYLSAALKKYQTEQRSKGDALDKCQAELKKLRKKSQGSKNPQKYSDKELQYIDAISNKQGELENYVSDGYKTALTEERRRFCFLVEKQCAVAKNSAAYHSKGKELLAQKLPLWQQACADPNKIPDRAAQLMQQMANSNGSILPSALSASKSNLVISDPIPGAKPLPVPPELAPFVGRMSAQENVPVMNGVAGADSEDYNPWADRKAAQPKSLSPPQSQSKLSDSYSNTLPVRKSVTPKNSYATTENKTLPRSSSMAAGLERNGRMRVKAIFSHAAGDNSTLLSFKEGDLITLLVPEARDGWHYGESEKTKMRGWFPFSYTRVLDSDGSDRLHMSLQQGKSSSTGNLLDKDDLALPPPDYGTSSRAFPSQTAGTFKQRPYSVAVPAFSQGLDDYGARSVSRNPFANVHLKPTVTNDRSAPLLS 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7c6deab017fb24/tmp/folded.pdb (00:21:41)
[INFO] Main: Simulation completed successfully. (00:30:50)
|
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 | 0.7614 | |
| 2 | S | A | -0.4975 | |
| 3 | L | A | -0.5050 | |
| 4 | S | A | -1.3516 | |
| 5 | R | A | -2.8745 | |
| 6 | S | A | 0.0000 | |
| 7 | E | A | -3.1439 | |
| 8 | E | A | -3.4077 | |
| 9 | M | A | -2.3614 | |
| 10 | H | A | 0.0000 | |
| 11 | R | A | -2.7755 | |
| 12 | L | A | -1.2185 | |
| 13 | T | A | 0.0000 | |
| 14 | E | A | -1.5864 | |
| 15 | N | A | -1.8163 | |
| 16 | V | A | -1.0042 | |
| 17 | Y | A | 0.0000 | |
| 18 | K | A | -2.0958 | |
| 19 | T | A | -1.8086 | |
| 20 | I | A | 0.0000 | |
| 21 | M | A | -1.5220 | |
| 22 | E | A | -2.5975 | |
| 23 | Q | A | -2.1971 | |
| 24 | F | A | -1.2157 | |
| 25 | N | A | 0.0000 | |
| 26 | P | A | -1.5354 | |
| 27 | S | A | -1.2772 | |
| 28 | L | A | 0.0000 | |
| 29 | R | A | -1.9264 | |
| 30 | N | A | -1.2311 | |
| 31 | F | A | 0.1170 | |
| 32 | I | A | 0.0000 | |
| 33 | A | A | -0.6218 | |
| 34 | M | A | 0.1878 | |
| 35 | G | A | 0.0000 | |
| 36 | K | A | -1.5058 | |
| 37 | N | A | -1.4849 | |
| 38 | Y | A | -0.4776 | |
| 39 | E | A | -1.2582 | |
| 40 | K | A | -1.8994 | |
| 41 | A | A | -0.6142 | |
| 42 | L | A | 0.3057 | |
| 43 | A | A | 0.3352 | |
| 44 | G | A | 0.9424 | |
| 45 | V | A | 1.9365 | |
| 46 | T | A | 1.0671 | |
| 47 | F | A | 2.2519 | |
| 48 | A | A | 1.4713 | |
| 49 | A | A | 0.5290 | |
| 50 | K | A | -0.4890 | |
| 51 | G | A | -0.1605 | |
| 52 | Y | A | 0.3816 | |
| 53 | F | A | 0.0000 | |
| 54 | D | A | -2.0321 | |
| 55 | A | A | -1.1791 | |
| 56 | L | A | 0.0000 | |
| 57 | V | A | -1.0350 | |
| 58 | K | A | -1.6784 | |
| 59 | M | A | -0.2161 | |
| 60 | G | A | 0.0000 | |
| 61 | E | A | -2.1387 | |
| 62 | L | A | -0.3510 | |
| 63 | A | A | -1.7762 | |
| 64 | S | A | -2.7828 | |
| 65 | E | A | -2.5608 | |
| 66 | S | A | -2.1696 | |
| 67 | Q | A | -2.2517 | |
| 68 | G | A | -2.3061 | |
| 69 | S | A | -2.1661 | |
| 70 | K | A | -3.7615 | |
| 71 | E | A | -3.0666 | |
| 72 | L | A | -1.4683 | |
| 73 | G | A | 0.0000 | |
| 74 | D | A | -2.5112 | |
| 75 | V | A | 0.0000 | |
| 76 | L | A | -0.4929 | |
| 77 | F | A | -0.4447 | |
| 78 | Q | A | -0.7053 | |
| 79 | M | A | -0.2180 | |
| 80 | A | A | 0.0000 | |
| 81 | E | A | -1.4163 | |
| 82 | V | A | 0.0000 | |
| 83 | H | A | -1.3500 | |
| 84 | R | A | -2.7491 | |
| 85 | Q | A | -1.9883 | |
| 86 | I | A | -1.5642 | |
| 87 | Q | A | 0.0000 | |
| 88 | N | A | -2.3757 | |
| 89 | Q | A | -2.0672 | |
| 90 | L | A | -1.6452 | |
| 91 | E | A | -2.2184 | |
| 92 | E | A | -2.8037 | |
| 93 | M | A | 0.0000 | |
| 94 | L | A | -1.8773 | |
| 95 | K | A | -3.0192 | |
| 96 | A | A | -2.3625 | |
| 97 | F | A | 0.0000 | |
| 98 | H | A | -2.2076 | |
| 99 | N | A | -2.4369 | |
| 100 | E | A | -2.3513 | |
| 101 | L | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | T | A | -1.9575 | |
| 104 | Q | A | -2.1040 | |
| 105 | L | A | 0.0000 | |
| 106 | E | A | -3.0671 | |
| 107 | Q | A | -2.6325 | |
| 108 | K | A | -2.1323 | |
| 109 | V | A | 0.0000 | |
| 110 | E | A | -2.5842 | |
| 111 | L | A | -0.5640 | |
| 112 | D | A | -0.9003 | |
| 113 | S | A | -0.9496 | |
| 114 | R | A | -1.4240 | |
| 115 | Y | A | 0.0936 | |
| 116 | L | A | 0.0000 | |
| 117 | S | A | -1.1978 | |
| 118 | A | A | -1.2461 | |
| 119 | A | A | -1.1010 | |
| 120 | L | A | -1.3813 | |
| 121 | K | A | -2.7236 | |
| 122 | K | A | -2.9651 | |
| 123 | Y | A | 0.0000 | |
| 124 | Q | A | -2.3094 | |
| 125 | T | A | -2.3032 | |
| 126 | E | A | -2.4048 | |
| 127 | Q | A | -2.6059 | |
| 128 | R | A | -3.1117 | |
| 129 | S | A | -2.2040 | |
| 130 | K | A | -2.8827 | |
| 131 | G | A | -3.1400 | |
| 132 | D | A | -3.7630 | |
| 133 | A | A | -2.6278 | |
| 134 | L | A | 0.0000 | |
| 135 | D | A | -3.6336 | |
| 136 | K | A | -3.5717 | |
| 137 | C | A | -2.2796 | |
| 138 | Q | A | -2.4453 | |
| 139 | A | A | -2.7570 | |
| 140 | E | A | -3.0689 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | -4.0597 | |
| 143 | K | A | -3.9788 | |
| 144 | L | A | -3.6284 | |
| 145 | R | A | -4.5026 | |
| 146 | K | A | -4.7314 | |
| 147 | K | A | -4.0454 | |
| 148 | S | A | -3.7448 | |
| 149 | Q | A | -3.1936 | |
| 150 | G | A | -2.3503 | |
| 151 | S | A | -2.4760 | |
| 152 | K | A | -2.5429 | |
| 153 | N | A | -2.1394 | |
| 154 | P | A | -2.5384 | |
| 155 | Q | A | -2.9214 | |
| 156 | K | A | -3.2284 | |
| 157 | Y | A | -2.4534 | |
| 158 | S | A | -2.3346 | |
| 159 | D | A | -2.7812 | |
| 160 | K | A | -2.4915 | |
| 161 | E | A | -1.9784 | |
| 162 | L | A | -0.2147 | |
| 163 | Q | A | -1.6186 | |
| 164 | Y | A | -0.9865 | |
| 165 | I | A | -0.1304 | |
| 166 | D | A | -1.6292 | |
| 167 | A | A | -1.1765 | |
| 168 | I | A | -1.4506 | |
| 169 | S | A | -1.7416 | |
| 170 | N | A | -2.6754 | |
| 171 | K | A | -3.0158 | |
| 172 | Q | A | -2.6244 | |
| 173 | G | A | -2.7864 | |
| 174 | E | A | -3.4599 | |
| 175 | L | A | 0.0000 | |
| 176 | E | A | -3.3111 | |
| 177 | N | A | -3.0490 | |
| 178 | Y | A | -2.3095 | |
| 179 | V | A | 0.0000 | |
| 180 | S | A | -2.1728 | |
| 181 | D | A | -2.7534 | |
| 182 | G | A | -1.5523 | |
| 183 | Y | A | -1.3896 | |
| 184 | K | A | -2.1263 | |
| 185 | T | A | -1.4406 | |
| 186 | A | A | 0.0000 | |
| 187 | L | A | -1.1574 | |
| 188 | T | A | -1.5935 | |
| 189 | E | A | 0.0000 | |
| 190 | E | A | -1.2855 | |
| 191 | R | A | -2.1833 | |
| 192 | R | A | -1.9119 | |
| 193 | R | A | -0.7719 | |
| 194 | F | A | 0.7693 | |
| 195 | C | A | 0.3101 | |
| 196 | F | A | -0.0325 | |
| 197 | L | A | 0.7462 | |
| 198 | V | A | 1.1834 | |
| 199 | E | A | -0.7788 | |
| 200 | K | A | -1.0800 | |
| 201 | Q | A | -1.0344 | |
| 202 | C | A | -0.7459 | |
| 203 | A | A | -1.2248 | |
| 204 | V | A | 0.0000 | |
| 205 | A | A | -1.2209 | |
| 206 | K | A | -1.8606 | |
| 207 | N | A | -1.6854 | |
| 208 | S | A | -1.0788 | |
| 209 | A | A | -1.0513 | |
| 210 | A | A | -1.2596 | |
| 211 | Y | A | -1.5143 | |
| 212 | H | A | -1.8254 | |
| 213 | S | A | -1.9813 | |
| 214 | K | A | -2.1149 | |
| 215 | G | A | -1.9736 | |
| 216 | K | A | -3.0622 | |
| 217 | E | A | -3.2568 | |
| 218 | L | A | -1.6225 | |
| 219 | L | A | -0.9452 | |
| 220 | A | A | -1.1851 | |
| 221 | Q | A | -1.4926 | |
| 222 | K | A | -0.4716 | |
| 223 | L | A | 0.6947 | |
| 224 | P | A | -0.1088 | |
| 225 | L | A | 0.4442 | |
| 226 | W | A | 0.0000 | |
| 227 | Q | A | -1.2049 | |
| 228 | Q | A | -1.3189 | |
| 229 | A | A | -1.1932 | |
| 230 | C | A | -1.1147 | |
| 231 | A | A | -1.5828 | |
| 232 | D | A | -2.7488 | |
| 233 | P | A | -1.8740 | |
| 234 | N | A | -2.2848 | |
| 235 | K | A | -2.2738 | |
| 236 | I | A | -0.6247 | |
| 237 | P | A | -1.8518 | |
| 238 | D | A | -2.6036 | |
| 239 | R | A | -2.8309 | |
| 240 | A | A | -1.4051 | |
| 241 | A | A | -1.4542 | |
| 242 | Q | A | -2.0704 | |
| 243 | L | A | -0.5728 | |
| 244 | M | A | -0.4040 | |
| 245 | Q | A | -1.7443 | |
| 246 | Q | A | -1.6600 | |
| 247 | M | A | -0.4095 | |
| 248 | A | A | -1.1827 | |
| 249 | N | A | -2.1682 | |
| 250 | S | A | -1.7009 | |
| 251 | N | A | -1.5664 | |
| 252 | G | A | -0.7795 | |
| 253 | S | A | 0.3149 | |
| 254 | I | A | 2.2238 | |
| 255 | L | A | 2.2565 | |
| 256 | P | A | 0.8617 | |
| 257 | S | A | 0.5658 | |
| 258 | A | A | 0.7555 | |
| 259 | L | A | 1.4315 | |
| 260 | S | A | 0.3489 | |
| 261 | A | A | -0.1467 | |
| 262 | S | A | -1.2605 | |
| 263 | K | A | -2.2049 | |
| 264 | S | A | -1.2199 | |
| 265 | N | A | -0.3517 | |
| 266 | L | A | 2.2176 | |
| 267 | V | A | 2.9160 | |
| 268 | I | A | 2.5556 | |
| 269 | S | A | 0.1370 | |
| 270 | D | A | -0.9569 | |
| 271 | P | A | -0.0746 | |
| 272 | I | A | 1.2796 | |
| 273 | P | A | 0.0321 | |
| 274 | G | A | -0.5182 | |
| 275 | A | A | -0.6149 | |
| 276 | K | A | -1.5906 | |
| 277 | P | A | -0.2087 | |
| 278 | L | A | 1.3031 | |
| 279 | P | A | 0.9860 | |
| 280 | V | A | 1.5865 | |
| 281 | P | A | 0.1800 | |
| 282 | P | A | -0.4794 | |
| 283 | E | A | -1.0818 | |
| 284 | L | A | 0.7842 | |
| 285 | A | A | 0.8953 | |
| 286 | P | A | 1.2409 | |
| 287 | F | A | 2.5524 | |
| 288 | V | A | 2.1450 | |
| 289 | G | A | 0.1424 | |
| 290 | R | A | -0.9971 | |
| 291 | M | A | 0.1563 | |
| 292 | S | A | -0.3168 | |
| 293 | A | A | -0.8043 | |
| 294 | Q | A | -2.3950 | |
| 295 | E | A | -2.6539 | |
| 296 | N | A | -1.5564 | |
| 297 | V | A | 1.0119 | |
| 298 | P | A | 1.3800 | |
| 299 | V | A | 2.2717 | |
| 300 | M | A | 1.1036 | |
| 301 | N | A | -0.2412 | |
| 302 | G | A | 0.0102 | |
| 303 | V | A | 1.1769 | |
| 304 | A | A | 0.6584 | |
| 305 | G | A | -0.3578 | |
| 306 | A | A | -1.1665 | |
| 307 | D | A | -2.3398 | |
| 308 | S | A | -2.4131 | |
| 309 | E | A | -2.9595 | |
| 310 | D | A | -2.3883 | |
| 311 | Y | A | -0.6283 | |
| 312 | N | A | -0.8837 | |
| 313 | P | A | -0.0422 | |
| 314 | W | A | 0.4432 | |
| 315 | A | A | -0.8029 | |
| 316 | D | A | -2.7570 | |
| 317 | R | A | -3.6064 | |
| 318 | K | A | -3.0063 | |
| 319 | A | A | -1.5399 | |
| 320 | A | A | -0.9073 | |
| 321 | Q | A | -1.6431 | |
| 322 | P | A | -1.7600 | |
| 323 | K | A | -1.8341 | |
| 324 | S | A | -0.3853 | |
| 325 | L | A | 0.9169 | |
| 326 | S | A | 0.3049 | |
| 327 | P | A | -0.4071 | |
| 328 | P | A | -1.0410 | |
| 329 | Q | A | -1.7698 | |
| 330 | S | A | -1.5222 | |
| 331 | Q | A | -2.0698 | |
| 332 | S | A | -1.3706 | |
| 333 | K | A | -1.5024 | |
| 334 | L | A | 0.0760 | |
| 335 | S | A | -0.6423 | |
| 336 | D | A | -1.5002 | |
| 337 | S | A | -0.5290 | |
| 338 | Y | A | 0.3492 | |
| 339 | S | A | -0.2919 | |
| 340 | N | A | -0.7711 | |
| 341 | T | A | 0.3245 | |
| 342 | L | A | 1.4572 | |
| 343 | P | A | 0.7227 | |
| 344 | V | A | 0.6426 | |
| 345 | R | A | -1.9167 | |
| 346 | K | A | -1.8782 | |
| 347 | S | A | -0.4276 | |
| 348 | V | A | 1.1978 | |
| 349 | T | A | 0.0755 | |
| 350 | P | A | -0.9889 | |
| 351 | K | A | -2.5670 | |
| 352 | N | A | -2.0890 | |
| 353 | S | A | -0.5890 | |
| 354 | Y | A | 0.9730 | |
| 355 | A | A | 0.6445 | |
| 356 | T | A | -0.2118 | |
| 357 | T | A | -1.4396 | |
| 358 | E | A | -2.9088 | |
| 359 | N | A | -2.8268 | |
| 360 | K | A | -2.4394 | |
| 361 | T | A | -0.5927 | |
| 362 | L | A | 0.3870 | |
| 363 | P | A | -0.7591 | |
| 364 | R | A | -1.8470 | |
| 365 | S | A | -1.1938 | |
| 366 | S | A | -0.7684 | |
| 367 | S | A | -0.0639 | |
| 368 | M | A | 1.0389 | |
| 369 | A | A | 0.6487 | |
| 370 | A | A | 0.2242 | |
| 371 | G | A | -0.2329 | |
| 372 | L | A | -0.1661 | |
| 373 | E | A | -2.4746 | |
| 374 | R | A | -3.4323 | |
| 375 | N | A | -2.9544 | |
| 376 | G | A | -2.3664 | |
| 377 | R | A | -2.4956 | |
| 378 | M | A | -0.7894 | |
| 379 | R | A | -1.1043 | |
| 380 | V | A | 0.0000 | |
| 381 | K | A | -0.8410 | |
| 382 | A | A | 0.0000 | |
| 383 | I | A | 0.0220 | |
| 384 | F | A | 0.6803 | |
| 385 | S | A | -0.6872 | |
| 386 | H | A | -0.3744 | |
| 387 | A | A | -0.7502 | |
| 388 | A | A | -0.8537 | |
| 389 | G | A | -1.5705 | |
| 390 | D | A | -2.4247 | |
| 391 | N | A | -1.8100 | |
| 392 | S | A | -1.2052 | |
| 393 | T | A | -0.6058 | |
| 394 | L | A | -0.3945 | |
| 395 | L | A | 0.0000 | |
| 396 | S | A | -0.6687 | |
| 397 | F | A | 0.0000 | |
| 398 | K | A | -2.4290 | |
| 399 | E | A | -1.9574 | |
| 400 | G | A | -1.2473 | |
| 401 | D | A | 0.0000 | |
| 402 | L | A | -1.1574 | |
| 403 | I | A | 0.0000 | |
| 404 | T | A | -1.0030 | |
| 405 | L | A | 0.0000 | |
| 406 | L | A | -0.2848 | |
| 407 | V | A | -0.1991 | |
| 408 | P | A | -1.1595 | |
| 409 | E | A | -2.1018 | |
| 410 | A | A | -1.5879 | |
| 411 | R | A | -2.8071 | |
| 412 | D | A | -2.7157 | |
| 413 | G | A | -1.3700 | |
| 414 | W | A | -0.3494 | |
| 415 | H | A | 0.0000 | |
| 416 | Y | A | 0.1782 | |
| 417 | G | A | 0.0000 | |
| 418 | E | A | -1.6780 | |
| 419 | S | A | 0.0000 | |
| 420 | E | A | -2.4549 | |
| 421 | K | A | -2.6998 | |
| 422 | T | A | -1.9805 | |
| 423 | K | A | -2.6567 | |
| 424 | M | A | -1.4646 | |
| 425 | R | A | -1.9064 | |
| 426 | G | A | 0.0000 | |
| 427 | W | A | 0.5156 | |
| 428 | F | A | 0.0000 | |
| 429 | P | A | 0.8085 | |
| 430 | F | A | 0.7685 | |
| 431 | S | A | 0.7922 | |
| 432 | Y | A | 0.7672 | |
| 433 | T | A | 0.0000 | |
| 434 | R | A | -0.7645 | |
| 435 | V | A | 0.1600 | |
| 436 | L | A | -0.4667 | |
| 437 | D | A | -2.0299 | |
| 438 | S | A | -1.7647 | |
| 439 | D | A | -2.7720 | |
| 440 | G | A | -2.3901 | |
| 441 | S | A | -2.2149 | |
| 442 | D | A | -2.8588 | |
| 443 | R | A | -2.1096 | |
| 444 | L | A | -0.0958 | |
| 445 | H | A | -0.2800 | |
| 446 | M | A | 0.9079 | |
| 447 | S | A | 0.4007 | |
| 448 | L | A | 0.6476 | |
| 449 | Q | A | -1.2552 | |
| 450 | Q | A | -2.0498 | |
| 451 | G | A | -2.0351 | |
| 452 | K | A | -2.4738 | |
| 453 | S | A | -1.4008 | |
| 454 | S | A | -0.8020 | |
| 455 | S | A | -0.5009 | |
| 456 | T | A | -0.5975 | |
| 457 | G | A | -0.8495 | |
| 458 | N | A | -0.5410 | |
| 459 | L | A | 0.9450 | |
| 460 | L | A | 0.7371 | |
| 461 | D | A | -2.0912 | |
| 462 | K | A | -3.3089 | |
| 463 | D | A | -3.5715 | |
| 464 | D | A | -2.1193 | |
| 465 | L | A | 0.4531 | |
| 466 | A | A | 1.0286 | |
| 467 | L | A | 1.5041 | |
| 468 | P | A | 0.0896 | |
| 469 | P | A | -0.4218 | |
| 470 | P | A | -0.8454 | |
| 471 | D | A | -1.5155 | |
| 472 | Y | A | 0.0826 | |
| 473 | G | A | -0.5007 | |
| 474 | T | A | -0.5470 | |
| 475 | S | A | -0.8124 | |
| 476 | S | A | -1.0666 | |
| 477 | R | A | -1.5504 | |
| 478 | A | A | -0.0607 | |
| 479 | F | A | 1.2123 | |
| 480 | P | A | 0.1209 | |
| 481 | S | A | -0.5131 | |
| 482 | Q | A | -1.2331 | |
| 483 | T | A | -0.8616 | |
| 484 | A | A | -0.5064 | |
| 485 | G | A | -0.2118 | |
| 486 | T | A | 0.3156 | |
| 487 | F | A | 0.7510 | |
| 488 | K | A | -1.7353 | |
| 489 | Q | A | -2.6794 | |
| 490 | R | A | -2.6515 | |
| 491 | P | A | -0.8172 | |
| 492 | Y | A | 1.0687 | |
| 493 | S | A | 1.4469 | |
| 494 | V | A | 2.3497 | |
| 495 | A | A | 1.7636 | |
| 496 | V | A | 2.0342 | |
| 497 | P | A | 0.9926 | |
| 498 | A | A | 1.1684 | |
| 499 | F | A | 1.5688 | |
| 500 | S | A | 0.1047 | |
| 501 | Q | A | -0.8425 | |
| 502 | G | A | -0.7870 | |
| 503 | L | A | -0.1781 | |
| 504 | D | A | -1.8424 | |
| 505 | D | A | -1.9256 | |
| 506 | Y | A | -0.1349 | |
| 507 | G | A | -0.4676 | |
| 508 | A | A | -0.6542 | |
| 509 | R | A | -1.5391 | |
| 510 | S | A | -0.6183 | |
| 511 | V | A | 0.3866 | |
| 512 | S | A | -0.8741 | |
| 513 | R | A | -1.8796 | |
| 514 | N | A | -1.6667 | |
| 515 | P | A | -0.4152 | |
| 516 | F | A | 1.2013 | |
| 517 | A | A | -0.0923 | |
| 518 | N | A | -0.1068 | |
| 519 | V | A | 1.4873 | |
| 520 | H | A | 0.0617 | |
| 521 | L | A | 0.5055 | |
| 522 | K | A | -0.9247 | |
| 523 | P | A | -0.3768 | |
| 524 | T | A | 0.2804 | |
| 525 | V | A | 0.8755 | |
| 526 | T | A | -0.6332 | |
| 527 | N | A | -2.2714 | |
| 528 | D | A | -3.1402 | |
| 529 | R | A | -3.1950 | |
| 530 | S | A | -1.6298 | |
| 531 | A | A | -0.3731 | |
| 532 | P | A | 0.6332 | |
| 533 | L | A | 2.1116 | |
| 534 | L | A | 2.1370 | |
| 535 | S | A | 0.9077 |
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 | -0.7237 | 5.7005 | View | CSV | PDB |
| 4.5 | -0.8068 | 5.7005 | View | CSV | PDB |
| 5.0 | -0.9075 | 5.7005 | View | CSV | PDB |
| 5.5 | -1.0049 | 5.7005 | View | CSV | PDB |
| 6.0 | -1.0769 | 5.7005 | View | CSV | PDB |
| 6.5 | -1.1088 | 5.7005 | View | CSV | PDB |
| 7.0 | -1.1016 | 5.7005 | View | CSV | PDB |
| 7.5 | -1.0672 | 5.7005 | View | CSV | PDB |
| 8.0 | -1.0169 | 5.7005 | View | CSV | PDB |
| 8.5 | -0.9548 | 5.7005 | View | CSV | PDB |
| 9.0 | -0.8798 | 5.7005 | 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