| Chain sequence(s) |
A: MFQLPVNNLGSLRKARKTVKKILSDIGLEYCKEHIEDFKQFEPNDFYLKNTTWEDVGLWDPSLTKNQDYRTKPFCCSACPFSSKFFSAYKSHFRNVHSEDFENRILLNCPYCTFNADKKTLETHIKIFHAPNASAPSSSLSTFKDKNKNDGLKPKQADSVEQAVYYCKKCTYRDPLYEIVRKHIYREHFQHVAAPYIAKAGEKSLNGAVPLGSNAREESSIHCKRCLFMPKSYEALVQHVIEDHERIGYQVTAMIGHTNVVVPRSKPLMLIAPKPQDKKSMGLPPRIGSLASGNVRSLPSQQMVNRLSIPKPNLNSTGVNMMSSVHLQQNNYGVKSVGQGYSVGQSMRLGLGGNAPVSIPQQSQSVKQLLPSGNGRSYGLGSEQRSQAPARYSLQSANASSLSSGQLKSPSLSQSQASRVLGQSSSKPAAAATGPPPGNTSSTQKWKICTICNELFPENVYSVHFEKEHKAEKVPAVANYIMKIHNFTSKCLYCNRYLPTDTLLNHMLIHGLSCPYCRSTFNDVEKMAAHMRMVHIDEEMGPKTDSTLSFDLTLQQGSHTNIHLLVTTYNLRDAPAESVAYHAQNNPPVPPKPQPKVQEKADIPVKSSPQAAVPYKKDVGKTLCPLCFSILKGPISDALAHHLRERHQVIQTVHPVEKKLTYKCIHCLGVYTSNMTASTITLHLVHCRGVGKTQNGQDKTNAPSRLNQSPSLAPVKRTYEQMEFPLLKKRKLDDDSDSPSFFEEKPEEPVVLALDPKGHEDDSYEARKSFLTKYFNKQPYPTRREIEKLAASLWLWKSDIASHFSNKRKKCVRDCEKYKPGVLLGFNMKELNKVKHEMDFDAEWLFENHDEKDSRVNASKTADKKLNLGKEDDSSSDSFENLEEESNESGSPFDPVFEVEPKISNDNPEEHVLKVIPEDASESEEKLDQKEDGSKYETIHLTEEPTKLMHNASDSEVDQDDVVEWKDGASPSESGPGSQQVSDFEDNTCEMKPGTWSDESSQSEDARSSKPAAKKKATMQGDREQLKWKNSSYGKVEGFWSKDQSQWKNASENDERLSNPQIEWQNSTIDSEDGEQFDNMTDGVAEPMHGSLAGVKLSSQQA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/21f726198b4d3b1/tmp/folded.pdb (00:13:28)
[INFO] Main: Simulation completed successfully. (00:18:39)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 2.0498 | |
| 2 | F | A | 2.7825 | |
| 3 | Q | A | 1.5017 | |
| 4 | L | A | 1.9313 | |
| 5 | P | A | 0.6332 | |
| 6 | V | A | 0.5578 | |
| 7 | N | A | -1.0686 | |
| 8 | N | A | -1.6978 | |
| 9 | L | A | -1.1399 | |
| 10 | G | A | -1.6074 | |
| 11 | S | A | -1.9456 | |
| 12 | L | A | -1.9515 | |
| 13 | R | A | -3.5352 | |
| 14 | K | A | -3.4228 | |
| 15 | A | A | -2.8554 | |
| 16 | R | A | -3.8660 | |
| 17 | K | A | -3.9550 | |
| 18 | T | A | -2.2129 | |
| 19 | V | A | -1.4767 | |
| 20 | K | A | -2.4522 | |
| 21 | K | A | -2.0836 | |
| 22 | I | A | 0.5958 | |
| 23 | L | A | 1.1151 | |
| 24 | S | A | 0.0999 | |
| 25 | D | A | 0.1644 | |
| 26 | I | A | 0.7975 | |
| 27 | G | A | 0.6357 | |
| 28 | L | A | 0.8027 | |
| 29 | E | A | -0.8486 | |
| 30 | Y | A | 0.1464 | |
| 31 | C | A | -0.4289 | |
| 32 | K | A | -2.2492 | |
| 33 | E | A | -2.7696 | |
| 34 | H | A | -1.9756 | |
| 35 | I | A | -0.9257 | |
| 36 | E | A | -3.1235 | |
| 37 | D | A | -2.4854 | |
| 38 | F | A | -0.1766 | |
| 39 | K | A | -1.9401 | |
| 40 | Q | A | -1.4364 | |
| 41 | F | A | 0.1368 | |
| 42 | E | A | -1.6720 | |
| 43 | P | A | -0.4843 | |
| 44 | N | A | -1.3172 | |
| 45 | D | A | -1.5072 | |
| 46 | F | A | 0.6202 | |
| 47 | Y | A | 0.8687 | |
| 48 | L | A | 0.3575 | |
| 49 | K | A | -1.2371 | |
| 50 | N | A | -1.2311 | |
| 51 | T | A | -0.2483 | |
| 52 | T | A | -0.5667 | |
| 53 | W | A | 0.4850 | |
| 54 | E | A | -1.2171 | |
| 55 | D | A | -1.2484 | |
| 56 | V | A | 1.0983 | |
| 57 | G | A | 0.7590 | |
| 58 | L | A | 1.5865 | |
| 59 | W | A | 1.5080 | |
| 60 | D | A | 0.1159 | |
| 61 | P | A | -0.3172 | |
| 62 | S | A | -0.4037 | |
| 63 | L | A | 0.7831 | |
| 64 | T | A | -0.8298 | |
| 65 | K | A | -2.6375 | |
| 66 | N | A | -2.8808 | |
| 67 | Q | A | -2.9243 | |
| 68 | D | A | -2.4864 | |
| 69 | Y | A | -0.4159 | |
| 70 | R | A | -0.7482 | |
| 71 | T | A | -0.7410 | |
| 72 | K | A | -1.1786 | |
| 73 | P | A | 0.3890 | |
| 74 | F | A | 0.9566 | |
| 75 | C | A | 0.0000 | |
| 76 | C | A | 0.0000 | |
| 77 | S | A | 0.0129 | |
| 78 | A | A | 0.1073 | |
| 79 | C | A | 0.1020 | |
| 80 | P | A | -0.5237 | |
| 81 | F | A | 0.4771 | |
| 82 | S | A | -0.0290 | |
| 83 | S | A | 0.0000 | |
| 84 | K | A | -0.6433 | |
| 85 | F | A | 1.8094 | |
| 86 | F | A | 2.1613 | |
| 87 | S | A | 0.8818 | |
| 88 | A | A | 0.3394 | |
| 89 | Y | A | 0.1218 | |
| 90 | K | A | -1.3015 | |
| 91 | S | A | -1.1605 | |
| 92 | H | A | 0.0000 | |
| 93 | F | A | -0.8452 | |
| 94 | R | A | -2.2996 | |
| 95 | N | A | -1.6636 | |
| 96 | V | A | -0.0871 | |
| 97 | H | A | -1.0396 | |
| 98 | S | A | -1.7500 | |
| 99 | E | A | -2.0981 | |
| 100 | D | A | -1.9965 | |
| 101 | F | A | -1.6317 | |
| 102 | E | A | -2.4073 | |
| 103 | N | A | -2.3390 | |
| 104 | R | A | -1.9871 | |
| 105 | I | A | -0.2050 | |
| 106 | L | A | 0.7768 | |
| 107 | L | A | -0.1395 | |
| 108 | N | A | -0.7336 | |
| 109 | C | A | 0.0000 | |
| 110 | P | A | 0.2261 | |
| 111 | Y | A | 1.5503 | |
| 112 | C | A | 0.9952 | |
| 113 | T | A | 0.1783 | |
| 114 | F | A | 0.5332 | |
| 115 | N | A | -0.5782 | |
| 116 | A | A | 0.0000 | |
| 117 | D | A | -1.5337 | |
| 118 | K | A | -2.3972 | |
| 119 | K | A | -2.8568 | |
| 120 | T | A | -1.7004 | |
| 121 | L | A | 0.0000 | |
| 122 | E | A | -2.7281 | |
| 123 | T | A | -1.2120 | |
| 124 | H | A | 0.0000 | |
| 125 | I | A | 0.2297 | |
| 126 | K | A | -0.6084 | |
| 127 | I | A | 1.7872 | |
| 128 | F | A | 2.5048 | |
| 129 | H | A | 0.7756 | |
| 130 | A | A | -0.0297 | |
| 131 | P | A | -0.6433 | |
| 132 | N | A | -1.0297 | |
| 133 | A | A | -0.7452 | |
| 134 | S | A | -0.5972 | |
| 135 | A | A | -0.4282 | |
| 136 | P | A | -0.4538 | |
| 137 | S | A | -0.4988 | |
| 138 | S | A | -0.1094 | |
| 139 | S | A | 0.3026 | |
| 140 | L | A | 1.4752 | |
| 141 | S | A | 0.7438 | |
| 142 | T | A | 0.5575 | |
| 143 | F | A | 0.8012 | |
| 144 | K | A | -2.0732 | |
| 145 | D | A | -3.3318 | |
| 146 | K | A | -3.9785 | |
| 147 | N | A | -3.6434 | |
| 148 | K | A | -3.7581 | |
| 149 | N | A | -3.2269 | |
| 150 | D | A | -2.7235 | |
| 151 | G | A | -1.2624 | |
| 152 | L | A | -0.3293 | |
| 153 | K | A | -1.8365 | |
| 154 | P | A | -1.8697 | |
| 155 | K | A | -2.8459 | |
| 156 | Q | A | -2.7444 | |
| 157 | A | A | -1.6950 | |
| 158 | D | A | -2.4801 | |
| 159 | S | A | -0.8351 | |
| 160 | V | A | 0.3217 | |
| 161 | E | A | -1.0461 | |
| 162 | Q | A | -0.4879 | |
| 163 | A | A | -0.5476 | |
| 164 | V | A | 0.0000 | |
| 165 | Y | A | -0.7363 | |
| 166 | Y | A | -0.7900 | |
| 167 | C | A | 0.0000 | |
| 168 | K | A | -2.3269 | |
| 169 | K | A | -2.2994 | |
| 170 | C | A | -0.8267 | |
| 171 | T | A | -0.4384 | |
| 172 | Y | A | -0.5062 | |
| 173 | R | A | -1.4867 | |
| 174 | D | A | -0.8427 | |
| 175 | P | A | -0.4420 | |
| 176 | L | A | 0.4613 | |
| 177 | Y | A | -0.2210 | |
| 178 | E | A | -0.9061 | |
| 179 | I | A | -0.2157 | |
| 180 | V | A | 0.0000 | |
| 181 | R | A | -1.0589 | |
| 182 | K | A | -1.8547 | |
| 183 | H | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | Y | A | -1.6900 | |
| 186 | R | A | -3.0701 | |
| 187 | E | A | -3.2000 | |
| 188 | H | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | Q | A | -2.0836 | |
| 191 | H | A | -1.9307 | |
| 192 | V | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | A | A | -0.7817 | |
| 195 | P | A | -0.9187 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | -0.7439 | |
| 198 | A | A | -1.1178 | |
| 199 | K | A | -1.8826 | |
| 200 | A | A | -1.6538 | |
| 201 | G | A | -2.1688 | |
| 202 | E | A | -2.9213 | |
| 203 | K | A | -2.7295 | |
| 204 | S | A | -1.1426 | |
| 205 | L | A | 0.1341 | |
| 206 | N | A | -1.0051 | |
| 207 | G | A | -0.4113 | |
| 208 | A | A | 0.5002 | |
| 209 | V | A | 1.8821 | |
| 210 | P | A | 1.1846 | |
| 211 | L | A | 1.5079 | |
| 212 | G | A | -0.1672 | |
| 213 | S | A | -0.7344 | |
| 214 | N | A | -2.0757 | |
| 215 | A | A | -2.1480 | |
| 216 | R | A | -3.5042 | |
| 217 | E | A | -3.8234 | |
| 218 | E | A | -3.5177 | |
| 219 | S | A | -2.3465 | |
| 220 | S | A | -1.3271 | |
| 221 | I | A | -0.4568 | |
| 222 | H | A | 0.1047 | |
| 223 | C | A | 0.0000 | |
| 224 | K | A | -1.6253 | |
| 225 | R | A | -1.7376 | |
| 226 | C | A | 0.2258 | |
| 227 | L | A | 1.6159 | |
| 228 | F | A | 1.6428 | |
| 229 | M | A | 1.2717 | |
| 230 | P | A | -0.3176 | |
| 231 | K | A | -1.8816 | |
| 232 | S | A | -1.3924 | |
| 233 | Y | A | -0.8505 | |
| 234 | E | A | -2.1209 | |
| 235 | A | A | -1.1869 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | -1.2881 | |
| 238 | Q | A | -1.9959 | |
| 239 | H | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | -1.7130 | |
| 242 | E | A | -3.0753 | |
| 243 | D | A | -3.2108 | |
| 244 | H | A | -3.0767 | |
| 245 | E | A | -3.3274 | |
| 246 | R | A | -2.6543 | |
| 247 | I | A | 0.0000 | |
| 248 | G | A | -0.9903 | |
| 249 | Y | A | -0.0904 | |
| 250 | Q | A | -0.5583 | |
| 251 | V | A | 0.0000 | |
| 252 | T | A | 0.0525 | |
| 253 | A | A | 0.0277 | |
| 254 | M | A | -0.6953 | |
| 255 | I | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | H | A | -1.4013 | |
| 258 | T | A | -1.0936 | |
| 259 | N | A | -1.1025 | |
| 260 | V | A | 0.5460 | |
| 261 | V | A | 1.3991 | |
| 262 | V | A | 0.8127 | |
| 263 | P | A | -0.8065 | |
| 264 | R | A | -2.3954 | |
| 265 | S | A | -1.7056 | |
| 266 | K | A | -1.8880 | |
| 267 | P | A | -0.1181 | |
| 268 | L | A | 2.2192 | |
| 269 | M | A | 2.8859 | |
| 270 | L | A | 3.4952 | |
| 271 | I | A | 3.0504 | |
| 272 | A | A | 1.1559 | |
| 273 | P | A | -0.5149 | |
| 274 | K | A | -2.2118 | |
| 275 | P | A | -2.4655 | |
| 276 | Q | A | -3.4334 | |
| 277 | D | A | -3.8646 | |
| 278 | K | A | -3.7193 | |
| 279 | K | A | -2.9189 | |
| 280 | S | A | -0.8595 | |
| 281 | M | A | 0.2752 | |
| 282 | G | A | 0.4534 | |
| 283 | L | A | 1.3135 | |
| 284 | P | A | 0.1983 | |
| 285 | P | A | -0.5354 | |
| 286 | R | A | -1.1025 | |
| 287 | I | A | 0.7587 | |
| 288 | G | A | 0.3773 | |
| 289 | S | A | 0.7179 | |
| 290 | L | A | 1.3344 | |
| 291 | A | A | 0.6576 | |
| 292 | S | A | -0.3355 | |
| 293 | G | A | -0.8538 | |
| 294 | N | A | -1.0735 | |
| 295 | V | A | 0.0863 | |
| 296 | R | A | -0.9865 | |
| 297 | S | A | -0.0400 | |
| 298 | L | A | 0.8843 | |
| 299 | P | A | 0.1841 | |
| 300 | S | A | -0.8532 | |
| 301 | Q | A | -1.7771 | |
| 302 | Q | A | -0.9793 | |
| 303 | M | A | 0.6961 | |
| 304 | V | A | 0.8698 | |
| 305 | N | A | -0.6547 | |
| 306 | R | A | -1.2997 | |
| 307 | L | A | 0.6668 | |
| 308 | S | A | 0.9884 | |
| 309 | I | A | 1.7802 | |
| 310 | P | A | -0.1865 | |
| 311 | K | A | -1.8524 | |
| 312 | P | A | -1.4374 | |
| 313 | N | A | -1.3125 | |
| 314 | L | A | 0.1539 | |
| 315 | N | A | -0.8048 | |
| 316 | S | A | -0.6345 | |
| 317 | T | A | -0.2921 | |
| 318 | G | A | 0.1800 | |
| 319 | V | A | 1.1028 | |
| 320 | N | A | 0.2994 | |
| 321 | M | A | 1.1755 | |
| 322 | M | A | 1.1141 | |
| 323 | S | A | 0.8002 | |
| 324 | S | A | 0.5707 | |
| 325 | V | A | 1.4705 | |
| 326 | H | A | 0.4116 | |
| 327 | L | A | 0.5787 | |
| 328 | Q | A | -1.5547 | |
| 329 | Q | A | -2.3696 | |
| 330 | N | A | -2.4854 | |
| 331 | N | A | -1.6373 | |
| 332 | Y | A | 0.6311 | |
| 333 | G | A | 0.5955 | |
| 334 | V | A | 1.0011 | |
| 335 | K | A | -0.7529 | |
| 336 | S | A | -0.0555 | |
| 337 | V | A | 0.8589 | |
| 338 | G | A | -0.1850 | |
| 339 | Q | A | -1.0592 | |
| 340 | G | A | -0.6542 | |
| 341 | Y | A | 1.1037 | |
| 342 | S | A | 1.1635 | |
| 343 | V | A | 1.4800 | |
| 344 | G | A | -0.2530 | |
| 345 | Q | A | -0.9911 | |
| 346 | S | A | -0.8433 | |
| 347 | M | A | 0.0194 | |
| 348 | R | A | -0.6846 | |
| 349 | L | A | 0.9048 | |
| 350 | G | A | 0.6560 | |
| 351 | L | A | 1.2933 | |
| 352 | G | A | 0.0053 | |
| 353 | G | A | -0.9498 | |
| 354 | N | A | -1.6133 | |
| 355 | A | A | -0.4314 | |
| 356 | P | A | 0.3211 | |
| 357 | V | A | 1.9389 | |
| 358 | S | A | 1.4908 | |
| 359 | I | A | 1.8338 | |
| 360 | P | A | -0.2448 | |
| 361 | Q | A | -1.4689 | |
| 362 | Q | A | -2.1877 | |
| 363 | S | A | -1.6896 | |
| 364 | Q | A | -1.3223 | |
| 365 | S | A | -0.5447 | |
| 366 | V | A | 0.2280 | |
| 367 | K | A | -1.1282 | |
| 368 | Q | A | -0.6784 | |
| 369 | L | A | 1.4272 | |
| 370 | L | A | 1.9870 | |
| 371 | P | A | 0.6015 | |
| 372 | S | A | -0.5304 | |
| 373 | G | A | -1.3220 | |
| 374 | N | A | -2.1638 | |
| 375 | G | A | -2.0907 | |
| 376 | R | A | -2.1903 | |
| 377 | S | A | -0.6989 | |
| 378 | Y | A | 0.9408 | |
| 379 | G | A | 0.7677 | |
| 380 | L | A | 1.3277 | |
| 381 | G | A | -0.2841 | |
| 382 | S | A | -1.3185 | |
| 383 | E | A | -3.0575 | |
| 384 | Q | A | -3.2800 | |
| 385 | R | A | -3.2060 | |
| 386 | S | A | -2.0212 | |
| 387 | Q | A | -1.9039 | |
| 388 | A | A | -0.9229 | |
| 389 | P | A | -0.9391 | |
| 390 | A | A | -0.8682 | |
| 391 | R | A | -1.2861 | |
| 392 | Y | A | 0.5625 | |
| 393 | S | A | 0.6028 | |
| 394 | L | A | 1.1112 | |
| 395 | Q | A | -0.4329 | |
| 396 | S | A | -0.6925 | |
| 397 | A | A | -0.9989 | |
| 398 | N | A | -1.3276 | |
| 399 | A | A | -0.8059 | |
| 400 | S | A | -0.2585 | |
| 401 | S | A | 0.3474 | |
| 402 | L | A | 1.1668 | |
| 403 | S | A | 0.2825 | |
| 404 | S | A | -0.2936 | |
| 405 | G | A | -0.6588 | |
| 406 | Q | A | -0.9926 | |
| 407 | L | A | -0.1261 | |
| 408 | K | A | -1.3733 | |
| 409 | S | A | -0.9347 | |
| 410 | P | A | -0.5868 | |
| 411 | S | A | 0.3509 | |
| 412 | L | A | 1.0486 | |
| 413 | S | A | -0.1173 | |
| 414 | Q | A | -1.3619 | |
| 415 | S | A | -1.4718 | |
| 416 | Q | A | -1.7519 | |
| 417 | A | A | -0.9760 | |
| 418 | S | A | -1.0774 | |
| 419 | R | A | -0.8352 | |
| 420 | V | A | 1.4232 | |
| 421 | L | A | 1.6642 | |
| 422 | G | A | -0.0263 | |
| 423 | Q | A | -1.1044 | |
| 424 | S | A | -1.3004 | |
| 425 | S | A | -1.0967 | |
| 426 | S | A | -1.3360 | |
| 427 | K | A | -2.0111 | |
| 428 | P | A | -1.2244 | |
| 429 | A | A | -0.4414 | |
| 430 | A | A | 0.0798 | |
| 431 | A | A | 0.1171 | |
| 432 | A | A | -0.3651 | |
| 433 | T | A | -0.5752 | |
| 434 | G | A | -0.8013 | |
| 435 | P | A | -0.7272 | |
| 436 | P | A | -0.8390 | |
| 437 | P | A | -1.0175 | |
| 438 | G | A | -1.3316 | |
| 439 | N | A | -1.7168 | |
| 440 | T | A | -1.0133 | |
| 441 | S | A | -0.9197 | |
| 442 | S | A | -1.1833 | |
| 443 | T | A | -1.1093 | |
| 444 | Q | A | -2.2675 | |
| 445 | K | A | -2.5528 | |
| 446 | W | A | -0.3786 | |
| 447 | K | A | -0.5616 | |
| 448 | I | A | 0.9649 | |
| 449 | C | A | 0.0000 | |
| 450 | T | A | 0.1553 | |
| 451 | I | A | 0.3152 | |
| 452 | C | A | -0.1858 | |
| 453 | N | A | -1.0142 | |
| 454 | E | A | -1.0099 | |
| 455 | L | A | 0.9146 | |
| 456 | F | A | 0.0366 | |
| 457 | P | A | -0.7687 | |
| 458 | E | A | -1.8829 | |
| 459 | N | A | -1.5800 | |
| 460 | V | A | 0.5920 | |
| 461 | Y | A | 0.0000 | |
| 462 | S | A | -0.5488 | |
| 463 | V | A | -0.0382 | |
| 464 | H | A | 0.0000 | |
| 465 | F | A | 0.0000 | |
| 466 | E | A | -3.6946 | |
| 467 | K | A | -3.6391 | |
| 468 | E | A | -3.2816 | |
| 469 | H | A | -2.7449 | |
| 470 | K | A | -3.9852 | |
| 471 | A | A | -3.1444 | |
| 472 | E | A | -2.4240 | |
| 473 | K | A | -2.4933 | |
| 474 | V | A | 0.0000 | |
| 475 | P | A | 0.0000 | |
| 476 | A | A | 0.0000 | |
| 477 | V | A | -0.2182 | |
| 478 | A | A | 0.0000 | |
| 479 | N | A | -0.8272 | |
| 480 | Y | A | 0.0000 | |
| 481 | I | A | 0.0000 | |
| 482 | M | A | 0.2137 | |
| 483 | K | A | -0.0696 | |
| 484 | I | A | 0.3235 | |
| 485 | H | A | -0.8072 | |
| 486 | N | A | -0.8003 | |
| 487 | F | A | 0.7271 | |
| 488 | T | A | 0.2336 | |
| 489 | S | A | 0.0000 | |
| 490 | K | A | -0.3329 | |
| 491 | C | A | 0.0000 | |
| 492 | L | A | 0.5202 | |
| 493 | Y | A | 0.7582 | |
| 494 | C | A | 0.1130 | |
| 495 | N | A | -1.1547 | |
| 496 | R | A | -1.5190 | |
| 497 | Y | A | 0.0112 | |
| 498 | L | A | 0.0000 | |
| 499 | P | A | -0.2133 | |
| 500 | T | A | -0.7116 | |
| 501 | D | A | -1.7877 | |
| 502 | T | A | -1.2469 | |
| 503 | L | A | 0.0000 | |
| 504 | L | A | -0.4637 | |
| 505 | N | A | -1.2382 | |
| 506 | H | A | -0.5040 | |
| 507 | M | A | 0.0000 | |
| 508 | L | A | 0.1113 | |
| 509 | I | A | 1.3136 | |
| 510 | H | A | 0.6146 | |
| 511 | G | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | S | A | 0.0000 | |
| 514 | C | A | 0.0000 | |
| 515 | P | A | -0.2197 | |
| 516 | Y | A | 0.0930 | |
| 517 | C | A | -0.0750 | |
| 518 | R | A | -1.5247 | |
| 519 | S | A | -0.7547 | |
| 520 | T | A | -0.9018 | |
| 521 | F | A | -1.1250 | |
| 522 | N | A | -1.4511 | |
| 523 | D | A | -1.8576 | |
| 524 | V | A | 0.0000 | |
| 525 | E | A | -2.6844 | |
| 526 | K | A | -2.9282 | |
| 527 | M | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | A | A | -1.1250 | |
| 530 | H | A | 0.0000 | |
| 531 | M | A | -0.1514 | |
| 532 | R | A | -0.6069 | |
| 533 | M | A | 1.4892 | |
| 534 | V | A | 1.9188 | |
| 535 | H | A | 0.3902 | |
| 536 | I | A | 0.5638 | |
| 537 | D | A | -2.0750 | |
| 538 | E | A | -2.5263 | |
| 539 | E | A | -2.8787 | |
| 540 | M | A | -1.7241 | |
| 541 | G | A | -1.3923 | |
| 542 | P | A | -1.5910 | |
| 543 | K | A | -2.3873 | |
| 544 | T | A | -2.1010 | |
| 545 | D | A | -2.3075 | |
| 546 | S | A | 0.0000 | |
| 547 | T | A | -0.6463 | |
| 548 | L | A | -0.0280 | |
| 549 | S | A | -0.1340 | |
| 550 | F | A | -0.0597 | |
| 551 | D | A | -0.3949 | |
| 552 | L | A | -0.0637 | |
| 553 | T | A | -0.4352 | |
| 554 | L | A | -1.2255 | |
| 555 | Q | A | -2.0064 | |
| 556 | Q | A | -2.3288 | |
| 557 | G | A | -1.5639 | |
| 558 | S | A | -1.4708 | |
| 559 | H | A | -1.8877 | |
| 560 | T | A | -1.6929 | |
| 561 | N | A | -1.5708 | |
| 562 | I | A | 0.0000 | |
| 563 | H | A | -1.4335 | |
| 564 | L | A | 0.0000 | |
| 565 | L | A | -0.0994 | |
| 566 | V | A | 0.0000 | |
| 567 | T | A | -0.2977 | |
| 568 | T | A | 0.0000 | |
| 569 | Y | A | -0.3698 | |
| 570 | N | A | -0.8135 | |
| 571 | L | A | 0.1577 | |
| 572 | R | A | -1.9883 | |
| 573 | D | A | -2.2512 | |
| 574 | A | A | -1.1428 | |
| 575 | P | A | -1.1579 | |
| 576 | A | A | -0.7904 | |
| 577 | E | A | -1.2091 | |
| 578 | S | A | -0.0129 | |
| 579 | V | A | 1.3291 | |
| 580 | A | A | 0.7430 | |
| 581 | Y | A | 0.8091 | |
| 582 | H | A | -0.4353 | |
| 583 | A | A | -0.9012 | |
| 584 | Q | A | -2.2340 | |
| 585 | N | A | -2.7049 | |
| 586 | N | A | -2.3733 | |
| 587 | P | A | -0.9898 | |
| 588 | P | A | 0.1587 | |
| 589 | V | A | 1.4264 | |
| 590 | P | A | 0.0604 | |
| 591 | P | A | -0.8786 | |
| 592 | K | A | -2.2680 | |
| 593 | P | A | -1.7893 | |
| 594 | Q | A | -2.1585 | |
| 595 | P | A | -1.3773 | |
| 596 | K | A | -1.3445 | |
| 597 | V | A | -0.1300 | |
| 598 | Q | A | -2.0559 | |
| 599 | E | A | -2.8873 | |
| 600 | K | A | -3.1669 | |
| 601 | A | A | -1.7911 | |
| 602 | D | A | -1.2498 | |
| 603 | I | A | 1.3985 | |
| 604 | P | A | 0.7555 | |
| 605 | V | A | 1.1606 | |
| 606 | K | A | -1.0230 | |
| 607 | S | A | -0.8400 | |
| 608 | S | A | -1.0366 | |
| 609 | P | A | -0.9477 | |
| 610 | Q | A | -1.1247 | |
| 611 | A | A | -0.2567 | |
| 612 | A | A | 0.7293 | |
| 613 | V | A | 1.7391 | |
| 614 | P | A | 0.4538 | |
| 615 | Y | A | 0.1954 | |
| 616 | K | A | -2.0700 | |
| 617 | K | A | -2.5660 | |
| 618 | D | A | -2.2369 | |
| 619 | V | A | -0.4420 | |
| 620 | G | A | -0.8597 | |
| 621 | K | A | -1.3902 | |
| 622 | T | A | 0.1724 | |
| 623 | L | A | 1.2557 | |
| 624 | C | A | 0.0000 | |
| 625 | P | A | 0.6889 | |
| 626 | L | A | 0.6038 | |
| 627 | C | A | 1.4123 | |
| 628 | F | A | 2.6601 | |
| 629 | S | A | 1.4994 | |
| 630 | I | A | 1.2846 | |
| 631 | L | A | -0.1050 | |
| 632 | K | A | -1.3116 | |
| 633 | G | A | -1.2271 | |
| 634 | P | A | -1.1793 | |
| 635 | I | A | -0.3190 | |
| 636 | S | A | -0.7906 | |
| 637 | D | A | -1.9090 | |
| 638 | A | A | -1.3163 | |
| 639 | L | A | -0.9336 | |
| 640 | A | A | -1.5424 | |
| 641 | H | A | -2.6005 | |
| 642 | H | A | -2.2168 | |
| 643 | L | A | 0.0000 | |
| 644 | R | A | -2.6730 | |
| 645 | E | A | -3.4897 | |
| 646 | R | A | -3.1362 | |
| 647 | H | A | 0.0000 | |
| 648 | Q | A | -1.4399 | |
| 649 | V | A | 0.0000 | |
| 650 | I | A | -0.1639 | |
| 651 | Q | A | -0.1956 | |
| 652 | T | A | 0.3572 | |
| 653 | V | A | 0.6349 | |
| 654 | H | A | -0.2241 | |
| 655 | P | A | -0.1321 | |
| 656 | V | A | 0.6903 | |
| 657 | E | A | -1.5713 | |
| 658 | K | A | -1.8395 | |
| 659 | K | A | -1.1806 | |
| 660 | L | A | -0.1471 | |
| 661 | T | A | 0.0000 | |
| 662 | Y | A | 0.0000 | |
| 663 | K | A | 0.7628 | |
| 664 | C | A | 0.0000 | |
| 665 | I | A | 1.2712 | |
| 666 | H | A | 0.3277 | |
| 667 | C | A | 1.2436 | |
| 668 | L | A | 2.1565 | |
| 669 | G | A | 1.2625 | |
| 670 | V | A | 1.4713 | |
| 671 | Y | A | 0.0000 | |
| 672 | T | A | -0.1843 | |
| 673 | S | A | -0.4571 | |
| 674 | N | A | -1.1535 | |
| 675 | M | A | -0.2980 | |
| 676 | T | A | -0.1289 | |
| 677 | A | A | 0.0798 | |
| 678 | S | A | 0.3055 | |
| 679 | T | A | 0.6090 | |
| 680 | I | A | 0.0000 | |
| 681 | T | A | 0.9460 | |
| 682 | L | A | 1.6911 | |
| 683 | H | A | 0.5608 | |
| 684 | L | A | 0.8742 | |
| 685 | V | A | 1.5653 | |
| 686 | H | A | -0.2285 | |
| 687 | C | A | -0.5243 | |
| 688 | R | A | -2.2425 | |
| 689 | G | A | -1.2022 | |
| 690 | V | A | -0.6320 | |
| 691 | G | A | -1.7368 | |
| 692 | K | A | -2.6847 | |
| 693 | T | A | -1.8905 | |
| 694 | Q | A | -2.5342 | |
| 695 | N | A | -2.9680 | |
| 696 | G | A | -2.5969 | |
| 697 | Q | A | -3.3804 | |
| 698 | D | A | -3.7650 | |
| 699 | K | A | -3.2613 | |
| 700 | T | A | -2.0601 | |
| 701 | N | A | -1.8605 | |
| 702 | A | A | -0.7578 | |
| 703 | P | A | -0.9499 | |
| 704 | S | A | -1.2013 | |
| 705 | R | A | -1.5186 | |
| 706 | L | A | -0.3596 | |
| 707 | N | A | -1.4497 | |
| 708 | Q | A | -1.6519 | |
| 709 | S | A | -1.3071 | |
| 710 | P | A | -0.4738 | |
| 711 | S | A | 0.3735 | |
| 712 | L | A | 1.3776 | |
| 713 | A | A | 1.0661 | |
| 714 | P | A | 0.3371 | |
| 715 | V | A | 0.3828 | |
| 716 | K | A | -1.6730 | |
| 717 | R | A | -2.2343 | |
| 718 | T | A | -1.2095 | |
| 719 | Y | A | -0.3921 | |
| 720 | E | A | -1.9695 | |
| 721 | Q | A | -1.5457 | |
| 722 | M | A | -0.3195 | |
| 723 | E | A | -0.9949 | |
| 724 | F | A | 1.5652 | |
| 725 | P | A | 1.4225 | |
| 726 | L | A | 2.3509 | |
| 727 | L | A | 1.1677 | |
| 728 | K | A | -2.2266 | |
| 729 | K | A | -3.5793 | |
| 730 | R | A | -3.7113 | |
| 731 | K | A | -2.9386 | |
| 732 | L | A | -1.0393 | |
| 733 | D | A | -2.7108 | |
| 734 | D | A | -3.3514 | |
| 735 | D | A | -3.6279 | |
| 736 | S | A | -2.3558 | |
| 737 | D | A | -2.3924 | |
| 738 | S | A | -1.5608 | |
| 739 | P | A | -0.2192 | |
| 740 | S | A | 0.9821 | |
| 741 | F | A | 2.2715 | |
| 742 | F | A | 1.6480 | |
| 743 | E | A | -1.1839 | |
| 744 | E | A | -2.8979 | |
| 745 | K | A | -3.4846 | |
| 746 | P | A | -3.0769 | |
| 747 | E | A | -3.4797 | |
| 748 | E | A | -2.8276 | |
| 749 | P | A | -0.9598 | |
| 750 | V | A | -0.0828 | |
| 751 | V | A | 1.4093 | |
| 752 | L | A | 0.3537 | |
| 753 | A | A | -0.4668 | |
| 754 | L | A | -1.0866 | |
| 755 | D | A | -2.0255 | |
| 756 | P | A | 0.0000 | |
| 757 | K | A | -2.9430 | |
| 758 | G | A | -2.4322 | |
| 759 | H | A | -2.3105 | |
| 760 | E | A | -2.1714 | |
| 761 | D | A | -2.8322 | |
| 762 | D | A | -2.1339 | |
| 763 | S | A | -1.4851 | |
| 764 | Y | A | -0.9342 | |
| 765 | E | A | -1.9507 | |
| 766 | A | A | -1.5199 | |
| 767 | R | A | 0.0000 | |
| 768 | K | A | -1.5648 | |
| 769 | S | A | -1.3326 | |
| 770 | F | A | 0.0000 | |
| 771 | L | A | 0.0000 | |
| 772 | T | A | -1.6361 | |
| 773 | K | A | -2.5868 | |
| 774 | Y | A | 0.0000 | |
| 775 | F | A | -1.5719 | |
| 776 | N | A | -2.5851 | |
| 777 | K | A | -2.5676 | |
| 778 | Q | A | -1.1814 | |
| 779 | P | A | -0.6661 | |
| 780 | Y | A | 0.5760 | |
| 781 | P | A | -0.4928 | |
| 782 | T | A | -1.4158 | |
| 783 | R | A | -3.2210 | |
| 784 | R | A | -3.2894 | |
| 785 | E | A | 0.0000 | |
| 786 | I | A | 0.0000 | |
| 787 | E | A | -2.9610 | |
| 788 | K | A | -1.8091 | |
| 789 | L | A | 0.0000 | |
| 790 | A | A | -0.6835 | |
| 791 | A | A | -0.2585 | |
| 792 | S | A | -0.9764 | |
| 793 | L | A | 0.0000 | |
| 794 | W | A | 0.6851 | |
| 795 | L | A | 0.0000 | |
| 796 | W | A | 0.3659 | |
| 797 | K | A | -1.6244 | |
| 798 | S | A | -0.8667 | |
| 799 | D | A | -0.6496 | |
| 800 | I | A | 0.0000 | |
| 801 | A | A | -0.8322 | |
| 802 | S | A | -0.5322 | |
| 803 | H | A | 0.0000 | |
| 804 | F | A | 0.0000 | |
| 805 | S | A | -1.0775 | |
| 806 | N | A | -1.3461 | |
| 807 | K | A | -1.7638 | |
| 808 | R | A | -1.5577 | |
| 809 | K | A | -2.4636 | |
| 810 | K | A | -2.4678 | |
| 811 | C | A | -1.3080 | |
| 812 | V | A | -0.8061 | |
| 813 | R | A | -2.8968 | |
| 814 | D | A | -2.8285 | |
| 815 | C | A | -1.7078 | |
| 816 | E | A | -3.0333 | |
| 817 | K | A | -2.8669 | |
| 818 | Y | A | -1.3630 | |
| 819 | K | A | -2.3471 | |
| 820 | P | A | -0.7849 | |
| 821 | G | A | 0.7064 | |
| 822 | V | A | 2.4288 | |
| 823 | L | A | 3.1405 | |
| 824 | L | A | 2.9833 | |
| 825 | G | A | 1.6285 | |
| 826 | F | A | 1.2805 | |
| 827 | N | A | -1.2245 | |
| 828 | M | A | -0.9089 | |
| 829 | K | A | -2.3390 | |
| 830 | E | A | -2.8086 | |
| 831 | L | A | -1.5197 | |
| 832 | N | A | -2.4421 | |
| 833 | K | A | -2.5599 | |
| 834 | V | A | -0.8981 | |
| 835 | K | A | -1.8266 | |
| 836 | H | A | -1.8944 | |
| 837 | E | A | -2.1029 | |
| 838 | M | A | -1.4440 | |
| 839 | D | A | -2.2246 | |
| 840 | F | A | -1.5359 | |
| 841 | D | A | -2.2375 | |
| 842 | A | A | -1.1648 | |
| 843 | E | A | -1.4051 | |
| 844 | W | A | -0.0560 | |
| 845 | L | A | -0.1395 | |
| 846 | F | A | 0.3762 | |
| 847 | E | A | -2.0595 | |
| 848 | N | A | -3.0526 | |
| 849 | H | A | -3.4460 | |
| 850 | D | A | -4.6175 | |
| 851 | E | A | -4.6352 | |
| 852 | K | A | -4.4796 | |
| 853 | D | A | -3.7280 | |
| 854 | S | A | -2.7702 | |
| 855 | R | A | -2.3721 | |
| 856 | V | A | -0.0958 | |
| 857 | N | A | -1.0733 | |
| 858 | A | A | -0.8765 | |
| 859 | S | A | -1.1132 | |
| 860 | K | A | -1.9720 | |
| 861 | T | A | -1.3107 | |
| 862 | A | A | -1.5202 | |
| 863 | D | A | -2.9378 | |
| 864 | K | A | -3.0660 | |
| 865 | K | A | -2.2628 | |
| 866 | L | A | -0.0612 | |
| 867 | N | A | -0.1919 | |
| 868 | L | A | 0.5249 | |
| 869 | G | A | -1.2548 | |
| 870 | K | A | -3.3359 | |
| 871 | E | A | -4.2634 | |
| 872 | D | A | -4.3233 | |
| 873 | D | A | -3.6042 | |
| 874 | S | A | -1.7439 | |
| 875 | S | A | -1.2330 | |
| 876 | S | A | -1.3852 | |
| 877 | D | A | -1.6676 | |
| 878 | S | A | -0.5904 | |
| 879 | F | A | 0.2016 | |
| 880 | E | A | -1.0774 | |
| 881 | N | A | -1.5088 | |
| 882 | L | A | -0.8366 | |
| 883 | E | A | -2.7621 | |
| 884 | E | A | -3.6205 | |
| 885 | E | A | -3.5309 | |
| 886 | S | A | -2.4283 | |
| 887 | N | A | -2.6297 | |
| 888 | E | A | -2.6827 | |
| 889 | S | A | -1.7453 | |
| 890 | G | A | -1.1263 | |
| 891 | S | A | -0.2837 | |
| 892 | P | A | 0.0777 | |
| 893 | F | A | 0.7374 | |
| 894 | D | A | -0.5017 | |
| 895 | P | A | 0.5540 | |
| 896 | V | A | 1.7896 | |
| 897 | F | A | 2.2751 | |
| 898 | E | A | -0.0517 | |
| 899 | V | A | 0.1664 | |
| 900 | E | A | -1.7643 | |
| 901 | P | A | -1.3495 | |
| 902 | K | A | -1.2212 | |
| 903 | I | A | 0.5043 | |
| 904 | S | A | -0.6976 | |
| 905 | N | A | -2.0393 | |
| 906 | D | A | -3.1213 | |
| 907 | N | A | -2.8934 | |
| 908 | P | A | -2.5384 | |
| 909 | E | A | -3.2876 | |
| 910 | E | A | -2.6496 | |
| 911 | H | A | -1.1191 | |
| 912 | V | A | 1.1579 | |
| 913 | L | A | 1.5374 | |
| 914 | K | A | 0.7587 | |
| 915 | V | A | 2.2997 | |
| 916 | I | A | 2.0312 | |
| 917 | P | A | -0.3448 | |
| 918 | E | A | -2.4134 | |
| 919 | D | A | -2.7974 | |
| 920 | A | A | -1.8832 | |
| 921 | S | A | -1.6250 | |
| 922 | E | A | -2.4045 | |
| 923 | S | A | -2.4704 | |
| 924 | E | A | -3.6683 | |
| 925 | E | A | -3.3678 | |
| 926 | K | A | -2.4923 | |
| 927 | L | A | -0.8858 | |
| 928 | D | A | -2.4530 | |
| 929 | Q | A | -3.0226 | |
| 930 | K | A | -4.1411 | |
| 931 | E | A | -4.0941 | |
| 932 | D | A | -3.5245 | |
| 933 | G | A | -2.5881 | |
| 934 | S | A | -1.3507 | |
| 935 | K | A | -1.6211 | |
| 936 | Y | A | -0.4330 | |
| 937 | E | A | -1.1673 | |
| 938 | T | A | -0.0273 | |
| 939 | I | A | 1.3128 | |
| 940 | H | A | 0.6764 | |
| 941 | L | A | 1.0229 | |
| 942 | T | A | -0.5556 | |
| 943 | E | A | -2.4049 | |
| 944 | E | A | -2.8462 | |
| 945 | P | A | -1.9623 | |
| 946 | T | A | -1.0776 | |
| 947 | K | A | -0.7421 | |
| 948 | L | A | 1.0256 | |
| 949 | M | A | 0.8038 | |
| 950 | H | A | -0.8708 | |
| 951 | N | A | -1.6120 | |
| 952 | A | A | -1.2171 | |
| 953 | S | A | -1.3286 | |
| 954 | D | A | -2.3660 | |
| 955 | S | A | -1.7492 | |
| 956 | E | A | -1.7105 | |
| 957 | V | A | -0.4033 | |
| 958 | D | A | -2.2012 | |
| 959 | Q | A | -3.0486 | |
| 960 | D | A | -3.3285 | |
| 961 | D | A | -1.7709 | |
| 962 | V | A | 1.0389 | |
| 963 | V | A | 1.6541 | |
| 964 | E | A | -0.4057 | |
| 965 | W | A | -0.6357 | |
| 966 | K | A | -2.3587 | |
| 967 | D | A | -2.5539 | |
| 968 | G | A | -1.6817 | |
| 969 | A | A | -0.6905 | |
| 970 | S | A | -0.4569 | |
| 971 | P | A | -0.8169 | |
| 972 | S | A | -1.3390 | |
| 973 | E | A | -2.1736 | |
| 974 | S | A | -1.4277 | |
| 975 | G | A | -1.1600 | |
| 976 | P | A | -0.7860 | |
| 977 | G | A | -1.0332 | |
| 978 | S | A | -1.3312 | |
| 979 | Q | A | -1.6933 | |
| 980 | Q | A | -1.1052 | |
| 981 | V | A | 0.4927 | |
| 982 | S | A | 0.0633 | |
| 983 | D | A | -0.9155 | |
| 984 | F | A | -0.1948 | |
| 985 | E | A | -2.3750 | |
| 986 | D | A | -2.9954 | |
| 987 | N | A | -2.5196 | |
| 988 | T | A | -1.0319 | |
| 989 | C | A | -0.2567 | |
| 990 | E | A | -1.3216 | |
| 991 | M | A | -0.6556 | |
| 992 | K | A | -1.6997 | |
| 993 | P | A | -1.0657 | |
| 994 | G | A | -0.6976 | |
| 995 | T | A | 0.1379 | |
| 996 | W | A | 0.5607 | |
| 997 | S | A | -0.8869 | |
| 998 | D | A | -2.5270 | |
| 999 | E | A | -2.8386 | |
| 1000 | S | A | -1.7730 | |
| 1001 | S | A | -1.2969 | |
| 1002 | Q | A | -1.8147 | |
| 1003 | S | A | -2.0922 | |
| 1004 | E | A | -2.9992 | |
| 1005 | D | A | -3.0075 | |
| 1006 | A | A | -2.1687 | |
| 1007 | R | A | -2.3251 | |
| 1008 | S | A | -1.6190 | |
| 1009 | S | A | -1.5543 | |
| 1010 | K | A | -1.9518 | |
| 1011 | P | A | -1.0572 | |
| 1012 | A | A | -0.6823 | |
| 1013 | A | A | -1.1299 | |
| 1014 | K | A | -2.8359 | |
| 1015 | K | A | -3.3226 | |
| 1016 | K | A | -2.8794 | |
| 1017 | A | A | -1.0533 | |
| 1018 | T | A | -0.1004 | |
| 1019 | M | A | 0.0545 | |
| 1020 | Q | A | -1.4305 | |
| 1021 | G | A | -2.0790 | |
| 1022 | D | A | -3.6018 | |
| 1023 | R | A | -3.8487 | |
| 1024 | E | A | -3.5400 | |
| 1025 | Q | A | -2.3450 | |
| 1026 | L | A | -0.6640 | |
| 1027 | K | A | -1.6079 | |
| 1028 | W | A | -0.5749 | |
| 1029 | K | A | -2.0018 | |
| 1030 | N | A | -2.0752 | |
| 1031 | S | A | -0.9299 | |
| 1032 | S | A | -0.3714 | |
| 1033 | Y | A | 0.3993 | |
| 1034 | G | A | -0.3172 | |
| 1035 | K | A | -1.2049 | |
| 1036 | V | A | 0.0958 | |
| 1037 | E | A | -1.0613 | |
| 1038 | G | A | 0.2345 | |
| 1039 | F | A | 1.7578 | |
| 1040 | W | A | 0.9140 | |
| 1041 | S | A | -0.6069 | |
| 1042 | K | A | -2.3410 | |
| 1043 | D | A | -3.2873 | |
| 1044 | Q | A | -2.6680 | |
| 1045 | S | A | -2.0635 | |
| 1046 | Q | A | -1.9462 | |
| 1047 | W | A | -0.7673 | |
| 1048 | K | A | -2.1108 | |
| 1049 | N | A | -2.2755 | |
| 1050 | A | A | -1.9387 | |
| 1051 | S | A | -2.2505 | |
| 1052 | E | A | -3.3838 | |
| 1053 | N | A | -3.8747 | |
| 1054 | D | A | -3.9967 | |
| 1055 | E | A | -3.8533 | |
| 1056 | R | A | -2.9069 | |
| 1057 | L | A | -0.5175 | |
| 1058 | S | A | -1.0954 | |
| 1059 | N | A | -1.4774 | |
| 1060 | P | A | -1.0236 | |
| 1061 | Q | A | -1.2185 | |
| 1062 | I | A | 0.4485 | |
| 1063 | E | A | -1.2292 | |
| 1064 | W | A | -0.3019 | |
| 1065 | Q | A | -1.6436 | |
| 1066 | N | A | -1.6599 | |
| 1067 | S | A | -0.7415 | |
| 1068 | T | A | -0.1651 | |
| 1069 | I | A | 0.6629 | |
| 1070 | D | A | -1.4017 | |
| 1071 | S | A | -1.8587 | |
| 1072 | E | A | -3.1162 | |
| 1073 | D | A | -3.5457 | |
| 1074 | G | A | -3.1979 | |
| 1075 | E | A | -2.6936 | |
| 1076 | Q | A | -1.8095 | |
| 1077 | F | A | -0.1610 | |
| 1078 | D | A | -1.5468 | |
| 1079 | N | A | -1.2723 | |
| 1080 | M | A | -0.2973 | |
| 1081 | T | A | -0.7762 | |
| 1082 | D | A | -1.4676 | |
| 1083 | G | A | -0.4854 | |
| 1084 | V | A | 0.8299 | |
| 1085 | A | A | -0.0923 | |
| 1086 | E | A | -1.4068 | |
| 1087 | P | A | -0.8768 | |
| 1088 | M | A | -0.0171 | |
| 1089 | H | A | -0.8041 | |
| 1090 | G | A | -0.5405 | |
| 1091 | S | A | 0.1341 | |
| 1092 | L | A | 1.2700 | |
| 1093 | A | A | 0.9708 | |
| 1094 | G | A | 0.4318 | |
| 1095 | V | A | 1.0473 | |
| 1096 | K | A | -0.2675 | |
| 1097 | L | A | 0.9109 | |
| 1098 | S | A | -0.0611 | |
| 1099 | S | A | -0.8332 | |
| 1100 | Q | A | -1.9156 | |
| 1101 | Q | A | -1.7953 | |
| 1102 | A | A | -0.7690 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5273 | 5.9591 | View | CSV | PDB |
| 4.5 | -0.6219 | 5.9376 | View | CSV | PDB |
| 5.0 | -0.7382 | 5.9376 | View | CSV | PDB |
| 5.5 | -0.8498 | 5.9376 | View | CSV | PDB |
| 6.0 | -0.9294 | 5.9376 | View | CSV | PDB |
| 6.5 | -0.9607 | 5.9376 | View | CSV | PDB |
| 7.0 | -0.9464 | 5.9376 | View | CSV | PDB |
| 7.5 | -0.9023 | 5.9376 | View | CSV | PDB |
| 8.0 | -0.8426 | 5.9376 | View | CSV | PDB |
| 8.5 | -0.7722 | 5.9376 | View | CSV | PDB |
| 9.0 | -0.6903 | 5.9376 | 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