| Chain sequence(s) | MRRNATLTPELGETFLVLERSSTHWWLAARARSGETGYVPPAYLHRLQGMEQDVLQAIDRAIEAVHNTAMRDGGKYSLEQRGVLQKLIHHRKETLSRRGTSAASASVMTPSTSDHHLDTAVSRQPNGVCRTGFERQHSLPSSEHLGTDGALYQVPPQPRRAAPATPPPPVKRRDREALVISGSGGRTAVPSGGSSVSSGSSVSSTSMDTLYTGSSPSELGPSCSPTPPPVPRRSAHTTVSQAQPSPSKAPSPEPPAEEVAAETNSAPDDLEALDALSPETTEEKPATETVVPRTIGAELMELVRRNTGLSHELCRVAIGVVVGHIQASVPASSPVMEQVLLSLVEGKDLSTALPSGQVCHDQQRLEVIFADLARRKDDAQQRSWALYEDEDVIRCYLEELLHILTDADPEVCKKMCKRSDFESVLALVAYYQMEHRASLRLLLLKCFGAMCSLDAAIISTLVSSVLPVELARDMQTDTQDHQKLCYSALVLAMVFSMGEAVPYAHYEHLGTPFAQFLLSIVEDGLPLDATEQLPDLCMNLLLALNLHLTAPDQNVIMAALSKHTNVKIFSEKLLLLLNRGDDPVRIFRHEPQPPHSVLKFLQDVFSSAATASIFYHTDMMALIDITVRQIADLSPGDKLRMEYLSLMHAVVRSTPYLQHRHRLSDLQATLRRILTEEETSPQCQMDRMIVQEMYKEFPDLGEVPS 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[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 (00:27:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/158aee6899c3b7/tmp/folded.pdb (00:27:08)
[INFO] Main: Simulation completed successfully. (00:41:32)
|
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 | -0.3142 | |
| 2 | R | A | -2.3700 | |
| 3 | R | A | -2.7854 | |
| 4 | N | A | -1.9536 | |
| 5 | A | A | -1.0875 | |
| 6 | T | A | -0.3722 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | -0.4104 | |
| 9 | P | A | -0.4962 | |
| 10 | E | A | -1.2030 | |
| 11 | L | A | 0.5093 | |
| 12 | G | A | -0.3393 | |
| 13 | E | A | -1.0166 | |
| 14 | T | A | -0.7289 | |
| 15 | F | A | -0.3517 | |
| 16 | L | A | 0.0000 | |
| 17 | V | A | -0.3968 | |
| 18 | L | A | 0.0000 | |
| 19 | E | A | -2.0508 | |
| 20 | R | A | -2.4176 | |
| 21 | S | A | -1.4340 | |
| 22 | S | A | -1.0973 | |
| 23 | T | A | -0.8588 | |
| 24 | H | A | -1.1002 | |
| 25 | W | A | -0.5926 | |
| 26 | W | A | -0.8056 | |
| 27 | L | A | -0.4761 | |
| 28 | A | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | R | A | -1.2897 | |
| 31 | A | A | 0.0000 | |
| 32 | R | A | -2.4583 | |
| 33 | S | A | -1.8601 | |
| 34 | G | A | 0.0000 | |
| 35 | E | A | -1.7300 | |
| 36 | T | A | -0.5153 | |
| 37 | G | A | 0.0000 | |
| 38 | Y | A | -0.1781 | |
| 39 | V | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | P | A | -0.1252 | |
| 42 | A | A | 0.4705 | |
| 43 | Y | A | 1.2253 | |
| 44 | L | A | 0.4067 | |
| 45 | H | A | -1.1344 | |
| 46 | R | A | -1.7603 | |
| 47 | L | A | -0.1319 | |
| 48 | Q | A | -1.0472 | |
| 49 | G | A | -1.0424 | |
| 50 | M | A | -0.5111 | |
| 51 | E | A | -2.0467 | |
| 52 | Q | A | -2.1588 | |
| 53 | D | A | -2.4752 | |
| 54 | V | A | -1.5939 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | -2.3699 | |
| 57 | A | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | D | A | -1.6877 | |
| 60 | R | A | -2.3078 | |
| 61 | A | A | 0.0000 | |
| 62 | I | A | -1.4197 | |
| 63 | E | A | -2.5910 | |
| 64 | A | A | -1.7751 | |
| 65 | V | A | 0.0000 | |
| 66 | H | A | -2.1190 | |
| 67 | N | A | -2.1211 | |
| 68 | T | A | -2.2100 | |
| 69 | A | A | 0.0000 | |
| 70 | M | A | -1.9291 | |
| 71 | R | A | -3.1648 | |
| 72 | D | A | -3.3693 | |
| 73 | G | A | -2.3445 | |
| 74 | G | A | -2.2244 | |
| 75 | K | A | -2.4228 | |
| 76 | Y | A | -1.3302 | |
| 77 | S | A | -0.8444 | |
| 78 | L | A | 0.1276 | |
| 79 | E | A | -1.5839 | |
| 80 | Q | A | -1.2664 | |
| 81 | R | A | -0.9789 | |
| 82 | G | A | -1.1880 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | -0.7632 | |
| 85 | Q | A | -1.0442 | |
| 86 | K | A | -1.4903 | |
| 87 | L | A | 0.0000 | |
| 88 | I | A | -0.7765 | |
| 89 | H | A | -2.0653 | |
| 90 | H | A | -1.6526 | |
| 91 | R | A | -1.7809 | |
| 92 | K | A | -2.4721 | |
| 93 | E | A | -3.1664 | |
| 94 | T | A | 0.0000 | |
| 95 | L | A | -1.9987 | |
| 96 | S | A | -2.3768 | |
| 97 | R | A | -3.2297 | |
| 98 | R | A | -2.7970 | |
| 99 | G | A | -1.7876 | |
| 100 | T | A | -1.3355 | |
| 101 | S | A | -1.2726 | |
| 102 | A | A | -0.7042 | |
| 103 | A | A | -0.3319 | |
| 104 | S | A | -0.0350 | |
| 105 | A | A | 0.3232 | |
| 106 | S | A | 0.8346 | |
| 107 | V | A | 2.1481 | |
| 108 | M | A | 1.7823 | |
| 109 | T | A | 0.6749 | |
| 110 | P | A | -0.1667 | |
| 111 | S | A | -0.4267 | |
| 112 | T | A | -0.7122 | |
| 113 | S | A | -1.3477 | |
| 114 | D | A | -2.5912 | |
| 115 | H | A | -2.0918 | |
| 116 | H | A | -1.5278 | |
| 117 | L | A | -0.1500 | |
| 118 | D | A | -1.1582 | |
| 119 | T | A | -0.2254 | |
| 120 | A | A | 0.4514 | |
| 121 | V | A | 1.3126 | |
| 122 | S | A | -0.5421 | |
| 123 | R | A | -2.2280 | |
| 124 | Q | A | -2.5420 | |
| 125 | P | A | -2.0304 | |
| 126 | N | A | -1.4796 | |
| 127 | G | A | -0.1216 | |
| 128 | V | A | 1.2477 | |
| 129 | C | A | 0.6042 | |
| 130 | R | A | -1.2644 | |
| 131 | T | A | -0.7272 | |
| 132 | G | A | -0.3044 | |
| 133 | F | A | 0.4063 | |
| 134 | E | A | -2.1658 | |
| 135 | R | A | -3.1445 | |
| 136 | Q | A | -3.0359 | |
| 137 | H | A | -1.7698 | |
| 138 | S | A | -0.3243 | |
| 139 | L | A | 1.0741 | |
| 140 | P | A | 0.1211 | |
| 141 | S | A | -0.7096 | |
| 142 | S | A | -1.4873 | |
| 143 | E | A | -2.2308 | |
| 144 | H | A | -1.3589 | |
| 145 | L | A | 0.3928 | |
| 146 | G | A | -0.3842 | |
| 147 | T | A | -0.8974 | |
| 148 | D | A | -2.0237 | |
| 149 | G | A | -1.0251 | |
| 150 | A | A | 0.0927 | |
| 151 | L | A | 1.6277 | |
| 152 | Y | A | 1.8484 | |
| 153 | Q | A | 0.6210 | |
| 154 | V | A | 1.3314 | |
| 155 | P | A | -0.0780 | |
| 156 | P | A | -1.1628 | |
| 157 | Q | A | -2.0149 | |
| 158 | P | A | -2.3415 | |
| 159 | R | A | -3.2282 | |
| 160 | R | A | -2.9742 | |
| 161 | A | A | -1.4759 | |
| 162 | A | A | -0.8138 | |
| 163 | P | A | -0.4792 | |
| 164 | A | A | -0.1778 | |
| 165 | T | A | -0.3226 | |
| 166 | P | A | -0.5322 | |
| 167 | P | A | -0.3330 | |
| 168 | P | A | -0.3413 | |
| 169 | P | A | -0.3112 | |
| 170 | V | A | 0.0582 | |
| 171 | K | A | -2.5070 | |
| 172 | R | A | -3.7109 | |
| 173 | R | A | -4.2643 | |
| 174 | D | A | -4.7455 | |
| 175 | R | A | -4.3301 | |
| 176 | E | A | -2.7818 | |
| 177 | A | A | -0.1809 | |
| 178 | L | A | 2.4964 | |
| 179 | V | A | 3.5140 | |
| 180 | I | A | 3.0272 | |
| 181 | S | A | 0.8466 | |
| 182 | G | A | -0.4308 | |
| 183 | S | A | -0.8416 | |
| 184 | G | A | -1.3356 | |
| 185 | G | A | -1.7178 | |
| 186 | R | A | -2.1928 | |
| 187 | T | A | -0.8281 | |
| 188 | A | A | 0.4358 | |
| 189 | V | A | 1.6059 | |
| 190 | P | A | 0.5068 | |
| 191 | S | A | -0.3266 | |
| 192 | G | A | -0.9080 | |
| 193 | G | A | -0.8932 | |
| 194 | S | A | -0.3062 | |
| 195 | S | A | 0.3511 | |
| 196 | V | A | 1.4751 | |
| 197 | S | A | 0.4552 | |
| 198 | S | A | -0.2220 | |
| 199 | G | A | -0.5541 | |
| 200 | S | A | -0.1492 | |
| 201 | S | A | 0.3473 | |
| 202 | V | A | 1.3946 | |
| 203 | S | A | 0.4175 | |
| 204 | S | A | 0.1221 | |
| 205 | T | A | 0.0897 | |
| 206 | S | A | -0.2082 | |
| 207 | M | A | 0.0241 | |
| 208 | D | A | -1.0263 | |
| 209 | T | A | 0.3120 | |
| 210 | L | A | 1.8017 | |
| 211 | Y | A | 1.9903 | |
| 212 | T | A | 0.6221 | |
| 213 | G | A | -0.3824 | |
| 214 | S | A | -0.6092 | |
| 215 | S | A | -0.5740 | |
| 216 | P | A | -0.8800 | |
| 217 | S | A | -0.9595 | |
| 218 | E | A | -1.3393 | |
| 219 | L | A | 0.3153 | |
| 220 | G | A | -0.2424 | |
| 221 | P | A | -0.0768 | |
| 222 | S | A | 0.0044 | |
| 223 | C | A | 0.3463 | |
| 224 | S | A | -0.1070 | |
| 225 | P | A | -0.3326 | |
| 226 | T | A | -0.3757 | |
| 227 | P | A | -0.3530 | |
| 228 | P | A | -0.1648 | |
| 229 | P | A | 0.1254 | |
| 230 | V | A | 0.7906 | |
| 231 | P | A | -0.9039 | |
| 232 | R | A | -2.5056 | |
| 233 | R | A | -2.7929 | |
| 234 | S | A | -1.8168 | |
| 235 | A | A | -1.2107 | |
| 236 | H | A | -1.2502 | |
| 237 | T | A | -0.2213 | |
| 238 | T | A | 0.5147 | |
| 239 | V | A | 1.3756 | |
| 240 | S | A | 0.0187 | |
| 241 | Q | A | -1.1610 | |
| 242 | A | A | -1.2012 | |
| 243 | Q | A | -1.6304 | |
| 244 | P | A | -1.0528 | |
| 245 | S | A | -0.8129 | |
| 246 | P | A | -1.0092 | |
| 247 | S | A | -1.2556 | |
| 248 | K | A | -1.8936 | |
| 249 | A | A | -1.0773 | |
| 250 | P | A | -0.7495 | |
| 251 | S | A | -0.8583 | |
| 252 | P | A | -1.4235 | |
| 253 | E | A | -2.1685 | |
| 254 | P | A | -1.2559 | |
| 255 | P | A | -1.0279 | |
| 256 | A | A | -1.3719 | |
| 257 | E | A | -2.3846 | |
| 258 | E | A | -1.7877 | |
| 259 | V | A | 0.4188 | |
| 260 | A | A | 0.1099 | |
| 261 | A | A | -0.5551 | |
| 262 | E | A | -2.0715 | |
| 263 | T | A | -1.6618 | |
| 264 | N | A | -1.7797 | |
| 265 | S | A | -0.8627 | |
| 266 | A | A | -0.7943 | |
| 267 | P | A | -1.4580 | |
| 268 | D | A | -2.4372 | |
| 269 | D | A | -2.2542 | |
| 270 | L | A | -0.6389 | |
| 271 | E | A | -1.0875 | |
| 272 | A | A | -0.2754 | |
| 273 | L | A | 0.3253 | |
| 274 | D | A | -0.6358 | |
| 275 | A | A | 0.1412 | |
| 276 | L | A | 0.9863 | |
| 277 | S | A | 0.0988 | |
| 278 | P | A | -0.9184 | |
| 279 | E | A | -2.2290 | |
| 280 | T | A | -1.5790 | |
| 281 | T | A | -2.0885 | |
| 282 | E | A | -3.3313 | |
| 283 | E | A | -3.5890 | |
| 284 | K | A | -3.1258 | |
| 285 | P | A | -1.7170 | |
| 286 | A | A | -1.1359 | |
| 287 | T | A | -0.9540 | |
| 288 | E | A | -1.3782 | |
| 289 | T | A | -0.0053 | |
| 290 | V | A | 1.0511 | |
| 291 | V | A | 0.2516 | |
| 292 | P | A | -0.5311 | |
| 293 | R | A | -1.7784 | |
| 294 | T | A | -0.8378 | |
| 295 | I | A | -0.2546 | |
| 296 | G | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | E | A | -0.2516 | |
| 299 | L | A | 0.4465 | |
| 300 | M | A | 0.0000 | |
| 301 | E | A | -0.2127 | |
| 302 | L | A | 0.3968 | |
| 303 | V | A | -0.0903 | |
| 304 | R | A | 0.0000 | |
| 305 | R | A | -2.1079 | |
| 306 | N | A | -1.8161 | |
| 307 | T | A | -0.9876 | |
| 308 | G | A | -1.0354 | |
| 309 | L | A | -0.1939 | |
| 310 | S | A | -0.4961 | |
| 311 | H | A | -0.7175 | |
| 312 | E | A | -1.1289 | |
| 313 | L | A | 0.6801 | |
| 314 | C | A | 0.0000 | |
| 315 | R | A | 0.4545 | |
| 316 | V | A | 1.9798 | |
| 317 | A | A | 1.6105 | |
| 318 | I | A | 0.0000 | |
| 319 | G | A | 1.5806 | |
| 320 | V | A | 2.2881 | |
| 321 | V | A | 2.1458 | |
| 322 | V | A | 0.0000 | |
| 323 | G | A | 0.4989 | |
| 324 | H | A | 0.3121 | |
| 325 | I | A | 1.0589 | |
| 326 | Q | A | 0.3716 | |
| 327 | A | A | 0.0486 | |
| 328 | S | A | 0.2799 | |
| 329 | V | A | 1.0987 | |
| 330 | P | A | 0.3679 | |
| 331 | A | A | 0.3710 | |
| 332 | S | A | 0.3201 | |
| 333 | S | A | -0.1293 | |
| 334 | P | A | -0.5166 | |
| 335 | V | A | 0.3609 | |
| 336 | M | A | 0.0814 | |
| 337 | E | A | -0.8594 | |
| 338 | Q | A | -0.4697 | |
| 339 | V | A | 0.0000 | |
| 340 | L | A | 0.5283 | |
| 341 | L | A | 0.4548 | |
| 342 | S | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | V | A | 0.7853 | |
| 345 | E | A | -1.6241 | |
| 346 | G | A | -1.7167 | |
| 347 | K | A | -2.6241 | |
| 348 | D | A | -2.5963 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | -0.8571 | |
| 351 | T | A | -0.6784 | |
| 352 | A | A | -1.0132 | |
| 353 | L | A | -0.4414 | |
| 354 | P | A | -0.4265 | |
| 355 | S | A | -0.5363 | |
| 356 | G | A | -0.6994 | |
| 357 | Q | A | -0.7565 | |
| 358 | V | A | 0.7473 | |
| 359 | C | A | -0.1154 | |
| 360 | H | A | -0.8957 | |
| 361 | D | A | 0.0000 | |
| 362 | Q | A | -0.6721 | |
| 363 | Q | A | -0.8323 | |
| 364 | R | A | -0.9592 | |
| 365 | L | A | 0.0000 | |
| 366 | E | A | -0.9178 | |
| 367 | V | A | -0.1591 | |
| 368 | I | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | A | A | -0.8743 | |
| 371 | D | A | -1.3866 | |
| 372 | L | A | 0.0000 | |
| 373 | A | A | -1.8830 | |
| 374 | R | A | -3.1966 | |
| 375 | R | A | -2.9511 | |
| 376 | K | A | -2.5871 | |
| 377 | D | A | -3.6549 | |
| 378 | D | A | -3.7776 | |
| 379 | A | A | -2.6225 | |
| 380 | Q | A | -3.0119 | |
| 381 | Q | A | -3.0945 | |
| 382 | R | A | -2.3806 | |
| 383 | S | A | -0.6093 | |
| 384 | W | A | 0.7202 | |
| 385 | A | A | -0.0650 | |
| 386 | L | A | 0.0389 | |
| 387 | Y | A | 0.5047 | |
| 388 | E | A | -1.0671 | |
| 389 | D | A | 0.0000 | |
| 390 | E | A | -0.9653 | |
| 391 | D | A | -0.9947 | |
| 392 | V | A | 0.1951 | |
| 393 | I | A | 0.0000 | |
| 394 | R | A | -1.5738 | |
| 395 | C | A | -0.3944 | |
| 396 | Y | A | -0.4434 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -2.0798 | |
| 399 | E | A | -1.4377 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | -0.9197 | |
| 402 | H | A | -1.1760 | |
| 403 | I | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | T | A | -0.5838 | |
| 406 | D | A | -0.8082 | |
| 407 | A | A | 0.0000 | |
| 408 | D | A | -1.2103 | |
| 409 | P | A | -1.1840 | |
| 410 | E | A | -1.9314 | |
| 411 | V | A | 0.0000 | |
| 412 | C | A | 0.0000 | |
| 413 | K | A | -1.5002 | |
| 414 | K | A | -1.7251 | |
| 415 | M | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | K | A | -2.6180 | |
| 418 | R | A | -3.2994 | |
| 419 | S | A | -2.6657 | |
| 420 | D | A | -2.9713 | |
| 421 | F | A | -2.2880 | |
| 422 | E | A | -2.6157 | |
| 423 | S | A | -1.4356 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | 0.0582 | |
| 426 | A | A | -0.5386 | |
| 427 | L | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | A | A | 0.0729 | |
| 430 | Y | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | Q | A | -0.3997 | |
| 433 | M | A | -0.4192 | |
| 434 | E | A | 0.0000 | |
| 435 | H | A | -1.0599 | |
| 436 | R | A | -0.5299 | |
| 437 | A | A | -0.5764 | |
| 438 | S | A | -0.4692 | |
| 439 | L | A | 0.0000 | |
| 440 | R | A | 0.0000 | |
| 441 | L | A | -0.0860 | |
| 442 | L | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | K | A | -0.6436 | |
| 446 | C | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | G | A | -0.1697 | |
| 449 | A | A | -0.3465 | |
| 450 | M | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | S | A | -0.3555 | |
| 453 | L | A | 0.0000 | |
| 454 | D | A | -1.0359 | |
| 455 | A | A | -0.7958 | |
| 456 | A | A | -0.3846 | |
| 457 | I | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | S | A | -0.2249 | |
| 460 | T | A | -0.1429 | |
| 461 | L | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | S | A | -0.0813 | |
| 464 | S | A | 0.4441 | |
| 465 | V | A | 0.8350 | |
| 466 | L | A | 0.0000 | |
| 467 | P | A | 0.0000 | |
| 468 | V | A | -0.3084 | |
| 469 | E | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | R | A | -1.7673 | |
| 473 | D | A | -1.3269 | |
| 474 | M | A | 0.0000 | |
| 475 | Q | A | -1.9499 | |
| 476 | T | A | -1.4624 | |
| 477 | D | A | -1.7235 | |
| 478 | T | A | -1.4276 | |
| 479 | Q | A | -1.8575 | |
| 480 | D | A | -1.5790 | |
| 481 | H | A | -1.3220 | |
| 482 | Q | A | -1.4040 | |
| 483 | K | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | C | A | -0.3846 | |
| 486 | Y | A | 0.1504 | |
| 487 | S | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | L | A | 0.5099 | |
| 490 | V | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | M | A | 0.3543 | |
| 494 | V | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | S | A | 0.0000 | |
| 497 | M | A | -0.6384 | |
| 498 | G | A | -0.5461 | |
| 499 | E | A | -0.5374 | |
| 500 | A | A | -0.0368 | |
| 501 | V | A | 0.3310 | |
| 502 | P | A | 0.7328 | |
| 503 | Y | A | 1.1212 | |
| 504 | A | A | 0.2577 | |
| 505 | H | A | 0.0000 | |
| 506 | Y | A | -0.3220 | |
| 507 | E | A | -1.6944 | |
| 508 | H | A | -1.6368 | |
| 509 | L | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | T | A | -0.5256 | |
| 512 | P | A | -0.5656 | |
| 513 | F | A | 0.0000 | |
| 514 | A | A | 0.0000 | |
| 515 | Q | A | -0.5927 | |
| 516 | F | A | -0.2769 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | S | A | -0.9637 | |
| 520 | I | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | E | A | -1.5232 | |
| 523 | D | A | -2.0324 | |
| 524 | G | A | -1.3781 | |
| 525 | L | A | -0.6021 | |
| 526 | P | A | -0.4125 | |
| 527 | L | A | -0.0913 | |
| 528 | D | A | -0.8850 | |
| 529 | A | A | -0.5396 | |
| 530 | T | A | -0.9641 | |
| 531 | E | A | -2.4020 | |
| 532 | Q | A | -2.0791 | |
| 533 | L | A | 0.0000 | |
| 534 | P | A | 0.0000 | |
| 535 | D | A | -1.7155 | |
| 536 | L | A | -0.6814 | |
| 537 | C | A | 0.0000 | |
| 538 | M | A | 0.0000 | |
| 539 | N | A | -0.4888 | |
| 540 | L | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | A | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | N | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | H | A | -0.3042 | |
| 548 | L | A | 0.0000 | |
| 549 | T | A | -0.5253 | |
| 550 | A | A | -0.9769 | |
| 551 | P | A | -1.3621 | |
| 552 | D | A | -2.4013 | |
| 553 | Q | A | -2.0088 | |
| 554 | N | A | 0.0000 | |
| 555 | V | A | -0.3286 | |
| 556 | I | A | 0.0000 | |
| 557 | M | A | 0.0000 | |
| 558 | A | A | -0.9400 | |
| 559 | A | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | S | A | -1.0639 | |
| 562 | K | A | -2.0927 | |
| 563 | H | A | -1.6037 | |
| 564 | T | A | -1.4592 | |
| 565 | N | A | -2.1804 | |
| 566 | V | A | 0.0000 | |
| 567 | K | A | -2.0349 | |
| 568 | I | A | -1.3274 | |
| 569 | F | A | 0.0000 | |
| 570 | S | A | 0.0000 | |
| 571 | E | A | -1.6447 | |
| 572 | K | A | -0.9353 | |
| 573 | L | A | 0.0000 | |
| 574 | L | A | -0.4069 | |
| 575 | L | A | 0.1018 | |
| 576 | L | A | -0.7194 | |
| 577 | L | A | 0.0000 | |
| 578 | N | A | -1.9130 | |
| 579 | R | A | -2.3520 | |
| 580 | G | A | -1.6411 | |
| 581 | D | A | -1.6723 | |
| 582 | D | A | -1.0744 | |
| 583 | P | A | -0.5053 | |
| 584 | V | A | 0.0000 | |
| 585 | R | A | -0.6850 | |
| 586 | I | A | 0.4590 | |
| 587 | F | A | -0.7743 | |
| 588 | R | A | -2.3937 | |
| 589 | H | A | -2.1648 | |
| 590 | E | A | -2.8815 | |
| 591 | P | A | -2.2125 | |
| 592 | Q | A | -2.4586 | |
| 593 | P | A | -1.2499 | |
| 594 | P | A | -0.8595 | |
| 595 | H | A | -0.8821 | |
| 596 | S | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | K | A | -0.3918 | |
| 600 | F | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | Q | A | -0.3835 | |
| 603 | D | A | 0.0000 | |
| 604 | V | A | 0.0000 | |
| 605 | F | A | 0.0000 | |
| 606 | S | A | -0.8753 | |
| 607 | S | A | -0.7756 | |
| 608 | A | A | -0.3941 | |
| 609 | A | A | -0.3323 | |
| 610 | T | A | 0.0000 | |
| 611 | A | A | 0.0000 | |
| 612 | S | A | -0.0812 | |
| 613 | I | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | Y | A | 0.2576 | |
| 616 | H | A | -0.5056 | |
| 617 | T | A | -0.2431 | |
| 618 | D | A | -0.7139 | |
| 619 | M | A | 0.0000 | |
| 620 | M | A | -0.5535 | |
| 621 | A | A | -0.3946 | |
| 622 | L | A | 0.0000 | |
| 623 | I | A | 0.0000 | |
| 624 | D | A | -1.2392 | |
| 625 | I | A | 0.0000 | |
| 626 | T | A | 0.0000 | |
| 627 | V | A | 0.0000 | |
| 628 | R | A | -1.8654 | |
| 629 | Q | A | -1.3757 | |
| 630 | I | A | 0.0000 | |
| 631 | A | A | -1.3432 | |
| 632 | D | A | -2.0207 | |
| 633 | L | A | -1.3159 | |
| 634 | S | A | -1.0657 | |
| 635 | P | A | -1.5109 | |
| 636 | G | A | -1.4455 | |
| 637 | D | A | -1.7194 | |
| 638 | K | A | -2.0564 | |
| 639 | L | A | -0.9328 | |
| 640 | R | A | 0.0000 | |
| 641 | M | A | -0.3805 | |
| 642 | E | A | -0.5864 | |
| 643 | Y | A | 0.0000 | |
| 644 | L | A | 0.0000 | |
| 645 | S | A | -0.3001 | |
| 646 | L | A | 0.0000 | |
| 647 | M | A | 0.0000 | |
| 648 | H | A | -0.9301 | |
| 649 | A | A | -0.8247 | |
| 650 | V | A | 0.0000 | |
| 651 | V | A | 0.0000 | |
| 652 | R | A | -2.0079 | |
| 653 | S | A | -1.0542 | |
| 654 | T | A | -0.7935 | |
| 655 | P | A | -1.0639 | |
| 656 | Y | A | 0.0000 | |
| 657 | L | A | -1.1760 | |
| 658 | Q | A | -1.6759 | |
| 659 | H | A | -1.7239 | |
| 660 | R | A | -2.2252 | |
| 661 | H | A | -1.7398 | |
| 662 | R | A | -1.9479 | |
| 663 | L | A | 0.0000 | |
| 664 | S | A | -1.0925 | |
| 665 | D | A | -1.3831 | |
| 666 | L | A | 0.0000 | |
| 667 | Q | A | 0.0000 | |
| 668 | A | A | -0.7745 | |
| 669 | T | A | 0.0000 | |
| 670 | L | A | 0.0000 | |
| 671 | R | A | -1.5327 | |
| 672 | R | A | -1.2646 | |
| 673 | I | A | 0.0000 | |
| 674 | L | A | -0.7756 | |
| 675 | T | A | -1.1579 | |
| 676 | E | A | -1.8367 | |
| 677 | E | A | -2.5533 | |
| 678 | E | A | -2.4129 | |
| 679 | T | A | -1.4472 | |
| 680 | S | A | -1.1212 | |
| 681 | P | A | -0.8877 | |
| 682 | Q | A | 0.0000 | |
| 683 | C | A | 0.0000 | |
| 684 | Q | A | -1.0006 | |
| 685 | M | A | -0.1466 | |
| 686 | D | A | 0.0000 | |
| 687 | R | A | -0.5871 | |
| 688 | M | A | 0.0542 | |
| 689 | I | A | -0.5689 | |
| 690 | V | A | 0.0000 | |
| 691 | Q | A | -1.9043 | |
| 692 | E | A | -2.6885 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | -2.1320 | |
| 695 | K | A | -2.9623 | |
| 696 | E | A | -2.5283 | |
| 697 | F | A | -1.6974 | |
| 698 | P | A | -1.6603 | |
| 699 | D | A | -1.4449 | |
| 700 | L | A | 0.0000 | |
| 701 | G | A | -1.2907 | |
| 702 | E | A | -1.4315 | |
| 703 | V | A | 0.5148 | |
| 704 | P | A | 0.0007 | |
| 705 | S | A | -0.1004 |
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 | -0.4815 | 4.2918 | View | CSV | PDB |
| 4.5 | -0.5481 | 4.2918 | View | CSV | PDB |
| 5.0 | -0.6324 | 4.2918 | View | CSV | PDB |
| 5.5 | -0.72 | 4.2918 | View | CSV | PDB |
| 6.0 | -0.7983 | 4.2918 | View | CSV | PDB |
| 6.5 | -0.8588 | 4.2918 | View | CSV | PDB |
| 7.0 | -0.8988 | 4.2918 | View | CSV | PDB |
| 7.5 | -0.9232 | 4.2918 | View | CSV | PDB |
| 8.0 | -0.9383 | 4.2918 | View | CSV | PDB |
| 8.5 | -0.9462 | 4.2918 | View | CSV | PDB |
| 9.0 | -0.9457 | 4.2918 | 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