| Chain sequence(s) |
A: PALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDA
B: PTAGLVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLS input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[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 all 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d030eb0be156633/tmp/folded.pdb (00:10:20)
[INFO] Main: Simulation completed successfully. (00:14:54)
|
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 | P | A | 0.3742 | |
| 2 | A | A | 0.0000 | |
| 3 | L | A | 0.4889 | |
| 4 | V | A | 0.0000 | |
| 5 | R | A | -0.7377 | |
| 6 | A | A | 0.0000 | |
| 7 | G | A | -1.7212 | |
| 8 | G | A | -1.2352 | |
| 9 | V | A | 0.0000 | |
| 10 | M | A | -0.3725 | |
| 11 | I | A | 0.0000 | |
| 12 | A | A | 0.3077 | |
| 13 | F | A | 0.0000 | |
| 14 | V | A | 0.5829 | |
| 15 | E | A | -0.3126 | |
| 16 | G | A | -0.9529 | |
| 17 | R | A | -1.7062 | |
| 18 | T | A | -1.8658 | |
| 19 | K | A | -2.5523 | |
| 20 | N | A | -2.0233 | |
| 21 | K | A | -1.9676 | |
| 22 | L | A | -0.6393 | |
| 23 | F | A | 0.0000 | |
| 24 | P | A | -1.2703 | |
| 25 | E | A | -1.1415 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | D | A | -1.1872 | |
| 29 | L | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | D | A | -1.3455 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | -0.3556 | |
| 36 | A | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -1.6697 | |
| 41 | A | A | -1.2902 | |
| 42 | P | A | -1.1303 | |
| 43 | E | A | -2.2327 | |
| 44 | T | A | -0.6009 | |
| 45 | W | A | 0.4007 | |
| 46 | Q | A | -0.7031 | |
| 47 | S | A | -0.6239 | |
| 48 | L | A | -0.0406 | |
| 49 | V | A | 0.5383 | |
| 50 | A | A | -0.0595 | |
| 51 | E | A | -0.4787 | |
| 52 | V | A | -0.0893 | |
| 53 | T | A | -0.5035 | |
| 54 | K | A | -1.3022 | |
| 55 | E | A | -1.7017 | |
| 56 | Y | A | -0.0064 | |
| 57 | W | A | -0.5169 | |
| 58 | Q | A | -1.1299 | |
| 59 | A | A | -0.3665 | |
| 60 | H | A | -0.6974 | |
| 61 | T | A | -0.6896 | |
| 62 | V | A | -0.3384 | |
| 63 | L | A | 0.0000 | |
| 64 | E | A | -2.0987 | |
| 65 | S | A | -1.5842 | |
| 66 | A | A | -1.6677 | |
| 67 | N | A | -2.6522 | |
| 68 | N | A | -2.5299 | |
| 69 | S | A | -2.1933 | |
| 70 | N | A | -2.2210 | |
| 71 | H | A | -2.1831 | |
| 72 | R | A | -2.6599 | |
| 73 | V | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | L | A | 0.4463 | |
| 79 | P | A | 0.0000 | |
| 80 | T | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | I | A | 0.0000 | |
| 83 | T | A | -0.8127 | |
| 84 | R | A | -1.2944 | |
| 85 | G | A | -1.4946 | |
| 86 | N | A | -2.0087 | |
| 87 | K | A | -2.2598 | |
| 88 | V | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | S | A | -0.4614 | |
| 95 | Y | A | 0.0000 | |
| 96 | E | A | -1.6866 | |
| 97 | E | A | -1.7035 | |
| 98 | R | A | -2.1386 | |
| 99 | R | A | -1.6301 | |
| 100 | E | A | -0.9531 | |
| 101 | I | A | 0.6910 | |
| 102 | D | A | -1.1001 | |
| 103 | D | A | -1.7258 | |
| 104 | Y | A | -0.8522 | |
| 105 | I | A | -1.0789 | |
| 106 | W | A | -1.3025 | |
| 107 | K | A | -1.7669 | |
| 108 | A | A | -1.4517 | |
| 109 | E | A | -1.8101 | |
| 110 | A | A | -0.9820 | |
| 111 | W | A | -0.8998 | |
| 112 | N | A | -1.1376 | |
| 113 | I | A | 0.0000 | |
| 114 | K | A | -0.8998 | |
| 115 | V | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | E | A | -1.4935 | |
| 118 | G | A | 0.0000 | |
| 119 | E | A | -2.9685 | |
| 120 | A | A | 0.0000 | |
| 121 | T | A | -2.0400 | |
| 122 | Q | A | -2.0618 | |
| 123 | S | A | -1.2874 | |
| 124 | T | A | -1.1173 | |
| 125 | E | A | -1.6721 | |
| 126 | V | A | 0.1872 | |
| 127 | Q | A | -1.0662 | |
| 128 | P | A | -0.8875 | |
| 129 | T | A | -1.0821 | |
| 130 | Q | A | -1.1091 | |
| 131 | P | A | -1.3810 | |
| 132 | I | A | 0.0000 | |
| 133 | N | A | -2.0707 | |
| 134 | W | A | -1.4980 | |
| 135 | S | A | -1.6202 | |
| 136 | E | A | -2.0538 | |
| 137 | P | A | -1.2593 | |
| 138 | K | A | -1.3726 | |
| 139 | P | A | -1.2971 | |
| 140 | L | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | Q | A | -2.2686 | |
| 143 | T | A | -1.8202 | |
| 144 | D | A | -2.2680 | |
| 145 | S | A | -1.7413 | |
| 146 | P | A | -1.6782 | |
| 147 | N | A | -1.6247 | |
| 148 | N | A | -2.2790 | |
| 149 | K | A | -2.1051 | |
| 150 | G | A | -2.2155 | |
| 151 | D | A | -3.0728 | |
| 152 | L | A | -2.5269 | |
| 153 | K | A | -2.2851 | |
| 154 | E | A | -1.2623 | |
| 155 | F | A | 0.0000 | |
| 156 | L | A | -0.0573 | |
| 157 | G | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | S | A | 0.2477 | |
| 162 | G | A | 0.0000 | |
| 163 | I | A | 0.5097 | |
| 164 | V | A | 0.4401 | |
| 165 | M | A | 0.0000 | |
| 166 | G | A | -1.6032 | |
| 167 | N | A | -1.7411 | |
| 168 | G | A | -0.8833 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | T | A | -0.1419 | |
| 176 | A | A | 0.0000 | |
| 177 | K | A | -2.0391 | |
| 178 | D | A | -2.7901 | |
| 179 | E | A | -3.2682 | |
| 180 | S | A | -2.1679 | |
| 181 | N | A | -2.4379 | |
| 182 | K | A | -1.6445 | |
| 183 | V | A | 0.0000 | |
| 184 | F | A | 0.0433 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | T | A | 0.0000 | |
| 189 | Y | A | -0.7337 | |
| 190 | S | A | 0.0000 | |
| 191 | T | A | -1.4410 | |
| 192 | D | A | -1.6551 | |
| 193 | D | A | -2.0143 | |
| 194 | G | A | 0.0000 | |
| 195 | Q | A | -2.5046 | |
| 196 | K | A | -3.2006 | |
| 197 | W | A | 0.0000 | |
| 198 | E | A | -2.3611 | |
| 199 | I | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | G | A | -1.2176 | |
| 202 | G | A | 0.0000 | |
| 203 | V | A | 0.2959 | |
| 204 | S | A | 0.0000 | |
| 205 | S | A | 0.2327 | |
| 206 | V | A | 0.5788 | |
| 207 | A | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | R | A | -0.5932 | |
| 210 | S | A | -0.4048 | |
| 211 | P | A | 0.0000 | |
| 212 | R | A | -0.2490 | |
| 213 | V | A | 0.0000 | |
| 214 | T | A | 0.0000 | |
| 215 | E | A | -1.0446 | |
| 216 | W | A | -1.5841 | |
| 217 | E | A | -3.0387 | |
| 218 | E | A | -3.3745 | |
| 219 | G | A | -2.4450 | |
| 220 | T | A | -2.1658 | |
| 221 | L | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | Y | A | 0.0000 | |
| 227 | C | A | 0.0000 | |
| 228 | E | A | -2.1395 | |
| 229 | D | A | -2.8876 | |
| 230 | G | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | K | A | -0.7207 | |
| 233 | V | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | E | A | -0.7372 | |
| 236 | S | A | 0.0000 | |
| 237 | R | A | -2.8174 | |
| 238 | D | A | -1.8293 | |
| 239 | M | A | -1.3159 | |
| 240 | G | A | 0.0000 | |
| 241 | K | A | -2.1249 | |
| 242 | T | A | -1.2636 | |
| 243 | W | A | -0.8759 | |
| 244 | T | A | -0.5233 | |
| 245 | E | A | -0.6777 | |
| 246 | A | A | 0.1338 | |
| 247 | F | A | 1.3082 | |
| 248 | G | A | 0.1024 | |
| 249 | T | A | -0.1991 | |
| 250 | L | A | 0.0000 | |
| 251 | P | A | -0.5206 | |
| 252 | G | A | -0.4203 | |
| 253 | V | A | 0.0000 | |
| 254 | W | A | -0.0139 | |
| 255 | L | A | -0.8685 | |
| 256 | K | A | -2.2658 | |
| 257 | S | A | -1.9480 | |
| 258 | G | A | -1.6742 | |
| 259 | P | A | -1.8972 | |
| 260 | E | A | -2.4784 | |
| 261 | L | A | -1.6117 | |
| 262 | P | A | -1.7077 | |
| 263 | E | A | -2.1080 | |
| 264 | V | A | -0.7850 | |
| 265 | S | A | -0.3949 | |
| 266 | L | A | -0.4956 | |
| 267 | R | A | -0.2142 | |
| 268 | V | A | 0.0000 | |
| 269 | D | A | -0.2012 | |
| 270 | A | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | I | A | 0.5289 | |
| 273 | T | A | 0.1458 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | -1.6019 | |
| 276 | I | A | -1.6143 | |
| 277 | E | A | -2.6771 | |
| 278 | G | A | -2.1705 | |
| 279 | R | A | -2.6799 | |
| 280 | K | A | -2.0601 | |
| 281 | V | A | 0.0000 | |
| 282 | M | A | 0.0000 | |
| 283 | L | A | 0.6984 | |
| 284 | Y | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | Q | A | 0.0000 | |
| 287 | K | A | -0.3643 | |
| 288 | V | A | -0.4432 | |
| 289 | R | A | -0.7584 | |
| 290 | H | A | -0.0086 | |
| 291 | F | A | 1.3589 | |
| 292 | L | A | 0.9294 | |
| 293 | E | A | -0.7852 | |
| 294 | V | A | -0.3967 | |
| 295 | D | A | -1.4272 | |
| 296 | E | A | -1.0974 | |
| 297 | P | A | -0.7424 | |
| 298 | N | A | -0.2021 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | H | A | 0.0000 | |
| 302 | L | A | 1.2866 | |
| 303 | W | A | 1.0099 | |
| 304 | V | A | 0.6549 | |
| 305 | T | A | 0.0000 | |
| 306 | D | A | -1.5189 | |
| 307 | N | A | -1.6927 | |
| 308 | N | A | -2.4570 | |
| 309 | R | A | -2.2977 | |
| 310 | T | A | -0.6075 | |
| 311 | F | A | 1.1496 | |
| 312 | H | A | 0.8358 | |
| 313 | L | A | 1.9663 | |
| 314 | G | A | 1.1138 | |
| 315 | P | A | 1.1932 | |
| 316 | F | A | 2.3152 | |
| 317 | S | A | 1.1338 | |
| 318 | V | A | 1.1172 | |
| 319 | D | A | -0.3450 | |
| 320 | C | A | -0.5787 | |
| 321 | A | A | -1.4501 | |
| 322 | E | A | -2.7191 | |
| 323 | N | A | -2.2048 | |
| 324 | K | A | -1.2187 | |
| 325 | T | A | -0.0387 | |
| 326 | F | A | 0.2415 | |
| 327 | A | A | 0.1821 | |
| 328 | N | A | 0.0444 | |
| 329 | T | A | 0.1827 | |
| 330 | L | A | 0.6823 | |
| 331 | L | A | 0.9221 | |
| 332 | Y | A | 0.1721 | |
| 333 | S | A | -1.1479 | |
| 334 | D | A | -2.7062 | |
| 335 | D | A | -2.8981 | |
| 336 | A | A | -1.6406 | |
| 1 | P | B | -0.4890 | |
| 2 | T | B | -0.0786 | |
| 3 | A | B | -0.4489 | |
| 4 | G | B | 0.0000 | |
| 5 | L | B | 0.1984 | |
| 6 | V | B | 0.0000 | |
| 7 | G | B | 0.0000 | |
| 8 | F | B | 0.5179 | |
| 9 | L | B | 0.0000 | |
| 10 | S | B | -1.0002 | |
| 11 | N | B | -2.0532 | |
| 12 | T | B | -0.9247 | |
| 13 | T | B | -0.9682 | |
| 14 | S | B | -0.7077 | |
| 15 | S | B | -0.9183 | |
| 16 | G | B | -1.5771 | |
| 17 | D | B | -2.0637 | |
| 18 | T | B | -0.9961 | |
| 19 | W | B | 0.0000 | |
| 20 | I | B | -0.5265 | |
| 21 | D | B | 0.0000 | |
| 22 | G | B | -0.2576 | |
| 23 | Y | B | -0.2245 | |
| 24 | R | B | -2.0055 | |
| 25 | C | B | -1.0536 | |
| 26 | M | B | -0.4358 | |
| 27 | N | B | -0.6755 | |
| 28 | A | B | 0.0000 | |
| 29 | T | B | -0.7682 | |
| 30 | V | B | 0.0000 | |
| 31 | T | B | -1.5533 | |
| 32 | K | B | -2.2352 | |
| 33 | A | B | -1.4539 | |
| 34 | A | B | -0.9822 | |
| 35 | K | B | -1.6863 | |
| 36 | V | B | -1.2963 | |
| 37 | E | B | -2.4776 | |
| 38 | N | B | -2.0963 | |
| 39 | G | B | 0.0000 | |
| 40 | F | B | 0.0000 | |
| 41 | K | B | -1.0382 | |
| 42 | F | B | 0.0000 | |
| 43 | T | B | -1.0304 | |
| 44 | G | B | -1.4344 | |
| 45 | P | B | -1.9988 | |
| 46 | G | B | -1.6570 | |
| 47 | S | B | 0.0000 | |
| 48 | R | B | -1.0387 | |
| 49 | A | B | 0.0000 | |
| 50 | T | B | 0.0000 | |
| 51 | W | B | 0.0000 | |
| 52 | P | B | 0.0000 | |
| 53 | V | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | S | B | -0.5142 | |
| 56 | R | B | -0.6194 | |
| 57 | W | B | 0.0000 | |
| 58 | D | B | -0.4287 | |
| 59 | I | B | -0.0693 | |
| 60 | K | B | -0.5629 | |
| 61 | Q | B | -0.3527 | |
| 62 | Y | B | 0.0000 | |
| 63 | G | B | -0.2530 | |
| 64 | F | B | -0.3214 | |
| 65 | V | B | 0.0000 | |
| 66 | D | B | 0.0000 | |
| 67 | Y | B | -0.7865 | |
| 68 | N | B | -1.3939 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | V | B | 0.0000 | |
| 73 | A | B | 0.0000 | |
| 74 | M | B | -0.6773 | |
| 75 | A | B | 0.0000 | |
| 76 | T | B | -2.0275 | |
| 77 | I | B | 0.0000 | |
| 78 | H | B | -1.7121 | |
| 79 | Q | B | -1.0908 | |
| 80 | V | B | -0.0164 | |
| 81 | P | B | 0.0000 | |
| 82 | S | B | -1.3710 | |
| 83 | E | B | -2.1623 | |
| 84 | S | B | -0.9833 | |
| 85 | T | B | 0.0000 | |
| 86 | P | B | -0.4942 | |
| 87 | L | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | S | B | 0.0000 | |
| 92 | L | B | 0.0000 | |
| 93 | R | B | -1.2378 | |
| 94 | G | B | -1.4796 | |
| 95 | N | B | -2.0869 | |
| 96 | K | B | -2.8255 | |
| 97 | R | B | -2.7832 | |
| 98 | T | B | -1.8850 | |
| 99 | K | B | -1.6894 | |
| 100 | L | B | 0.0000 | |
| 101 | I | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | S | B | 0.0000 | |
| 105 | Y | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | A | B | -0.7647 | |
| 108 | G | B | -0.5764 | |
| 109 | G | B | -0.9535 | |
| 110 | K | B | -0.8682 | |
| 111 | W | B | 0.0000 | |
| 112 | E | B | 0.0000 | |
| 113 | T | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | Y | B | -0.5958 | |
| 116 | D | B | -1.1107 | |
| 117 | G | B | -1.7630 | |
| 118 | T | B | -1.1888 | |
| 119 | K | B | -1.0706 | |
| 120 | T | B | 0.0581 | |
| 121 | V | B | 0.9746 | |
| 122 | Q | B | -0.2178 | |
| 123 | G | B | -0.5656 | |
| 124 | G | B | -0.3497 | |
| 125 | T | B | -1.1183 | |
| 126 | W | B | 0.0000 | |
| 127 | E | B | -2.9163 | |
| 128 | P | B | -2.2022 | |
| 129 | G | B | -2.6617 | |
| 130 | R | B | -3.6026 | |
| 131 | E | B | -3.4051 | |
| 132 | Y | B | 0.0000 | |
| 133 | Q | B | -1.3015 | |
| 134 | V | B | 0.0000 | |
| 135 | A | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | M | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | Q | B | -1.7393 | |
| 140 | D | B | -2.4479 | |
| 141 | G | B | 0.0000 | |
| 142 | N | B | -1.4155 | |
| 143 | K | B | -1.3092 | |
| 144 | G | B | 0.0000 | |
| 145 | F | B | -0.1122 | |
| 146 | V | B | 0.0000 | |
| 147 | Y | B | 0.3573 | |
| 148 | V | B | 0.0000 | |
| 149 | D | B | -1.6786 | |
| 150 | G | B | -0.4093 | |
| 151 | V | B | 1.1574 | |
| 152 | L | B | 0.6566 | |
| 153 | V | B | 0.0000 | |
| 154 | G | B | -0.5792 | |
| 155 | N | B | -1.2708 | |
| 156 | P | B | -0.5795 | |
| 157 | A | B | -0.2022 | |
| 158 | M | B | 0.4045 | |
| 159 | L | B | 0.0000 | |
| 160 | P | B | -0.9433 | |
| 161 | T | B | -1.5376 | |
| 162 | P | B | -1.7828 | |
| 163 | E | B | -3.0644 | |
| 164 | E | B | -2.5979 | |
| 165 | R | B | 0.0000 | |
| 166 | W | B | -1.2393 | |
| 167 | T | B | -0.8886 | |
| 168 | E | B | -1.0010 | |
| 169 | F | B | 0.0000 | |
| 170 | S | B | 0.0000 | |
| 171 | H | B | 0.0000 | |
| 172 | F | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | F | B | 0.0000 | |
| 175 | G | B | 0.0000 | |
| 176 | G | B | -1.1521 | |
| 177 | D | B | 0.0000 | |
| 178 | E | B | -2.7008 | |
| 179 | G | B | -2.6464 | |
| 180 | D | B | -3.0283 | |
| 181 | S | B | -2.0268 | |
| 182 | G | B | -1.3529 | |
| 183 | S | B | 0.0000 | |
| 184 | D | B | 0.0000 | |
| 185 | A | B | 0.0000 | |
| 186 | T | B | -0.8140 | |
| 187 | L | B | 0.0000 | |
| 188 | T | B | -0.9799 | |
| 189 | D | B | -0.6475 | |
| 190 | V | B | 0.0000 | |
| 191 | F | B | 0.7779 | |
| 192 | L | B | 0.0000 | |
| 193 | Y | B | -0.0177 | |
| 194 | N | B | -0.9304 | |
| 195 | R | B | -1.8018 | |
| 196 | P | B | -0.8608 | |
| 197 | L | B | -0.0356 | |
| 198 | S | B | -0.1931 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3839 | 5.0684 | View | CSV | PDB |
| 4.5 | -0.4531 | 5.0684 | View | CSV | PDB |
| 5.0 | -0.5406 | 5.0684 | View | CSV | PDB |
| 5.5 | -0.6314 | 5.0684 | View | CSV | PDB |
| 6.0 | -0.7098 | 5.0684 | View | CSV | PDB |
| 6.5 | -0.7631 | 5.0684 | View | CSV | PDB |
| 7.0 | -0.7871 | 5.0684 | View | CSV | PDB |
| 7.5 | -0.7892 | 5.0684 | View | CSV | PDB |
| 8.0 | -0.7786 | 5.0684 | View | CSV | PDB |
| 8.5 | -0.7595 | 5.0684 | View | CSV | PDB |
| 9.0 | -0.7323 | 5.0684 | 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