| Chain sequence(s) |
A: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGCGDHCSTLKRLVKKPGQMSAWLRDCVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTT
B: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGCGDHCSTLKRLVKKPGQMSAWLRDCVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTT 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1648fcf5d326352/tmp/folded.pdb (00:18:48)
[INFO] Main: Simulation completed successfully. (00:29:40)
|
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 | -0.4275 | |
| 2 | S | A | -0.4819 | |
| 3 | S | A | -0.4801 | |
| 4 | T | A | -0.3295 | |
| 5 | S | A | -0.3995 | |
| 6 | P | A | -0.1430 | |
| 7 | V | A | 0.3745 | |
| 8 | Y | A | 0.0167 | |
| 9 | D | A | -1.0120 | |
| 10 | L | A | 0.0000 | |
| 11 | Q | A | -2.1993 | |
| 12 | R | A | -2.4366 | |
| 13 | Y | A | -1.5101 | |
| 14 | T | A | -1.5991 | |
| 15 | A | A | -1.7494 | |
| 16 | E | A | -2.5092 | |
| 17 | S | A | -1.8131 | |
| 18 | L | A | -1.6564 | |
| 19 | R | A | -2.6125 | |
| 20 | L | A | -1.5963 | |
| 21 | A | A | -0.9490 | |
| 22 | P | A | -0.6358 | |
| 23 | Y | A | -0.1722 | |
| 24 | P | A | -0.5397 | |
| 25 | A | A | -0.7916 | |
| 26 | D | A | -2.0450 | |
| 27 | L | A | 0.0000 | |
| 28 | K | A | -0.9055 | |
| 29 | V | A | -0.0672 | |
| 30 | P | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | A | A | 0.0351 | |
| 33 | F | A | 0.1128 | |
| 34 | P | A | -0.5027 | |
| 35 | Q | A | -1.8690 | |
| 36 | D | A | -2.9156 | |
| 37 | H | A | -2.5066 | |
| 38 | Q | A | -1.9238 | |
| 39 | P | A | -1.7771 | |
| 40 | R | A | -2.6721 | |
| 41 | G | A | -1.7116 | |
| 42 | R | A | -1.0897 | |
| 43 | I | A | 0.1351 | |
| 44 | L | A | 0.5814 | |
| 45 | L | A | 0.0000 | |
| 46 | S | A | 0.0000 | |
| 47 | H | A | -1.9523 | |
| 48 | D | A | -2.6646 | |
| 49 | E | A | -1.3410 | |
| 50 | L | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | H | A | -1.7797 | |
| 53 | T | A | 0.0000 | |
| 54 | D | A | -0.9199 | |
| 55 | Y | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | H | A | -0.5193 | |
| 59 | I | A | 0.0000 | |
| 60 | R | A | 0.0000 | |
| 61 | Q | A | -0.5319 | |
| 62 | Q | A | -0.0307 | |
| 63 | F | A | 0.0000 | |
| 64 | D | A | -0.6789 | |
| 65 | W | A | 0.3920 | |
| 66 | L | A | -0.5757 | |
| 67 | E | A | -2.2768 | |
| 68 | E | A | -2.8896 | |
| 69 | P | A | -2.0323 | |
| 70 | L | A | -0.9457 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | -2.1928 | |
| 73 | K | A | -1.7269 | |
| 74 | L | A | 0.0000 | |
| 75 | V | A | -0.7304 | |
| 76 | V | A | 0.0000 | |
| 77 | E | A | -0.6311 | |
| 78 | K | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | Y | A | 0.3521 | |
| 84 | N | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | P | A | 0.0554 | |
| 87 | N | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | T | A | 0.1919 | |
| 91 | L | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | D | A | 0.0000 | |
| 97 | E | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | H | A | -0.3079 | |
| 107 | L | A | 0.5411 | |
| 108 | H | A | 0.0216 | |
| 109 | G | A | -0.1671 | |
| 110 | L | A | 0.0000 | |
| 111 | P | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | N | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | H | A | -1.1550 | |
| 116 | D | A | 0.0000 | |
| 117 | P | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -0.5605 | |
| 121 | T | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | G | A | -0.2556 | |
| 124 | G | A | -0.4695 | |
| 125 | M | A | 0.0000 | |
| 126 | R | A | -0.9195 | |
| 127 | Q | A | -1.3883 | |
| 128 | L | A | -0.5813 | |
| 129 | L | A | 0.0000 | |
| 130 | F | A | -0.9783 | |
| 131 | N | A | -1.1728 | |
| 132 | K | A | -0.8253 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | -1.7004 | |
| 135 | N | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | D | A | -1.2240 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | -1.5341 | |
| 140 | C | A | -1.5363 | |
| 141 | I | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | D | A | -3.4449 | |
| 144 | H | A | -2.9219 | |
| 145 | Q | A | -2.5814 | |
| 146 | D | A | -3.0184 | |
| 147 | G | A | -2.2296 | |
| 148 | C | A | -1.1553 | |
| 149 | G | A | -1.7197 | |
| 150 | D | A | -2.4967 | |
| 151 | H | A | -1.8613 | |
| 152 | C | A | -1.4597 | |
| 153 | S | A | -1.1637 | |
| 154 | T | A | -0.9425 | |
| 155 | L | A | 0.0000 | |
| 156 | K | A | -1.4916 | |
| 157 | R | A | -1.2347 | |
| 158 | L | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | K | A | -2.3961 | |
| 161 | K | A | -2.6225 | |
| 162 | P | A | -2.1185 | |
| 163 | G | A | -1.8363 | |
| 164 | Q | A | -2.3442 | |
| 165 | M | A | 0.0000 | |
| 166 | S | A | -0.4763 | |
| 167 | A | A | -0.1739 | |
| 168 | W | A | 0.6900 | |
| 169 | L | A | -0.0254 | |
| 170 | R | A | -1.6711 | |
| 171 | D | A | -1.7090 | |
| 172 | C | A | -0.5012 | |
| 173 | V | A | 0.0000 | |
| 174 | C | A | -1.9510 | |
| 175 | D | A | -2.7499 | |
| 176 | L | A | -1.7075 | |
| 177 | Q | A | -1.9304 | |
| 178 | K | A | -2.9081 | |
| 179 | R | A | -2.5158 | |
| 180 | P | A | -1.6607 | |
| 181 | P | A | 0.0000 | |
| 182 | E | A | -1.4201 | |
| 183 | T | A | -0.8467 | |
| 184 | F | A | 0.0000 | |
| 185 | S | A | -0.6866 | |
| 186 | Q | A | 0.0000 | |
| 187 | P | A | -0.4407 | |
| 188 | M | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | R | A | -0.8704 | |
| 191 | A | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | R | A | -0.0880 | |
| 201 | V | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | V | A | 0.3407 | |
| 204 | S | A | -0.7824 | |
| 205 | L | A | 0.0000 | |
| 206 | R | A | -1.4073 | |
| 207 | R | A | -2.2502 | |
| 208 | R | A | -2.3526 | |
| 209 | A | A | -1.0609 | |
| 210 | L | A | -0.2168 | |
| 211 | Q | A | -1.3935 | |
| 212 | V | A | -0.4845 | |
| 213 | T | A | -0.1178 | |
| 214 | G | A | -0.1778 | |
| 215 | T | A | -0.2630 | |
| 216 | P | A | 0.0067 | |
| 217 | Q | A | 0.0000 | |
| 218 | F | A | -0.4063 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | -2.3533 | |
| 221 | Q | A | -1.8364 | |
| 222 | F | A | -1.1095 | |
| 223 | D | A | -1.7097 | |
| 224 | T | A | -1.5032 | |
| 225 | N | A | -1.7309 | |
| 226 | N | A | -2.1605 | |
| 227 | A | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | G | A | -0.9958 | |
| 230 | T | A | -0.9915 | |
| 231 | Y | A | 0.0000 | |
| 232 | R | A | -1.6437 | |
| 233 | C | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | A | A | -0.6483 | |
| 236 | V | A | 0.0000 | |
| 237 | S | A | -0.2565 | |
| 238 | D | A | -0.7282 | |
| 239 | L | A | -0.3084 | |
| 240 | I | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | G | A | -0.2989 | |
| 243 | A | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | Q | A | -1.4726 | |
| 246 | C | A | -0.4066 | |
| 247 | H | A | -1.4692 | |
| 248 | E | A | -2.4833 | |
| 249 | C | A | -2.1053 | |
| 250 | Q | A | -2.4531 | |
| 251 | N | A | -2.6325 | |
| 252 | E | A | -3.0536 | |
| 253 | M | A | -2.3518 | |
| 254 | C | A | 0.0000 | |
| 255 | E | A | -3.4540 | |
| 256 | L | A | -2.0699 | |
| 257 | R | A | -1.6789 | |
| 258 | I | A | -1.5062 | |
| 259 | Q | A | -1.6450 | |
| 260 | R | A | -1.4097 | |
| 261 | A | A | 0.0000 | |
| 262 | L | A | 0.0690 | |
| 263 | A | A | -0.4281 | |
| 264 | P | A | -0.6625 | |
| 265 | Y | A | -0.6725 | |
| 266 | R | A | -1.6119 | |
| 267 | F | A | -0.3554 | |
| 268 | M | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | C | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | F | A | -0.7943 | |
| 275 | D | A | -1.7386 | |
| 276 | E | A | -2.4097 | |
| 277 | Q | A | -1.9178 | |
| 278 | S | A | -0.7676 | |
| 279 | L | A | 0.5099 | |
| 280 | L | A | -0.2862 | |
| 281 | D | A | -0.8255 | |
| 282 | L | A | 0.3528 | |
| 283 | T | A | 0.4130 | |
| 284 | V | A | 1.4984 | |
| 285 | F | A | 0.7834 | |
| 286 | A | A | 0.5386 | |
| 287 | G | A | -0.0166 | |
| 288 | T | A | 0.0418 | |
| 289 | T | A | -0.5267 | |
| 1 | P | B | -0.4274 | |
| 2 | S | B | -0.4830 | |
| 3 | S | B | -0.4802 | |
| 4 | T | B | -0.3219 | |
| 5 | S | B | -0.3804 | |
| 6 | P | B | -0.1072 | |
| 7 | V | B | 0.4465 | |
| 8 | Y | B | 0.0523 | |
| 9 | D | B | -0.9787 | |
| 10 | L | B | 0.0000 | |
| 11 | Q | B | -2.1982 | |
| 12 | R | B | -2.4415 | |
| 13 | Y | B | -1.5268 | |
| 14 | T | B | -1.5961 | |
| 15 | A | B | -1.7461 | |
| 16 | E | B | -2.5227 | |
| 17 | S | B | -1.8471 | |
| 18 | L | B | -1.6791 | |
| 19 | R | B | -2.6557 | |
| 20 | L | B | 0.0000 | |
| 21 | A | B | -0.9757 | |
| 22 | P | B | -0.6270 | |
| 23 | Y | B | -0.1827 | |
| 24 | P | B | -0.5314 | |
| 25 | A | B | -0.7917 | |
| 26 | D | B | -2.0698 | |
| 27 | L | B | 0.0000 | |
| 28 | K | B | -0.9392 | |
| 29 | V | B | 0.0027 | |
| 30 | P | B | 0.0000 | |
| 31 | T | B | 0.0000 | |
| 32 | A | B | 0.0000 | |
| 33 | F | B | 0.0042 | |
| 34 | P | B | -0.7152 | |
| 35 | Q | B | -2.2064 | |
| 36 | D | B | -3.0785 | |
| 37 | H | B | -2.6294 | |
| 38 | Q | B | -2.0371 | |
| 39 | P | B | -1.8118 | |
| 40 | R | B | -2.7119 | |
| 41 | G | B | -1.7690 | |
| 42 | R | B | -1.2068 | |
| 43 | I | B | -0.1749 | |
| 44 | L | B | 0.4194 | |
| 45 | L | B | 0.0000 | |
| 46 | S | B | 0.0000 | |
| 47 | H | B | -1.9546 | |
| 48 | D | B | -2.6667 | |
| 49 | E | B | -1.3422 | |
| 50 | L | B | 0.0000 | |
| 51 | M | B | 0.0000 | |
| 52 | H | B | -1.7847 | |
| 53 | T | B | 0.0000 | |
| 54 | D | B | 0.0000 | |
| 55 | Y | B | 0.0000 | |
| 56 | L | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | H | B | -0.5498 | |
| 59 | I | B | 0.0000 | |
| 60 | R | B | 0.0000 | |
| 61 | Q | B | -0.6145 | |
| 62 | Q | B | -0.1589 | |
| 63 | F | B | 0.0000 | |
| 64 | D | B | -0.7660 | |
| 65 | W | B | 0.3395 | |
| 66 | L | B | -0.6866 | |
| 67 | E | B | -2.3509 | |
| 68 | E | B | -3.0502 | |
| 69 | P | B | -2.1916 | |
| 70 | L | B | -1.1254 | |
| 71 | L | B | 0.0000 | |
| 72 | R | B | -2.8728 | |
| 73 | K | B | -2.0610 | |
| 74 | L | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | V | B | 0.0000 | |
| 77 | E | B | -0.9975 | |
| 78 | K | B | 0.0000 | |
| 79 | I | B | 0.0000 | |
| 80 | F | B | 0.0000 | |
| 81 | A | B | 0.0000 | |
| 82 | V | B | 0.0000 | |
| 83 | Y | B | 0.3540 | |
| 84 | N | B | 0.0000 | |
| 85 | A | B | 0.0000 | |
| 86 | P | B | 0.1517 | |
| 87 | N | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | H | B | 0.0000 | |
| 90 | T | B | 0.1119 | |
| 91 | L | B | 0.0000 | |
| 92 | L | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | I | B | 0.0000 | |
| 95 | I | B | 0.0000 | |
| 96 | D | B | 0.0000 | |
| 97 | E | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | S | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | M | B | 0.0000 | |
| 103 | K | B | 0.0000 | |
| 104 | Y | B | 0.0000 | |
| 105 | H | B | 0.0000 | |
| 106 | H | B | -0.3252 | |
| 107 | L | B | 0.5335 | |
| 108 | H | B | -0.0002 | |
| 109 | G | B | -0.1897 | |
| 110 | L | B | 0.0000 | |
| 111 | P | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | N | B | 0.0000 | |
| 114 | P | B | 0.0000 | |
| 115 | H | B | -1.4860 | |
| 116 | D | B | 0.0000 | |
| 117 | P | B | 0.0000 | |
| 118 | Y | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | E | B | -0.6403 | |
| 121 | T | B | 0.0000 | |
| 122 | V | B | 0.0000 | |
| 123 | G | B | -0.2867 | |
| 124 | G | B | -0.4883 | |
| 125 | M | B | 0.0000 | |
| 126 | R | B | -0.8981 | |
| 127 | Q | B | -1.3830 | |
| 128 | L | B | -0.5344 | |
| 129 | L | B | 0.0000 | |
| 130 | F | B | -0.9155 | |
| 131 | N | B | -1.0447 | |
| 132 | K | B | -0.7620 | |
| 133 | L | B | 0.0000 | |
| 134 | N | B | -1.6803 | |
| 135 | N | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | D | B | -1.3439 | |
| 138 | L | B | 0.0000 | |
| 139 | G | B | -1.6118 | |
| 140 | C | B | -1.5914 | |
| 141 | I | B | 0.0000 | |
| 142 | L | B | 0.0000 | |
| 143 | D | B | -3.4338 | |
| 144 | H | B | -2.9236 | |
| 145 | Q | B | -2.5748 | |
| 146 | D | B | -2.9382 | |
| 147 | G | B | -2.3454 | |
| 148 | C | B | -1.2537 | |
| 149 | G | B | -1.7348 | |
| 150 | D | B | -2.3422 | |
| 151 | H | B | -1.8942 | |
| 152 | C | B | -1.5024 | |
| 153 | S | B | -1.2042 | |
| 154 | T | B | -0.9811 | |
| 155 | L | B | 0.0000 | |
| 156 | K | B | -1.5563 | |
| 157 | R | B | -1.3584 | |
| 158 | L | B | 0.0000 | |
| 159 | V | B | 0.0000 | |
| 160 | K | B | -2.4453 | |
| 161 | K | B | -2.7751 | |
| 162 | P | B | -2.0284 | |
| 163 | G | B | -1.8291 | |
| 164 | Q | B | -2.3455 | |
| 165 | M | B | -1.4562 | |
| 166 | S | B | -0.5209 | |
| 167 | A | B | -0.2753 | |
| 168 | W | B | 0.5476 | |
| 169 | L | B | -0.2000 | |
| 170 | R | B | -1.9569 | |
| 171 | D | B | -1.9139 | |
| 172 | C | B | -0.8548 | |
| 173 | V | B | 0.0000 | |
| 174 | C | B | -2.0647 | |
| 175 | D | B | -2.8637 | |
| 176 | L | B | -1.7898 | |
| 177 | Q | B | 0.0000 | |
| 178 | K | B | -2.9086 | |
| 179 | R | B | -2.6729 | |
| 180 | P | B | -1.8159 | |
| 181 | P | B | 0.0000 | |
| 182 | E | B | -1.8037 | |
| 183 | T | B | -1.0495 | |
| 184 | F | B | 0.0000 | |
| 185 | S | B | -0.7753 | |
| 186 | Q | B | 0.0000 | |
| 187 | P | B | -0.4889 | |
| 188 | M | B | 0.0000 | |
| 189 | H | B | 0.0000 | |
| 190 | R | B | -0.9654 | |
| 191 | A | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | Y | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | C | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | S | B | 0.0000 | |
| 200 | R | B | -0.2084 | |
| 201 | V | B | 0.0000 | |
| 202 | A | B | 0.0000 | |
| 203 | V | B | 0.5149 | |
| 204 | S | B | -0.6898 | |
| 205 | L | B | 0.0000 | |
| 206 | R | B | -1.3328 | |
| 207 | R | B | -2.1265 | |
| 208 | R | B | -2.1984 | |
| 209 | A | B | -1.0355 | |
| 210 | L | B | -0.1904 | |
| 211 | Q | B | -1.3799 | |
| 212 | V | B | -0.5195 | |
| 213 | T | B | -0.1244 | |
| 214 | G | B | -0.1740 | |
| 215 | T | B | -0.2483 | |
| 216 | P | B | 0.0318 | |
| 217 | Q | B | 0.0000 | |
| 218 | F | B | -0.4694 | |
| 219 | F | B | 0.0000 | |
| 220 | D | B | -2.3750 | |
| 221 | Q | B | -1.8594 | |
| 222 | F | B | -1.1241 | |
| 223 | D | B | -1.7497 | |
| 224 | T | B | -1.5446 | |
| 225 | N | B | -1.7464 | |
| 226 | N | B | -2.2142 | |
| 227 | A | B | 0.0000 | |
| 228 | M | B | 0.0000 | |
| 229 | G | B | -0.9888 | |
| 230 | T | B | -1.0574 | |
| 231 | Y | B | 0.0000 | |
| 232 | R | B | -1.6192 | |
| 233 | C | B | 0.0000 | |
| 234 | G | B | 0.0000 | |
| 235 | A | B | -0.6352 | |
| 236 | V | B | 0.0000 | |
| 237 | S | B | 0.0000 | |
| 238 | D | B | -0.7838 | |
| 239 | L | B | -0.3244 | |
| 240 | I | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | G | B | -0.3571 | |
| 243 | A | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | Q | B | -1.5049 | |
| 246 | C | B | -0.4266 | |
| 247 | H | B | -1.4808 | |
| 248 | E | B | -2.5245 | |
| 249 | C | B | -2.1952 | |
| 250 | Q | B | -2.5203 | |
| 251 | N | B | -2.7287 | |
| 252 | E | B | -3.1197 | |
| 253 | M | B | -2.3036 | |
| 254 | C | B | 0.0000 | |
| 255 | E | B | -3.5003 | |
| 256 | L | B | -2.0876 | |
| 257 | R | B | -1.7142 | |
| 258 | I | B | -1.3955 | |
| 259 | Q | B | -1.7407 | |
| 260 | R | B | -1.3463 | |
| 261 | A | B | 0.0000 | |
| 262 | L | B | -0.0602 | |
| 263 | A | B | -0.3367 | |
| 264 | P | B | -0.3975 | |
| 265 | Y | B | -0.1147 | |
| 266 | R | B | -0.4193 | |
| 267 | F | B | 0.4398 | |
| 268 | M | B | 0.0000 | |
| 269 | I | B | 0.4052 | |
| 270 | A | B | 0.0000 | |
| 271 | Y | B | 0.0000 | |
| 272 | C | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | F | B | -0.7822 | |
| 275 | D | B | -1.7301 | |
| 276 | E | B | -2.4009 | |
| 277 | Q | B | -1.9076 | |
| 278 | S | B | -0.7378 | |
| 279 | L | B | 0.5548 | |
| 280 | L | B | -0.1970 | |
| 281 | D | B | -0.7513 | |
| 282 | L | B | 0.3628 | |
| 283 | T | B | 0.4141 | |
| 284 | V | B | 1.5469 | |
| 285 | F | B | 0.8365 | |
| 286 | A | B | 0.5958 | |
| 287 | G | B | 0.0016 | |
| 288 | T | B | 0.0694 | |
| 289 | T | B | -0.2750 |
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 | -0.4589 | 3.6886 | View | CSV | PDB |
| 4.5 | -0.5291 | 3.5714 | View | CSV | PDB |
| 5.0 | -0.6125 | 3.4387 | View | CSV | PDB |
| 5.5 | -0.697 | 3.3002 | View | CSV | PDB |
| 6.0 | -0.7722 | 3.1598 | View | CSV | PDB |
| 6.5 | -0.8323 | 3.019 | View | CSV | PDB |
| 7.0 | -0.8779 | 2.8787 | View | CSV | PDB |
| 7.5 | -0.914 | 2.7405 | View | CSV | PDB |
| 8.0 | -0.9434 | 2.6086 | View | CSV | PDB |
| 8.5 | -0.9641 | 2.4933 | View | CSV | PDB |
| 9.0 | -0.9733 | 2.41 | 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