| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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 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 (00:04:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4f80092aeb0dd6/tmp/folded.pdb (00:04:01)
[INFO] Main: Simulation completed successfully. (00:11:46)
|
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 | |
| 15 | G | A | -0.9020 | |
| 16 | A | A | -0.9029 | |
| 17 | D | A | -1.5279 | |
| 18 | G | A | -0.6492 | |
| 19 | V | A | 0.8153 | |
| 20 | G | A | -0.5726 | |
| 21 | N | A | -1.5492 | |
| 22 | S | A | -1.2964 | |
| 23 | S | A | -1.3846 | |
| 24 | G | A | -1.3301 | |
| 25 | N | A | -1.1769 | |
| 26 | W | A | -0.2615 | |
| 27 | H | A | -1.1310 | |
| 28 | C | A | -0.8697 | |
| 29 | D | A | -1.7933 | |
| 30 | S | A | -0.8044 | |
| 31 | T | A | -0.1048 | |
| 32 | W | A | -0.1377 | |
| 33 | M | A | 0.3036 | |
| 34 | G | A | -1.1273 | |
| 35 | D | A | -2.4184 | |
| 36 | R | A | -1.3097 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2323 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4658 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7520 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0745 | |
| 49 | T | A | -0.3143 | |
| 50 | Y | A | -0.3655 | |
| 51 | N | A | -1.0130 | |
| 52 | N | A | -1.2312 | |
| 53 | H | A | -0.5570 | |
| 54 | L | A | -0.3428 | |
| 55 | Y | A | -0.5765 | |
| 56 | K | A | -1.6546 | |
| 57 | Q | A | -1.0869 | |
| 58 | I | A | -0.2847 | |
| 59 | S | A | -0.4707 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5939 | |
| 62 | S | A | -1.1232 | |
| 63 | G | A | -1.3158 | |
| 64 | A | A | -1.5761 | |
| 65 | S | A | -1.8678 | |
| 66 | N | A | -2.6600 | |
| 67 | D | A | -2.4110 | |
| 68 | N | A | -2.4430 | |
| 69 | H | A | -2.1195 | |
| 70 | Y | A | -0.3698 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.1527 | |
| 74 | S | A | -0.4290 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.7644 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.1014 | |
| 91 | P | A | -1.4085 | |
| 92 | R | A | -2.5062 | |
| 93 | D | A | -1.9515 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.2157 | |
| 96 | R | A | -2.5228 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.4538 | |
| 100 | N | A | -2.3694 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -1.1269 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8782 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.8086 | |
| 108 | R | A | -2.0405 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.2781 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1266 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2793 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.0801 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4871 | |
| 120 | E | A | -0.1079 | |
| 121 | V | A | 0.0537 | |
| 122 | T | A | -0.8237 | |
| 123 | Q | A | -2.2129 | |
| 124 | N | A | -2.9029 | |
| 125 | D | A | -2.9321 | |
| 126 | G | A | -2.0818 | |
| 127 | T | A | -1.6910 | |
| 128 | T | A | -0.9328 | |
| 129 | T | A | -0.0527 | |
| 130 | I | A | 0.7014 | |
| 131 | A | A | -0.1045 | |
| 132 | N | A | -1.1516 | |
| 133 | N | A | -0.7428 | |
| 134 | L | A | 0.1811 | |
| 135 | T | A | -0.2701 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4277 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4160 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.2987 | |
| 145 | E | A | -2.2347 | |
| 146 | Y | A | -1.3205 | |
| 147 | Q | A | -1.3294 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4269 | |
| 150 | Y | A | 0.0962 | |
| 151 | V | A | 0.3477 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3276 | |
| 154 | S | A | -0.5014 | |
| 155 | A | A | -0.7016 | |
| 156 | H | A | -1.3310 | |
| 157 | Q | A | -1.6357 | |
| 158 | G | A | -0.6298 | |
| 159 | C | A | -0.4288 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0800 | |
| 162 | P | A | -0.2529 | |
| 163 | F | A | 0.3096 | |
| 164 | P | A | -0.0624 | |
| 165 | A | A | -0.2559 | |
| 166 | D | A | -0.6004 | |
| 167 | V | A | 1.2906 | |
| 168 | F | A | 1.1140 | |
| 169 | M | A | 1.4275 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2282 | |
| 172 | Q | A | -0.3542 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0563 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9466 | |
| 177 | T | A | 1.2123 | |
| 178 | L | A | 0.2695 | |
| 179 | N | A | -0.7506 | |
| 180 | N | A | -1.8826 | |
| 181 | G | A | -1.9052 | |
| 182 | S | A | -1.5796 | |
| 183 | Q | A | -1.4862 | |
| 184 | A | A | -1.0156 | |
| 185 | V | A | -0.9154 | |
| 186 | G | A | -1.1092 | |
| 187 | R | A | -1.6512 | |
| 188 | S | A | -0.2895 | |
| 189 | S | A | 0.6891 | |
| 190 | F | A | 1.7562 | |
| 191 | Y | A | 1.2464 | |
| 192 | C | A | 0.9559 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1126 | |
| 195 | Y | A | 1.0659 | |
| 196 | F | A | 0.4117 | |
| 197 | P | A | -0.2022 | |
| 198 | S | A | -0.4818 | |
| 199 | Q | A | -1.0879 | |
| 200 | M | A | -0.0737 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.4947 | |
| 203 | T | A | -1.1003 | |
| 204 | G | A | -1.3801 | |
| 205 | N | A | -1.7927 | |
| 206 | N | A | -1.3983 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.5445 | |
| 209 | F | A | -0.1717 | |
| 210 | S | A | -0.7089 | |
| 211 | Y | A | -0.6629 | |
| 212 | T | A | -1.3491 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0333 | |
| 215 | D | A | -2.1031 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4686 | |
| 218 | F | A | -0.0727 | |
| 219 | H | A | -0.1323 | |
| 220 | S | A | -0.1043 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.3777 | |
| 223 | A | A | -0.4420 | |
| 224 | H | A | -0.9186 | |
| 225 | S | A | -0.9710 | |
| 226 | Q | A | -1.1401 | |
| 227 | S | A | -1.0582 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.5155 | |
| 230 | R | A | -2.1494 | |
| 231 | L | A | -0.9486 | |
| 232 | M | A | -0.5634 | |
| 233 | N | A | -0.6616 | |
| 234 | P | A | 0.0918 | |
| 235 | L | A | 1.6439 | |
| 236 | I | A | 1.6219 | |
| 237 | D | A | -0.5107 | |
| 238 | Q | A | 0.3739 | |
| 239 | Y | A | 1.4769 | |
| 240 | L | A | 1.6959 | |
| 241 | Y | A | 2.1842 | |
| 242 | Y | A | 1.1084 | |
| 243 | L | A | 1.3124 | |
| 244 | S | A | -0.0350 | |
| 245 | R | A | -1.5468 | |
| 246 | T | A | -1.2683 | |
| 247 | N | A | -2.3074 | |
| 248 | T | A | -1.6987 | |
| 249 | P | A | -1.1523 | |
| 250 | S | A | -0.9348 | |
| 251 | G | A | -0.7662 | |
| 252 | T | A | -0.4108 | |
| 253 | T | A | -0.6124 | |
| 254 | T | A | -1.3482 | |
| 255 | Q | A | -1.9527 | |
| 256 | S | A | -2.0413 | |
| 257 | R | A | -2.3424 | |
| 258 | L | A | 0.0190 | |
| 259 | Q | A | 0.0953 | |
| 260 | F | A | 2.1935 | |
| 261 | S | A | 0.8609 | |
| 262 | Q | A | 0.1919 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | -0.3388 | |
| 266 | S | A | -0.9045 | |
| 267 | D | A | -1.5999 | |
| 268 | I | A | -1.7380 | |
| 269 | R | A | -2.9490 | |
| 270 | D | A | -2.4694 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | -0.7916 | |
| 273 | R | A | -1.4891 | |
| 274 | N | A | -1.1853 | |
| 275 | W | A | 0.0709 | |
| 276 | L | A | 0.7187 | |
| 277 | P | A | 0.5535 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.3725 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | -0.5651 | |
| 282 | R | A | -1.3075 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | -1.3787 | |
| 285 | R | A | -1.8873 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8382 | |
| 289 | T | A | -1.1169 | |
| 290 | S | A | -1.1962 | |
| 291 | A | A | -1.2735 | |
| 292 | D | A | -2.0776 | |
| 293 | N | A | -2.3443 | |
| 294 | N | A | -2.6723 | |
| 295 | N | A | -2.5897 | |
| 296 | S | A | -2.1075 | |
| 297 | E | A | -2.2412 | |
| 298 | Y | A | -1.0943 | |
| 299 | S | A | -0.5027 | |
| 300 | W | A | 0.1935 | |
| 301 | T | A | -0.2108 | |
| 302 | G | A | -0.5759 | |
| 303 | A | A | -0.2096 | |
| 304 | T | A | -0.1776 | |
| 305 | K | A | 0.1440 | |
| 306 | Y | A | 0.8962 | |
| 307 | H | A | -0.5214 | |
| 308 | L | A | 0.1312 | |
| 309 | N | A | -1.4458 | |
| 310 | G | A | -1.5843 | |
| 311 | R | A | -1.9997 | |
| 312 | D | A | -1.3145 | |
| 313 | S | A | -0.2689 | |
| 314 | L | A | 0.3284 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -0.8901 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | -0.0017 | |
| 320 | A | A | 0.1175 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -3.2662 | |
| 326 | D | A | -3.8716 | |
| 327 | D | A | -3.7632 | |
| 328 | E | A | -3.3315 | |
| 329 | E | A | -3.7747 | |
| 330 | K | A | -2.6054 | |
| 331 | F | A | -2.1861 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | -0.9254 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.6064 | |
| 339 | I | A | 1.3410 | |
| 340 | F | A | 0.1979 | |
| 341 | G | A | -1.7292 | |
| 342 | K | A | -2.6206 | |
| 343 | Q | A | -2.2731 | |
| 344 | G | A | -2.1084 | |
| 345 | S | A | -2.9159 | |
| 346 | E | A | -3.5664 | |
| 347 | K | A | -2.9117 | |
| 348 | T | A | -2.0913 | |
| 349 | N | A | -2.1616 | |
| 350 | V | A | -2.2192 | |
| 351 | D | A | -2.4727 | |
| 352 | I | A | -1.3149 | |
| 353 | E | A | -2.5410 | |
| 354 | K | A | -2.8946 | |
| 355 | V | A | -1.2065 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | 0.3833 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.0438 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -2.1923 | |
| 362 | E | A | -1.3485 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -1.7151 | |
| 365 | T | A | -0.9512 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | -1.4115 | |
| 372 | E | A | -1.7811 | |
| 373 | Q | A | -1.7518 | |
| 374 | Y | A | -0.7986 | |
| 375 | G | A | -0.6808 | |
| 376 | S | A | -0.2894 | |
| 377 | V | A | 1.0478 | |
| 378 | S | A | 0.2308 | |
| 379 | T | A | -0.1701 | |
| 380 | N | A | -0.8773 | |
| 381 | L | A | -0.3573 | |
| 382 | Q | A | -2.8000 | |
| 383 | R | A | -3.4407 | |
| 384 | G | A | -2.8570 | |
| 385 | N | A | -3.3399 | |
| 386 | R | A | -3.9699 | |
| 387 | Q | A | -3.0859 | |
| 388 | A | A | -1.5927 | |
| 389 | A | A | -0.5756 | |
| 390 | T | A | -0.1442 | |
| 391 | A | A | -0.6606 | |
| 392 | D | A | -1.8208 | |
| 393 | V | A | -1.0298 | |
| 394 | N | A | -1.5548 | |
| 395 | T | A | -0.8971 | |
| 396 | Q | A | -0.2930 | |
| 397 | G | A | 0.1084 | |
| 398 | V | A | 1.2957 | |
| 399 | L | A | 0.9714 | |
| 400 | P | A | 0.3502 | |
| 401 | G | A | 0.0247 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 1.0904 | |
| 404 | W | A | 0.3352 | |
| 405 | Q | A | -0.3886 | |
| 406 | D | A | -0.4937 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | -0.3646 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | -0.4144 | |
| 418 | K | A | -1.1604 | |
| 419 | I | A | -1.3051 | |
| 420 | P | A | -1.4577 | |
| 421 | H | A | -1.9908 | |
| 422 | T | A | -1.7784 | |
| 423 | D | A | -2.4583 | |
| 424 | G | A | -1.5483 | |
| 425 | H | A | -0.8883 | |
| 426 | F | A | 1.1651 | |
| 427 | H | A | -0.0426 | |
| 428 | P | A | -0.1836 | |
| 429 | S | A | 0.1395 | |
| 430 | P | A | 0.3312 | |
| 431 | L | A | 0.9774 | |
| 432 | M | A | 0.4177 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.0359 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.7114 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.5271 | |
| 439 | H | A | -2.1919 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1567 | |
| 450 | P | A | 0.1304 | |
| 451 | V | A | 0.4374 | |
| 452 | P | A | 0.1937 | |
| 453 | A | A | -0.2033 | |
| 454 | N | A | -1.3151 | |
| 455 | P | A | -0.5986 | |
| 456 | S | A | -0.2869 | |
| 457 | T | A | 0.0124 | |
| 458 | T | A | 0.6737 | |
| 459 | F | A | 1.7303 | |
| 460 | S | A | 0.5488 | |
| 461 | A | A | 0.1482 | |
| 462 | A | A | -0.2744 | |
| 463 | K | A | -1.1643 | |
| 464 | F | A | 0.2632 | |
| 465 | A | A | 0.0086 | |
| 466 | S | A | -0.1527 | |
| 467 | F | A | 0.3950 | |
| 468 | I | A | 0.7034 | |
| 469 | T | A | 0.1973 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.3787 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.1227 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.2906 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.6790 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.2704 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | -1.0184 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.3944 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.2067 | |
| 486 | K | A | -3.2641 | |
| 487 | E | A | -2.6214 | |
| 488 | N | A | -2.7550 | |
| 489 | S | A | -2.3023 | |
| 490 | K | A | -2.4350 | |
| 491 | R | A | -1.9127 | |
| 492 | W | A | -0.1533 | |
| 493 | N | A | -0.8189 | |
| 494 | P | A | -0.3870 | |
| 495 | E | A | 0.0913 | |
| 496 | I | A | 1.2670 | |
| 497 | Q | A | -0.5202 | |
| 498 | Y | A | 0.0000 | |
| 499 | T | A | -0.4526 | |
| 500 | S | A | -0.9079 | |
| 501 | N | A | -1.2938 | |
| 502 | Y | A | -0.3723 | |
| 503 | N | A | -1.9274 | |
| 504 | K | A | -1.7996 | |
| 505 | S | A | -0.3428 | |
| 506 | V | A | 1.2452 | |
| 507 | N | A | 0.5662 | |
| 508 | V | A | 1.1019 | |
| 509 | D | A | 0.0020 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | 0.5208 | |
| 512 | V | A | 0.4720 | |
| 513 | D | A | -0.4086 | |
| 514 | T | A | -0.9296 | |
| 515 | N | A | -1.3461 | |
| 516 | G | A | -0.8043 | |
| 517 | V | A | -0.0493 | |
| 518 | Y | A | -0.0209 | |
| 519 | S | A | -0.4355 | |
| 520 | E | A | -0.9292 | |
| 521 | P | A | -0.8945 | |
| 522 | R | A | -0.8901 | |
| 523 | P | A | -0.3622 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2095 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.2717 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.5294 | |
| 531 | R | A | -1.7623 | |
| 532 | N | A | -1.3911 | |
| 533 | L | A | -0.0491 |
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 | -0.3638 | 4.342 | View | CSV | PDB |
| 4.5 | -0.4102 | 4.1642 | View | CSV | PDB |
| 5.0 | -0.4638 | 4.0173 | View | CSV | PDB |
| 5.5 | -0.5162 | 4.0173 | View | CSV | PDB |
| 6.0 | -0.5591 | 4.0173 | View | CSV | PDB |
| 6.5 | -0.5873 | 4.0173 | View | CSV | PDB |
| 7.0 | -0.6027 | 4.0173 | View | CSV | PDB |
| 7.5 | -0.6106 | 4.0173 | View | CSV | PDB |
| 8.0 | -0.6136 | 4.0173 | View | CSV | PDB |
| 8.5 | -0.6104 | 4.0173 | View | CSV | PDB |
| 9.0 | -0.5988 | 4.0173 | 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