| Chain sequence(s) | MVTVMPLEMEKTISKLMFDFQRSSTSDDDSGCALEEYAWVPPGLKPEQVHQYYSCLPEEKVPYVNSAGEKLRIKQLLHQLPPHDNEVRYCNSLDEEEKRELKLFSNQRKRENLGRGNVRPFPVTMTGAICEQCGGQIKGGDIAVFASRAGHGICWHPPCFVCTVCNELLVDLIYFYQDGKIYCGRHHAECLKPRCAACDEIIFADECTEAEGRHWHMRHFCCFECETVLGGQRYIMKEGRPYCCHCFESLYAEYCDTCAQHIGIDQGQMTYDGQHWHATETCFCCAHCKKSLLGRPFLPKQGQIFCSRACSAGEDPNGSDSSDSAFQNARAKESRRSAKIGKNKGKTEEAMLNQHSQLQVSSNRLSADVDPLSVQMDLLSLSSQTPSLNRDPIWRSREEPFHYGNKMEQNQSQSPLQLLSQCNIRTSYSPGGQGAGAQPDMWAKHFSNPKRSSSMALKGHGGSFIQECREDYYPGRLMSQESYSDMSSQSFNETRGSIPVPKYEEEEEEEEGGISTQQCRPRRPLSSLKYTEDMTPTEQTPRGSMESLALSNATGLSAEGGAKRQEHLSRFSMPDLSKDSGMNVSEKLSNMGTLNSSMQFRSAESVRSLLSAQQYQEMEGNLHQLSNPLGYRDLQSHGRMHQSFDFDGGIASSKLPGQEGVHIQPMSERTRRRTTSRDDNRRFRPHRSRRSRRSRSDNALHLASEREVIARLKERPPLRAREDYDQFMRQRSFQESLGQGSRRDLYSQCPRTVSDLALQNAFGERWGPYFTEYDWCSTCSSSSESDNEGYFLGEPIPQPARLRYVTSDELLHKYSSYGVPKSSTLGGRGQLHSRKRQKSKNCIIS 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c54d2d2e0330bd/tmp/folded.pdb (00:17:33)
[INFO] Main: Simulation completed successfully. (00:23:38)
|
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 | 2.1171 | |
| 2 | V | A | 2.7915 | |
| 3 | T | A | 2.0310 | |
| 4 | V | A | 2.7593 | |
| 5 | M | A | 1.2366 | |
| 6 | P | A | 0.1126 | |
| 7 | L | A | 0.0144 | |
| 8 | E | A | -1.8921 | |
| 9 | M | A | -1.2466 | |
| 10 | E | A | -2.2908 | |
| 11 | K | A | -2.5703 | |
| 12 | T | A | -1.0703 | |
| 13 | I | A | -0.1005 | |
| 14 | S | A | -0.8813 | |
| 15 | K | A | -0.8003 | |
| 16 | L | A | 1.0021 | |
| 17 | M | A | 1.0131 | |
| 18 | F | A | 1.1798 | |
| 19 | D | A | -0.5088 | |
| 20 | F | A | 0.8023 | |
| 21 | Q | A | -0.9743 | |
| 22 | R | A | -1.9805 | |
| 23 | S | A | -1.3062 | |
| 24 | S | A | -1.1489 | |
| 25 | T | A | -1.1600 | |
| 26 | S | A | -1.7233 | |
| 27 | D | A | -3.2916 | |
| 28 | D | A | -3.6930 | |
| 29 | D | A | -3.3187 | |
| 30 | S | A | -1.8766 | |
| 31 | G | A | -1.5437 | |
| 32 | C | A | -0.7019 | |
| 33 | A | A | -1.2345 | |
| 34 | L | A | -0.9741 | |
| 35 | E | A | -2.0055 | |
| 36 | E | A | -2.0898 | |
| 37 | Y | A | 0.0000 | |
| 38 | A | A | -0.3513 | |
| 39 | W | A | 0.0463 | |
| 40 | V | A | 0.0285 | |
| 41 | P | A | 0.0000 | |
| 42 | P | A | -0.9670 | |
| 43 | G | A | -1.2957 | |
| 44 | L | A | -1.8523 | |
| 45 | K | A | -2.6433 | |
| 46 | P | A | -1.8152 | |
| 47 | E | A | -2.7585 | |
| 48 | Q | A | -2.4547 | |
| 49 | V | A | 0.0000 | |
| 50 | H | A | -1.6795 | |
| 51 | Q | A | -1.6110 | |
| 52 | Y | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | S | A | -0.7281 | |
| 55 | C | A | -0.2825 | |
| 56 | L | A | -0.7856 | |
| 57 | P | A | -1.6644 | |
| 58 | E | A | -2.8480 | |
| 59 | E | A | -3.1045 | |
| 60 | K | A | -2.2544 | |
| 61 | V | A | 0.0000 | |
| 62 | P | A | 0.0000 | |
| 63 | Y | A | -0.8188 | |
| 64 | V | A | -0.4178 | |
| 65 | N | A | -1.1976 | |
| 66 | S | A | -0.9582 | |
| 67 | A | A | -1.4147 | |
| 68 | G | A | 0.0000 | |
| 69 | E | A | -1.3584 | |
| 70 | K | A | -2.0899 | |
| 71 | L | A | -1.3820 | |
| 72 | R | A | -0.8136 | |
| 73 | I | A | -0.3305 | |
| 74 | K | A | -1.6066 | |
| 75 | Q | A | -0.9224 | |
| 76 | L | A | -0.0112 | |
| 77 | L | A | 0.2160 | |
| 78 | H | A | -0.9646 | |
| 79 | Q | A | 0.0000 | |
| 80 | L | A | 0.0215 | |
| 81 | P | A | 0.0000 | |
| 82 | P | A | -0.2146 | |
| 83 | H | A | -0.4805 | |
| 84 | D | A | 0.0000 | |
| 85 | N | A | -0.8166 | |
| 86 | E | A | -0.9514 | |
| 87 | V | A | -0.8489 | |
| 88 | R | A | -1.0800 | |
| 89 | Y | A | -0.9302 | |
| 90 | C | A | -0.7822 | |
| 91 | N | A | -1.1263 | |
| 92 | S | A | -1.3158 | |
| 93 | L | A | -2.0704 | |
| 94 | D | A | -3.6405 | |
| 95 | E | A | -4.2284 | |
| 96 | E | A | -4.3139 | |
| 97 | E | A | -3.3908 | |
| 98 | K | A | -3.5654 | |
| 99 | R | A | -3.5299 | |
| 100 | E | A | -2.5232 | |
| 101 | L | A | 0.0000 | |
| 102 | K | A | -2.1080 | |
| 103 | L | A | -0.5994 | |
| 104 | F | A | -0.9598 | |
| 105 | S | A | 0.0000 | |
| 106 | N | A | -2.2115 | |
| 107 | Q | A | -2.6403 | |
| 108 | R | A | 0.0000 | |
| 109 | K | A | -2.5804 | |
| 110 | R | A | -3.6492 | |
| 111 | E | A | -3.5005 | |
| 112 | N | A | -2.1847 | |
| 113 | L | A | -1.5487 | |
| 114 | G | A | -1.3799 | |
| 115 | R | A | -1.4024 | |
| 116 | G | A | 0.0000 | |
| 117 | N | A | -1.8559 | |
| 118 | V | A | 0.0000 | |
| 119 | R | A | -1.9006 | |
| 120 | P | A | -0.9352 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | 0.3897 | |
| 123 | V | A | 1.4226 | |
| 124 | T | A | 0.9632 | |
| 125 | M | A | 1.1124 | |
| 126 | T | A | 0.3475 | |
| 127 | G | A | -0.2011 | |
| 128 | A | A | 0.0942 | |
| 129 | I | A | 0.7892 | |
| 130 | C | A | 0.0000 | |
| 131 | E | A | -1.2468 | |
| 132 | Q | A | -0.8934 | |
| 133 | C | A | -0.0770 | |
| 134 | G | A | -0.4173 | |
| 135 | G | A | -0.6963 | |
| 136 | Q | A | -1.2413 | |
| 137 | I | A | 0.0000 | |
| 138 | K | A | -1.6253 | |
| 139 | G | A | -0.3569 | |
| 140 | G | A | -0.4540 | |
| 141 | D | A | -1.2565 | |
| 142 | I | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | F | A | -0.8760 | |
| 146 | A | A | 0.0000 | |
| 147 | S | A | -1.2107 | |
| 148 | R | A | -1.4564 | |
| 149 | A | A | -1.0950 | |
| 150 | G | A | -0.9029 | |
| 151 | H | A | -1.2527 | |
| 152 | G | A | -0.4076 | |
| 153 | I | A | 0.0563 | |
| 154 | C | A | 0.0000 | |
| 155 | W | A | 0.0000 | |
| 156 | H | A | -0.4012 | |
| 157 | P | A | 0.0000 | |
| 158 | P | A | -0.1389 | |
| 159 | C | A | -0.4508 | |
| 160 | F | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | C | A | 0.0000 | |
| 163 | T | A | 0.0728 | |
| 164 | V | A | 1.2145 | |
| 165 | C | A | 0.4239 | |
| 166 | N | A | -0.7847 | |
| 167 | E | A | -0.6804 | |
| 168 | L | A | -0.4201 | |
| 169 | L | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | D | A | -0.2886 | |
| 172 | L | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | Y | A | -1.2477 | |
| 177 | Q | A | -1.8876 | |
| 178 | D | A | -2.4731 | |
| 179 | G | A | -2.0123 | |
| 180 | K | A | -1.9919 | |
| 181 | I | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | R | A | -0.4688 | |
| 186 | H | A | 0.0041 | |
| 187 | H | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | E | A | -0.3310 | |
| 190 | C | A | 0.0106 | |
| 191 | L | A | 0.8246 | |
| 192 | K | A | 0.2829 | |
| 193 | P | A | -0.3579 | |
| 194 | R | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | A | A | -0.6705 | |
| 197 | A | A | -0.5722 | |
| 198 | C | A | -0.2496 | |
| 199 | D | A | -0.7448 | |
| 200 | E | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | A | A | -1.7414 | |
| 205 | D | A | -2.6189 | |
| 206 | E | A | -2.1308 | |
| 207 | C | A | -0.9015 | |
| 208 | T | A | 0.0000 | |
| 209 | E | A | -1.1773 | |
| 210 | A | A | 0.0000 | |
| 211 | E | A | -2.1675 | |
| 212 | G | A | -2.1414 | |
| 213 | R | A | -2.5254 | |
| 214 | H | A | -1.2306 | |
| 215 | W | A | -0.8823 | |
| 216 | H | A | -0.4889 | |
| 217 | M | A | -0.2258 | |
| 218 | R | A | -1.5786 | |
| 219 | H | A | -0.9322 | |
| 220 | F | A | 0.0000 | |
| 221 | C | A | -0.8069 | |
| 222 | C | A | 0.0000 | |
| 223 | F | A | -0.4639 | |
| 224 | E | A | -1.5793 | |
| 225 | C | A | -1.0769 | |
| 226 | E | A | -1.9521 | |
| 227 | T | A | -1.0167 | |
| 228 | V | A | -0.3256 | |
| 229 | L | A | 0.0000 | |
| 230 | G | A | -0.8898 | |
| 231 | G | A | -1.2672 | |
| 232 | Q | A | -1.9174 | |
| 233 | R | A | -2.5914 | |
| 234 | Y | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | M | A | -1.0797 | |
| 237 | K | A | -1.7708 | |
| 238 | E | A | -2.5878 | |
| 239 | G | A | -2.0235 | |
| 240 | R | A | -1.8066 | |
| 241 | P | A | -1.0274 | |
| 242 | Y | A | 0.0000 | |
| 243 | C | A | 0.0000 | |
| 244 | C | A | -0.8693 | |
| 245 | H | A | -0.9485 | |
| 246 | C | A | -0.3379 | |
| 247 | F | A | 0.0190 | |
| 248 | E | A | -0.3616 | |
| 249 | S | A | -0.1821 | |
| 250 | L | A | 0.5236 | |
| 251 | Y | A | 0.6231 | |
| 252 | A | A | -0.1622 | |
| 253 | E | A | -0.6961 | |
| 254 | Y | A | -0.1096 | |
| 255 | C | A | 0.0000 | |
| 256 | D | A | -1.8338 | |
| 257 | T | A | -0.8616 | |
| 258 | C | A | -0.4450 | |
| 259 | A | A | -0.7284 | |
| 260 | Q | A | -1.3723 | |
| 261 | H | A | -1.1890 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | -1.3959 | |
| 264 | I | A | -0.9975 | |
| 265 | D | A | -2.2108 | |
| 266 | Q | A | -2.0229 | |
| 267 | G | A | -1.5646 | |
| 268 | Q | A | -1.6519 | |
| 269 | M | A | -0.3918 | |
| 270 | T | A | -0.5818 | |
| 271 | Y | A | -0.5879 | |
| 272 | D | A | -1.9373 | |
| 273 | G | A | -1.4004 | |
| 274 | Q | A | -1.4525 | |
| 275 | H | A | -1.1253 | |
| 276 | W | A | 0.0000 | |
| 277 | H | A | -1.3409 | |
| 278 | A | A | -1.0117 | |
| 279 | T | A | -1.1447 | |
| 280 | E | A | -2.2749 | |
| 281 | T | A | -1.4189 | |
| 282 | C | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | C | A | 0.0000 | |
| 286 | A | A | -1.0117 | |
| 287 | H | A | -1.6042 | |
| 288 | C | A | -1.3956 | |
| 289 | K | A | -2.5832 | |
| 290 | K | A | -2.4019 | |
| 291 | S | A | -1.9241 | |
| 292 | L | A | 0.0000 | |
| 293 | L | A | -0.8977 | |
| 294 | G | A | -1.2384 | |
| 295 | R | A | -1.7652 | |
| 296 | P | A | -0.7725 | |
| 297 | F | A | -0.2583 | |
| 298 | L | A | -0.1951 | |
| 299 | P | A | -1.0347 | |
| 300 | K | A | -1.7616 | |
| 301 | Q | A | -2.1602 | |
| 302 | G | A | -2.2921 | |
| 303 | Q | A | -2.0749 | |
| 304 | I | A | 0.0000 | |
| 305 | F | A | -0.7065 | |
| 306 | C | A | -0.7717 | |
| 307 | S | A | -0.6967 | |
| 308 | R | A | -1.9518 | |
| 309 | A | A | -1.8869 | |
| 310 | C | A | -1.4551 | |
| 311 | S | A | 0.0000 | |
| 312 | A | A | -1.5448 | |
| 313 | G | A | -2.1903 | |
| 314 | E | A | -3.5582 | |
| 315 | D | A | -3.5773 | |
| 316 | P | A | -2.4208 | |
| 317 | N | A | -2.8627 | |
| 318 | G | A | -2.9895 | |
| 319 | S | A | -2.4980 | |
| 320 | D | A | -2.7492 | |
| 321 | S | A | -1.9957 | |
| 322 | S | A | -1.5333 | |
| 323 | D | A | -2.1034 | |
| 324 | S | A | -1.3578 | |
| 325 | A | A | -0.3483 | |
| 326 | F | A | 0.1958 | |
| 327 | Q | A | -1.6512 | |
| 328 | N | A | -2.0795 | |
| 329 | A | A | -1.8403 | |
| 330 | R | A | -2.9611 | |
| 331 | A | A | -2.6869 | |
| 332 | K | A | -3.5461 | |
| 333 | E | A | -3.6865 | |
| 334 | S | A | -2.8276 | |
| 335 | R | A | -3.4489 | |
| 336 | R | A | -3.0950 | |
| 337 | S | A | -1.8161 | |
| 338 | A | A | -1.0219 | |
| 339 | K | A | -0.7893 | |
| 340 | I | A | 0.5607 | |
| 341 | G | A | -0.9185 | |
| 342 | K | A | -2.4591 | |
| 343 | N | A | -3.0706 | |
| 344 | K | A | -3.2450 | |
| 345 | G | A | -2.4378 | |
| 346 | K | A | -2.7751 | |
| 347 | T | A | -2.4299 | |
| 348 | E | A | -3.0964 | |
| 349 | E | A | -2.4301 | |
| 350 | A | A | -0.5273 | |
| 351 | M | A | 1.2089 | |
| 352 | L | A | 1.1890 | |
| 353 | N | A | -1.0568 | |
| 354 | Q | A | -2.0509 | |
| 355 | H | A | -2.1897 | |
| 356 | S | A | -1.2290 | |
| 357 | Q | A | -1.0404 | |
| 358 | L | A | 0.7603 | |
| 359 | Q | A | 0.1207 | |
| 360 | V | A | 1.4174 | |
| 361 | S | A | 0.0389 | |
| 362 | S | A | -0.8157 | |
| 363 | N | A | -2.0592 | |
| 364 | R | A | -1.7785 | |
| 365 | L | A | 0.0692 | |
| 366 | S | A | -0.3063 | |
| 367 | A | A | -0.4457 | |
| 368 | D | A | -1.3019 | |
| 369 | V | A | 0.0263 | |
| 370 | D | A | -1.0753 | |
| 371 | P | A | -0.0750 | |
| 372 | L | A | 1.2338 | |
| 373 | S | A | 0.9576 | |
| 374 | V | A | 1.5623 | |
| 375 | Q | A | -0.1692 | |
| 376 | M | A | 0.1113 | |
| 377 | D | A | -0.4293 | |
| 378 | L | A | 1.7041 | |
| 379 | L | A | 2.1993 | |
| 380 | S | A | 1.6633 | |
| 381 | L | A | 1.5922 | |
| 382 | S | A | 0.2880 | |
| 383 | S | A | -0.5687 | |
| 384 | Q | A | -1.4276 | |
| 385 | T | A | -0.8581 | |
| 386 | P | A | -0.3164 | |
| 387 | S | A | 0.1666 | |
| 388 | L | A | 0.4145 | |
| 389 | N | A | -1.8178 | |
| 390 | R | A | -3.1057 | |
| 391 | D | A | -2.6659 | |
| 392 | P | A | -0.5199 | |
| 393 | I | A | 1.7474 | |
| 394 | W | A | 1.2353 | |
| 395 | R | A | -1.3609 | |
| 396 | S | A | -2.1923 | |
| 397 | R | A | -3.6372 | |
| 398 | E | A | -3.4979 | |
| 399 | E | A | -2.7872 | |
| 400 | P | A | -0.8040 | |
| 401 | F | A | 1.0719 | |
| 402 | H | A | 0.4158 | |
| 403 | Y | A | 0.6499 | |
| 404 | G | A | -1.0585 | |
| 405 | N | A | -1.9523 | |
| 406 | K | A | -2.2482 | |
| 407 | M | A | -1.1977 | |
| 408 | E | A | -2.7534 | |
| 409 | Q | A | -2.8723 | |
| 410 | N | A | -2.9713 | |
| 411 | Q | A | -2.6745 | |
| 412 | S | A | -1.7599 | |
| 413 | Q | A | -1.7280 | |
| 414 | S | A | -0.6407 | |
| 415 | P | A | -0.1453 | |
| 416 | L | A | 1.0589 | |
| 417 | Q | A | 0.6506 | |
| 418 | L | A | 2.0546 | |
| 419 | L | A | 1.7441 | |
| 420 | S | A | 0.4530 | |
| 421 | Q | A | -0.9376 | |
| 422 | C | A | -0.0264 | |
| 423 | N | A | -0.5979 | |
| 424 | I | A | 0.6648 | |
| 425 | R | A | -1.0443 | |
| 426 | T | A | -0.3972 | |
| 427 | S | A | 0.0106 | |
| 428 | Y | A | 0.8140 | |
| 429 | S | A | 0.2215 | |
| 430 | P | A | -0.3934 | |
| 431 | G | A | -1.1194 | |
| 432 | G | A | -1.4098 | |
| 433 | Q | A | -1.7369 | |
| 434 | G | A | -1.2119 | |
| 435 | A | A | -0.6349 | |
| 436 | G | A | -0.7690 | |
| 437 | A | A | -0.7992 | |
| 438 | Q | A | -1.7983 | |
| 439 | P | A | -1.3939 | |
| 440 | D | A | -1.4550 | |
| 441 | M | A | 0.7398 | |
| 442 | W | A | 0.9801 | |
| 443 | A | A | -0.0421 | |
| 444 | K | A | -1.4726 | |
| 445 | H | A | -0.7696 | |
| 446 | F | A | 0.6687 | |
| 447 | S | A | -0.1552 | |
| 448 | N | A | -1.4944 | |
| 449 | P | A | -2.1577 | |
| 450 | K | A | -3.0619 | |
| 451 | R | A | -2.8930 | |
| 452 | S | A | -1.6210 | |
| 453 | S | A | -0.5812 | |
| 454 | S | A | 0.1837 | |
| 455 | M | A | 1.2605 | |
| 456 | A | A | 0.8355 | |
| 457 | L | A | 0.8691 | |
| 458 | K | A | -1.3738 | |
| 459 | G | A | -1.5151 | |
| 460 | H | A | -1.9455 | |
| 461 | G | A | -1.0900 | |
| 462 | G | A | -0.2543 | |
| 463 | S | A | 0.6930 | |
| 464 | F | A | 2.0861 | |
| 465 | I | A | 1.9379 | |
| 466 | Q | A | -0.7848 | |
| 467 | E | A | -2.0939 | |
| 468 | C | A | -1.7733 | |
| 469 | R | A | -3.2220 | |
| 470 | E | A | -3.2540 | |
| 471 | D | A | -2.2374 | |
| 472 | Y | A | 0.2243 | |
| 473 | Y | A | 0.5502 | |
| 474 | P | A | -0.2515 | |
| 475 | G | A | -0.9893 | |
| 476 | R | A | -1.6254 | |
| 477 | L | A | 0.4570 | |
| 478 | M | A | 0.7263 | |
| 479 | S | A | -0.5783 | |
| 480 | Q | A | -1.4898 | |
| 481 | E | A | -2.3166 | |
| 482 | S | A | -1.1633 | |
| 483 | Y | A | 0.0693 | |
| 484 | S | A | -0.5327 | |
| 485 | D | A | -1.1698 | |
| 486 | M | A | 0.0444 | |
| 487 | S | A | -0.7209 | |
| 488 | S | A | -0.7974 | |
| 489 | Q | A | -0.9648 | |
| 490 | S | A | -0.4621 | |
| 491 | F | A | 0.4221 | |
| 492 | N | A | -1.4688 | |
| 493 | E | A | -2.4456 | |
| 494 | T | A | -2.0561 | |
| 495 | R | A | -2.3552 | |
| 496 | G | A | -1.0284 | |
| 497 | S | A | 0.2654 | |
| 498 | I | A | 1.8712 | |
| 499 | P | A | 1.1783 | |
| 500 | V | A | 1.7137 | |
| 501 | P | A | 0.0418 | |
| 502 | K | A | -1.4332 | |
| 503 | Y | A | -0.9019 | |
| 504 | E | A | -3.1828 | |
| 505 | E | A | -4.0217 | |
| 506 | E | A | -4.5309 | |
| 507 | E | A | -4.8309 | |
| 508 | E | A | -4.5885 | |
| 509 | E | A | -4.6552 | |
| 510 | E | A | -4.2632 | |
| 511 | E | A | -3.4604 | |
| 512 | G | A | -1.5721 | |
| 513 | G | A | -0.2528 | |
| 514 | I | A | 1.5634 | |
| 515 | S | A | 0.3758 | |
| 516 | T | A | -0.6328 | |
| 517 | Q | A | -1.7154 | |
| 518 | Q | A | -1.8469 | |
| 519 | C | A | -1.0314 | |
| 520 | R | A | -2.3046 | |
| 521 | P | A | -2.2734 | |
| 522 | R | A | -3.1425 | |
| 523 | R | A | -2.5927 | |
| 524 | P | A | -0.8858 | |
| 525 | L | A | 0.8093 | |
| 526 | S | A | 0.3492 | |
| 527 | S | A | 0.4813 | |
| 528 | L | A | 1.0630 | |
| 529 | K | A | -0.5858 | |
| 530 | Y | A | 0.1781 | |
| 531 | T | A | -0.8979 | |
| 532 | E | A | -2.3907 | |
| 533 | D | A | -2.0388 | |
| 534 | M | A | -0.3715 | |
| 535 | T | A | -0.0374 | |
| 536 | P | A | -0.4738 | |
| 537 | T | A | -1.3222 | |
| 538 | E | A | -2.5340 | |
| 539 | Q | A | -2.2351 | |
| 540 | T | A | -1.6420 | |
| 541 | P | A | -1.5408 | |
| 542 | R | A | -2.2530 | |
| 543 | G | A | -1.3021 | |
| 544 | S | A | -0.6995 | |
| 545 | M | A | -0.0921 | |
| 546 | E | A | -1.1279 | |
| 547 | S | A | -0.1511 | |
| 548 | L | A | 1.4471 | |
| 549 | A | A | 1.1823 | |
| 550 | L | A | 1.4992 | |
| 551 | S | A | 0.1510 | |
| 552 | N | A | -0.9781 | |
| 553 | A | A | -0.5561 | |
| 554 | T | A | -0.1850 | |
| 555 | G | A | 0.2111 | |
| 556 | L | A | 1.2174 | |
| 557 | S | A | 0.0776 | |
| 558 | A | A | -0.7049 | |
| 559 | E | A | -2.1569 | |
| 560 | G | A | -1.5609 | |
| 561 | G | A | -1.3725 | |
| 562 | A | A | -1.4367 | |
| 563 | K | A | -2.9100 | |
| 564 | R | A | -3.7044 | |
| 565 | Q | A | -3.6929 | |
| 566 | E | A | -2.9939 | |
| 567 | H | A | -1.6517 | |
| 568 | L | A | 0.3595 | |
| 569 | S | A | -0.0498 | |
| 570 | R | A | -0.6653 | |
| 571 | F | A | 1.1728 | |
| 572 | S | A | 0.8375 | |
| 573 | M | A | 0.8724 | |
| 574 | P | A | -0.3493 | |
| 575 | D | A | -1.0160 | |
| 576 | L | A | 0.1786 | |
| 577 | S | A | -1.2102 | |
| 578 | K | A | -2.5641 | |
| 579 | D | A | -2.9777 | |
| 580 | S | A | -1.4024 | |
| 581 | G | A | -0.8182 | |
| 582 | M | A | 0.4973 | |
| 583 | N | A | 0.1604 | |
| 584 | V | A | 1.3000 | |
| 585 | S | A | -0.3433 | |
| 586 | E | A | -1.2651 | |
| 587 | K | A | -1.7385 | |
| 588 | L | A | 0.2083 | |
| 589 | S | A | -0.0960 | |
| 590 | N | A | -0.5589 | |
| 591 | M | A | 0.0719 | |
| 592 | G | A | 0.0528 | |
| 593 | T | A | 0.3505 | |
| 594 | L | A | 0.6584 | |
| 595 | N | A | -0.5026 | |
| 596 | S | A | -0.3111 | |
| 597 | S | A | -0.2426 | |
| 598 | M | A | 0.6056 | |
| 599 | Q | A | -0.1990 | |
| 600 | F | A | 0.5792 | |
| 601 | R | A | -1.2075 | |
| 602 | S | A | -1.1644 | |
| 603 | A | A | -1.3683 | |
| 604 | E | A | -1.5482 | |
| 605 | S | A | -0.6923 | |
| 606 | V | A | 0.3360 | |
| 607 | R | A | -0.5727 | |
| 608 | S | A | 0.5320 | |
| 609 | L | A | 1.7006 | |
| 610 | L | A | 1.9017 | |
| 611 | S | A | 0.7073 | |
| 612 | A | A | -0.3948 | |
| 613 | Q | A | -1.6892 | |
| 614 | Q | A | -1.4693 | |
| 615 | Y | A | -0.5502 | |
| 616 | Q | A | -1.7812 | |
| 617 | E | A | -2.1222 | |
| 618 | M | A | -1.2304 | |
| 619 | E | A | -2.3306 | |
| 620 | G | A | -1.6018 | |
| 621 | N | A | -1.3316 | |
| 622 | L | A | -0.0859 | |
| 623 | H | A | -0.8202 | |
| 624 | Q | A | -0.7391 | |
| 625 | L | A | 0.4117 | |
| 626 | S | A | -0.2606 | |
| 627 | N | A | -0.8811 | |
| 628 | P | A | -0.3694 | |
| 629 | L | A | 1.1846 | |
| 630 | G | A | 0.6022 | |
| 631 | Y | A | 0.1920 | |
| 632 | R | A | -1.8941 | |
| 633 | D | A | -1.9838 | |
| 634 | L | A | -0.3474 | |
| 635 | Q | A | -1.1542 | |
| 636 | S | A | -1.0541 | |
| 637 | H | A | -1.9663 | |
| 638 | G | A | -1.6660 | |
| 639 | R | A | -1.9866 | |
| 640 | M | A | -0.7257 | |
| 641 | H | A | -1.3924 | |
| 642 | Q | A | -1.1717 | |
| 643 | S | A | -0.4042 | |
| 644 | F | A | 1.0853 | |
| 645 | D | A | -0.2963 | |
| 646 | F | A | 0.3462 | |
| 647 | D | A | -1.4022 | |
| 648 | G | A | -0.7005 | |
| 649 | G | A | -0.0814 | |
| 650 | I | A | 1.6777 | |
| 651 | A | A | 0.7723 | |
| 652 | S | A | -0.2214 | |
| 653 | S | A | -0.8164 | |
| 654 | K | A | -1.1630 | |
| 655 | L | A | 0.4489 | |
| 656 | P | A | -0.2649 | |
| 657 | G | A | -1.3057 | |
| 658 | Q | A | -2.2980 | |
| 659 | E | A | -2.4314 | |
| 660 | G | A | -0.8771 | |
| 661 | V | A | 0.8972 | |
| 662 | H | A | 0.1105 | |
| 663 | I | A | 1.4214 | |
| 664 | Q | A | -0.1932 | |
| 665 | P | A | -0.2434 | |
| 666 | M | A | 0.0835 | |
| 667 | S | A | -1.3657 | |
| 668 | E | A | -2.8498 | |
| 669 | R | A | -3.5493 | |
| 670 | T | A | -2.7166 | |
| 671 | R | A | -3.9568 | |
| 672 | R | A | -3.9971 | |
| 673 | R | A | -3.1847 | |
| 674 | T | A | -1.5236 | |
| 675 | T | A | -1.3441 | |
| 676 | S | A | -1.8177 | |
| 677 | R | A | -3.1737 | |
| 678 | D | A | -3.8661 | |
| 679 | D | A | -4.0770 | |
| 680 | N | A | -3.9678 | |
| 681 | R | A | -3.4053 | |
| 682 | R | A | -2.4386 | |
| 683 | F | A | -0.3227 | |
| 684 | R | A | -1.6630 | |
| 685 | P | A | -1.6291 | |
| 686 | H | A | -2.4369 | |
| 687 | R | A | -2.8492 | |
| 688 | S | A | -2.6275 | |
| 689 | R | A | -3.2439 | |
| 690 | R | A | -3.2692 | |
| 691 | S | A | -2.7472 | |
| 692 | R | A | -3.2862 | |
| 693 | R | A | -3.3255 | |
| 694 | S | A | -2.4501 | |
| 695 | R | A | -3.0659 | |
| 696 | S | A | -2.4197 | |
| 697 | D | A | -2.8368 | |
| 698 | N | A | -2.0556 | |
| 699 | A | A | -0.3596 | |
| 700 | L | A | 1.0010 | |
| 701 | H | A | 0.7109 | |
| 702 | L | A | 1.1527 | |
| 703 | A | A | -0.1603 | |
| 704 | S | A | -1.4246 | |
| 705 | E | A | -2.8350 | |
| 706 | R | A | -2.9563 | |
| 707 | E | A | -1.6262 | |
| 708 | V | A | 0.7128 | |
| 709 | I | A | 1.9205 | |
| 710 | A | A | 0.4904 | |
| 711 | R | A | -0.8731 | |
| 712 | L | A | -0.6981 | |
| 713 | K | A | -2.7012 | |
| 714 | E | A | -3.5770 | |
| 715 | R | A | -3.2275 | |
| 716 | P | A | -1.3510 | |
| 717 | P | A | -0.4177 | |
| 718 | L | A | 0.4876 | |
| 719 | R | A | -1.5002 | |
| 720 | A | A | -1.9111 | |
| 721 | R | A | -3.4484 | |
| 722 | E | A | -3.5280 | |
| 723 | D | A | -3.0903 | |
| 724 | Y | A | -0.8430 | |
| 725 | D | A | -2.0577 | |
| 726 | Q | A | -1.3308 | |
| 727 | F | A | 0.9052 | |
| 728 | M | A | -0.0706 | |
| 729 | R | A | -2.3770 | |
| 730 | Q | A | -2.2935 | |
| 731 | R | A | -2.5204 | |
| 732 | S | A | -1.0880 | |
| 733 | F | A | 0.2557 | |
| 734 | Q | A | -1.4330 | |
| 735 | E | A | -1.7943 | |
| 736 | S | A | -0.6828 | |
| 737 | L | A | 0.6242 | |
| 738 | G | A | -0.4399 | |
| 739 | Q | A | -1.3641 | |
| 740 | G | A | -1.6189 | |
| 741 | S | A | -1.9826 | |
| 742 | R | A | -3.4407 | |
| 743 | R | A | -3.3798 | |
| 744 | D | A | -2.2460 | |
| 745 | L | A | 0.7849 | |
| 746 | Y | A | 1.2292 | |
| 747 | S | A | 0.3842 | |
| 748 | Q | A | -0.5092 | |
| 749 | C | A | -0.4575 | |
| 750 | P | A | -1.1343 | |
| 751 | R | A | -1.4812 | |
| 752 | T | A | -0.2467 | |
| 753 | V | A | 0.8613 | |
| 754 | S | A | 0.0814 | |
| 755 | D | A | -0.7728 | |
| 756 | L | A | 0.7375 | |
| 757 | A | A | 0.1758 | |
| 758 | L | A | -0.5990 | |
| 759 | Q | A | -2.0606 | |
| 760 | N | A | -1.9027 | |
| 761 | A | A | -0.0182 | |
| 762 | F | A | 1.0819 | |
| 763 | G | A | -0.5807 | |
| 764 | E | A | -2.3320 | |
| 765 | R | A | -2.3447 | |
| 766 | W | A | -0.4900 | |
| 767 | G | A | -0.1388 | |
| 768 | P | A | 0.7742 | |
| 769 | Y | A | 2.0113 | |
| 770 | F | A | 2.1003 | |
| 771 | T | A | 0.1842 | |
| 772 | E | A | -1.0744 | |
| 773 | Y | A | 0.0456 | |
| 774 | D | A | -0.8368 | |
| 775 | W | A | 0.7919 | |
| 776 | C | A | 1.0286 | |
| 777 | S | A | 0.3246 | |
| 778 | T | A | 0.4481 | |
| 779 | C | A | 0.5994 | |
| 780 | S | A | 0.0035 | |
| 781 | S | A | -0.2742 | |
| 782 | S | A | -0.8140 | |
| 783 | S | A | -1.4971 | |
| 784 | E | A | -2.6282 | |
| 785 | S | A | -2.5555 | |
| 786 | D | A | -3.3988 | |
| 787 | N | A | -3.1741 | |
| 788 | E | A | -2.7666 | |
| 789 | G | A | -1.3314 | |
| 790 | Y | A | 0.6643 | |
| 791 | F | A | 1.4044 | |
| 792 | L | A | 1.5166 | |
| 793 | G | A | 0.0285 | |
| 794 | E | A | -0.9536 | |
| 795 | P | A | -0.6491 | |
| 796 | I | A | -0.2526 | |
| 797 | P | A | -0.9479 | |
| 798 | Q | A | -1.8494 | |
| 799 | P | A | -1.0364 | |
| 800 | A | A | -0.9934 | |
| 801 | R | A | -1.6079 | |
| 802 | L | A | 0.2250 | |
| 803 | R | A | -0.4688 | |
| 804 | Y | A | 1.3999 | |
| 805 | V | A | 1.9132 | |
| 806 | T | A | 0.5682 | |
| 807 | S | A | -0.2206 | |
| 808 | D | A | -1.5255 | |
| 809 | E | A | -0.4710 | |
| 810 | L | A | 0.3306 | |
| 811 | L | A | 0.5567 | |
| 812 | H | A | -1.2186 | |
| 813 | K | A | -1.1284 | |
| 814 | Y | A | 0.8901 | |
| 815 | S | A | 0.2370 | |
| 816 | S | A | 0.2947 | |
| 817 | Y | A | 1.3278 | |
| 818 | G | A | 0.8461 | |
| 819 | V | A | 1.1917 | |
| 820 | P | A | -0.2543 | |
| 821 | K | A | -1.5862 | |
| 822 | S | A | -1.0406 | |
| 823 | S | A | -0.4652 | |
| 824 | T | A | 0.2079 | |
| 825 | L | A | 1.1436 | |
| 826 | G | A | -0.3568 | |
| 827 | G | A | -1.4836 | |
| 828 | R | A | -2.6728 | |
| 829 | G | A | -1.7203 | |
| 830 | Q | A | -1.3999 | |
| 831 | L | A | 0.3037 | |
| 832 | H | A | -0.9930 | |
| 833 | S | A | -1.7757 | |
| 834 | R | A | -3.4123 | |
| 835 | K | A | -3.9133 | |
| 836 | R | A | -4.0849 | |
| 837 | Q | A | -3.3680 | |
| 838 | K | A | -3.1649 | |
| 839 | S | A | -2.4237 | |
| 840 | K | A | -2.6402 | |
| 841 | N | A | -1.3408 | |
| 842 | C | A | 1.2426 | |
| 843 | I | A | 3.0211 | |
| 844 | I | A | 3.0494 | |
| 845 | S | A | 1.1967 |
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 | -0.7379 | 5.1032 | View | CSV | PDB |
| 4.5 | -0.824 | 5.053 | View | CSV | PDB |
| 5.0 | -0.9335 | 4.9755 | View | CSV | PDB |
| 5.5 | -1.0456 | 4.8832 | View | CSV | PDB |
| 6.0 | -1.1406 | 4.7908 | View | CSV | PDB |
| 6.5 | -1.2057 | 4.7499 | View | CSV | PDB |
| 7.0 | -1.239 | 4.7499 | View | CSV | PDB |
| 7.5 | -1.249 | 4.7499 | View | CSV | PDB |
| 8.0 | -1.2461 | 4.7499 | View | CSV | PDB |
| 8.5 | -1.2341 | 4.7499 | View | CSV | PDB |
| 9.0 | -1.2118 | 4.7499 | 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