| Chain sequence(s) |
A: MEMSNRRDLVEIFGYSPVDLTPEVRSLWTLGACPFLNKECVKINHDQTIIYGTCSVTSPYGDVIICPNRLYANNYETLLKVSHDAFGSDVPFLTYGQFIEQRANYKDCIIALGKNSGKEVQVGRALSMDWVLVRMTDGQIKEYVGIEIQSIDITGNYRDAWHAYKNIKPTDERNELPTSQHGLNWANVHKRLIPQLIRKGVVYSRSNYVKKGLYFILPDIVYKKFEDVIGSDIPLLDFQNNKTITVYTYGLGTNVASGQQRSLVQMRKIIFDLDEFSKRFTTGPNLPSGEDLDAVIKKALGVL
B: MEMSNRRDLVEIFGYSPVDLTPEVRSLWTLGACPFLNKECVKINHDQTIIYGTCSVTSPYGDVIICPNRLYANNYETLLKVSHDAFGSDVPFLTYGQFIEQRANYKDCIIALGKNSGKEVQVGRALSMDWVLVRMTDGQIKEYVGIEIQSIDITGNYRDAWHAYKNIKPTDERNELPTSQHGLNWANVHKRLIPQLIRKGVVYSRSNYVKKGLYFILPDIVYKKFEDVIGSDIPLLDFQNNKTITVYTYGLGTNVASGQQRSLVQMRKIIFDLDEFSKRFTTGPNLPSGEDLDAVIKKALGVL 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e7fb3f089f92c7b/tmp/folded.pdb (00:06:01)
[INFO] Main: Simulation completed successfully. (00:14:49)
|
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 | 0.3919 | |
| 2 | E | A | -1.1196 | |
| 3 | M | A | -0.0959 | |
| 4 | S | A | -1.1618 | |
| 5 | N | A | -2.0008 | |
| 6 | R | A | -1.9205 | |
| 7 | R | A | -2.3101 | |
| 8 | D | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | E | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | Y | A | -0.0548 | |
| 16 | S | A | -0.0276 | |
| 17 | P | A | 0.0000 | |
| 18 | V | A | 0.0306 | |
| 19 | D | A | 0.0000 | |
| 20 | L | A | 0.1859 | |
| 21 | T | A | -0.5312 | |
| 22 | P | A | -1.0374 | |
| 23 | E | A | -1.9058 | |
| 24 | V | A | 0.0000 | |
| 25 | R | A | -0.5109 | |
| 26 | S | A | -0.2741 | |
| 27 | L | A | -0.0723 | |
| 28 | W | A | 0.1525 | |
| 29 | T | A | 0.5945 | |
| 30 | L | A | 1.1504 | |
| 31 | G | A | 0.0000 | |
| 32 | A | A | -0.4243 | |
| 33 | C | A | 0.0000 | |
| 34 | P | A | -1.1200 | |
| 35 | F | A | 0.0000 | |
| 36 | L | A | -1.4656 | |
| 37 | N | A | -2.1120 | |
| 38 | K | A | -1.9785 | |
| 39 | E | A | -1.6816 | |
| 40 | C | A | 0.0000 | |
| 41 | V | A | 1.2676 | |
| 42 | K | A | 0.6275 | |
| 43 | I | A | 0.6441 | |
| 44 | N | A | -0.8886 | |
| 45 | H | A | -2.0531 | |
| 46 | D | A | -2.6621 | |
| 47 | Q | A | -1.7848 | |
| 48 | T | A | -0.9135 | |
| 49 | I | A | -0.0180 | |
| 50 | I | A | 0.9399 | |
| 51 | Y | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | 0.0000 | |
| 54 | C | A | 0.0000 | |
| 55 | S | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | T | A | -0.6373 | |
| 58 | S | A | 0.0000 | |
| 59 | P | A | -0.0609 | |
| 60 | Y | A | 1.0286 | |
| 61 | G | A | 0.4624 | |
| 62 | D | A | -0.2534 | |
| 63 | V | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | P | A | -0.3237 | |
| 68 | N | A | 0.0000 | |
| 69 | R | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | Y | A | 0.0000 | |
| 72 | A | A | -1.0989 | |
| 73 | N | A | -2.0236 | |
| 74 | N | A | -1.9710 | |
| 75 | Y | A | -0.9286 | |
| 76 | E | A | -1.1028 | |
| 77 | T | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | L | A | -0.1431 | |
| 80 | K | A | -0.7096 | |
| 81 | V | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | H | A | -1.1193 | |
| 84 | D | A | -0.8343 | |
| 85 | A | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | G | A | -1.2325 | |
| 88 | S | A | -1.3978 | |
| 89 | D | A | -2.0396 | |
| 90 | V | A | 0.0000 | |
| 91 | P | A | -0.6199 | |
| 92 | F | A | 0.0149 | |
| 93 | L | A | 0.0000 | |
| 94 | T | A | -0.3447 | |
| 95 | Y | A | -0.9853 | |
| 96 | G | A | -1.3946 | |
| 97 | Q | A | -1.6210 | |
| 98 | F | A | 0.0000 | |
| 99 | I | A | -1.1601 | |
| 100 | E | A | -2.6110 | |
| 101 | Q | A | -2.4998 | |
| 102 | R | A | -3.0835 | |
| 103 | A | A | -2.2371 | |
| 104 | N | A | -2.4569 | |
| 105 | Y | A | -2.2054 | |
| 106 | K | A | -3.1497 | |
| 107 | D | A | -2.5256 | |
| 108 | C | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | K | A | -2.1530 | |
| 115 | N | A | -2.2674 | |
| 116 | S | A | 0.0000 | |
| 117 | G | A | -1.8018 | |
| 118 | K | A | -2.7933 | |
| 119 | E | A | -2.1081 | |
| 120 | V | A | 0.0000 | |
| 121 | Q | A | -1.9379 | |
| 122 | V | A | 0.0000 | |
| 123 | G | A | -1.8659 | |
| 124 | R | A | -2.2545 | |
| 125 | A | A | -1.2140 | |
| 126 | L | A | 0.0000 | |
| 127 | S | A | -1.2766 | |
| 128 | M | A | 0.0000 | |
| 129 | D | A | -0.9166 | |
| 130 | W | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | R | A | -1.1808 | |
| 135 | M | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | D | A | -3.2377 | |
| 138 | G | A | -2.6237 | |
| 139 | Q | A | -2.5631 | |
| 140 | I | A | 0.0000 | |
| 141 | K | A | -2.8364 | |
| 142 | E | A | -1.8713 | |
| 143 | Y | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | Q | A | -0.3786 | |
| 150 | S | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | D | A | -1.5599 | |
| 153 | I | A | -0.7069 | |
| 154 | T | A | -0.8960 | |
| 155 | G | A | -1.3286 | |
| 156 | N | A | -1.9241 | |
| 157 | Y | A | -1.7757 | |
| 158 | R | A | -2.0165 | |
| 159 | D | A | -1.8250 | |
| 160 | A | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | H | A | -1.6233 | |
| 163 | A | A | -1.8567 | |
| 164 | Y | A | 0.0000 | |
| 165 | K | A | -2.1308 | |
| 166 | N | A | -2.3926 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -2.6326 | |
| 169 | P | A | -1.4322 | |
| 170 | T | A | -1.7273 | |
| 171 | D | A | -3.1818 | |
| 172 | E | A | -3.6983 | |
| 173 | R | A | -2.7070 | |
| 174 | N | A | -3.1570 | |
| 175 | E | A | -3.3187 | |
| 176 | L | A | -2.0810 | |
| 177 | P | A | -1.4224 | |
| 178 | T | A | -1.5564 | |
| 179 | S | A | 0.0000 | |
| 180 | Q | A | -2.1838 | |
| 181 | H | A | 0.0000 | |
| 182 | G | A | -0.9395 | |
| 183 | L | A | -0.4227 | |
| 184 | N | A | -0.8971 | |
| 185 | W | A | -0.7050 | |
| 186 | A | A | -1.1929 | |
| 187 | N | A | -1.8317 | |
| 188 | V | A | 0.0000 | |
| 189 | H | A | -2.2548 | |
| 190 | K | A | -2.8598 | |
| 191 | R | A | -2.9314 | |
| 192 | L | A | -1.6380 | |
| 193 | I | A | 0.0000 | |
| 194 | P | A | -1.3675 | |
| 195 | Q | A | -1.4888 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | R | A | -0.9221 | |
| 199 | K | A | -0.6040 | |
| 200 | G | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | S | A | -1.7078 | |
| 205 | R | A | -2.2631 | |
| 206 | S | A | 0.0000 | |
| 207 | N | A | -2.3056 | |
| 208 | Y | A | -1.7473 | |
| 209 | V | A | 0.0000 | |
| 210 | K | A | -2.4117 | |
| 211 | K | A | -1.4501 | |
| 212 | G | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | D | A | -0.3439 | |
| 220 | I | A | -0.3519 | |
| 221 | V | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | K | A | -2.2959 | |
| 224 | K | A | -2.0450 | |
| 225 | F | A | 0.0000 | |
| 226 | E | A | -2.2669 | |
| 227 | D | A | -2.6285 | |
| 228 | V | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | G | A | -1.9104 | |
| 231 | S | A | -1.9029 | |
| 232 | D | A | -1.7705 | |
| 233 | I | A | 0.0000 | |
| 234 | P | A | 0.1041 | |
| 235 | L | A | 1.2362 | |
| 236 | L | A | 0.7240 | |
| 237 | D | A | -0.4447 | |
| 238 | F | A | 0.8488 | |
| 239 | Q | A | -0.5585 | |
| 240 | N | A | -1.2777 | |
| 241 | N | A | -2.1043 | |
| 242 | K | A | -2.3054 | |
| 243 | T | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | G | A | 0.1647 | |
| 251 | L | A | -0.0983 | |
| 252 | G | A | -0.2166 | |
| 253 | T | A | -0.4786 | |
| 254 | N | A | -1.1615 | |
| 255 | V | A | -0.2443 | |
| 256 | A | A | -0.3304 | |
| 257 | S | A | -0.3390 | |
| 258 | G | A | -1.0213 | |
| 259 | Q | A | -1.4639 | |
| 260 | Q | A | -1.2524 | |
| 261 | R | A | -0.7088 | |
| 262 | S | A | -0.5373 | |
| 263 | L | A | 0.1058 | |
| 264 | V | A | 0.6485 | |
| 265 | Q | A | -0.0736 | |
| 266 | M | A | 0.2781 | |
| 267 | R | A | -0.6009 | |
| 268 | K | A | -1.0197 | |
| 269 | I | A | 0.0483 | |
| 270 | I | A | 0.4283 | |
| 271 | F | A | 0.0000 | |
| 272 | D | A | -1.0298 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -2.6544 | |
| 275 | E | A | -1.8790 | |
| 276 | F | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | K | A | -1.5232 | |
| 279 | R | A | -0.9387 | |
| 280 | F | A | -0.6360 | |
| 281 | T | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | G | A | -0.7863 | |
| 284 | P | A | -1.3961 | |
| 285 | N | A | -1.3537 | |
| 286 | L | A | -0.6351 | |
| 287 | P | A | -1.4164 | |
| 288 | S | A | -1.6165 | |
| 289 | G | A | 0.0000 | |
| 290 | E | A | -2.8626 | |
| 291 | D | A | -2.4311 | |
| 292 | L | A | 0.0000 | |
| 293 | D | A | 0.0000 | |
| 294 | A | A | -1.0647 | |
| 295 | V | A | -1.1485 | |
| 296 | I | A | 0.0000 | |
| 297 | K | A | -0.9857 | |
| 298 | K | A | -1.5144 | |
| 299 | A | A | -1.2364 | |
| 300 | L | A | 0.0000 | |
| 301 | G | A | -0.8085 | |
| 302 | V | A | -0.1923 | |
| 303 | L | A | 0.9290 | |
| 1 | M | B | 0.4317 | |
| 2 | E | B | -1.0462 | |
| 3 | M | B | 0.0500 | |
| 4 | S | B | -1.1113 | |
| 5 | N | B | -1.9873 | |
| 6 | R | B | -1.9419 | |
| 7 | R | B | -2.3616 | |
| 8 | D | B | 0.0000 | |
| 9 | L | B | 0.0000 | |
| 10 | V | B | 0.0000 | |
| 11 | E | B | 0.0000 | |
| 12 | I | B | 0.0000 | |
| 13 | F | B | 0.0000 | |
| 14 | G | B | 0.0000 | |
| 15 | Y | B | -0.0583 | |
| 16 | S | B | -0.0384 | |
| 17 | P | B | 0.0000 | |
| 18 | V | B | -0.0703 | |
| 19 | D | B | 0.0000 | |
| 20 | L | B | 0.0037 | |
| 21 | T | B | -0.6277 | |
| 22 | P | B | -1.0999 | |
| 23 | E | B | -1.9477 | |
| 24 | V | B | 0.0000 | |
| 25 | R | B | -0.6124 | |
| 26 | S | B | -0.3293 | |
| 27 | L | B | -0.1110 | |
| 28 | W | B | 0.1355 | |
| 29 | T | B | 0.5821 | |
| 30 | L | B | 1.1234 | |
| 31 | G | B | 0.0000 | |
| 32 | A | B | -0.4572 | |
| 33 | C | B | 0.0000 | |
| 34 | P | B | -1.1570 | |
| 35 | F | B | 0.0000 | |
| 36 | L | B | -1.6265 | |
| 37 | N | B | -2.1508 | |
| 38 | K | B | -2.0813 | |
| 39 | E | B | -1.7262 | |
| 40 | C | B | 0.0000 | |
| 41 | V | B | 1.2040 | |
| 42 | K | B | 0.5938 | |
| 43 | I | B | 0.5074 | |
| 44 | N | B | -0.9644 | |
| 45 | H | B | -2.0863 | |
| 46 | D | B | -2.6888 | |
| 47 | Q | B | -1.8308 | |
| 48 | T | B | -0.9480 | |
| 49 | I | B | -0.0612 | |
| 50 | I | B | 0.8790 | |
| 51 | Y | B | 0.0000 | |
| 52 | G | B | 0.0000 | |
| 53 | T | B | 0.0000 | |
| 54 | C | B | 0.0000 | |
| 55 | S | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | T | B | -0.8091 | |
| 58 | S | B | 0.0000 | |
| 59 | P | B | -0.2212 | |
| 60 | Y | B | 0.7220 | |
| 61 | G | B | 0.1643 | |
| 62 | D | B | -0.7428 | |
| 63 | V | B | 0.0000 | |
| 64 | I | B | 0.0000 | |
| 65 | I | B | 0.0000 | |
| 66 | C | B | 0.0000 | |
| 67 | P | B | -0.4181 | |
| 68 | N | B | -0.0091 | |
| 69 | R | B | 0.0000 | |
| 70 | L | B | 0.0000 | |
| 71 | Y | B | 0.0000 | |
| 72 | A | B | -1.1170 | |
| 73 | N | B | -2.0346 | |
| 74 | N | B | -1.9814 | |
| 75 | Y | B | -0.9742 | |
| 76 | E | B | -1.1390 | |
| 77 | T | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | L | B | -0.1631 | |
| 80 | K | B | -0.7118 | |
| 81 | V | B | 0.0000 | |
| 82 | S | B | 0.0000 | |
| 83 | H | B | -1.1369 | |
| 84 | D | B | -0.8582 | |
| 85 | A | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | G | B | -1.2400 | |
| 88 | S | B | -1.4033 | |
| 89 | D | B | -2.0482 | |
| 90 | V | B | 0.0000 | |
| 91 | P | B | -0.6295 | |
| 92 | F | B | 0.0203 | |
| 93 | L | B | 0.0000 | |
| 94 | T | B | -0.3463 | |
| 95 | Y | B | -0.9908 | |
| 96 | G | B | -1.3979 | |
| 97 | Q | B | -1.6088 | |
| 98 | F | B | 0.0000 | |
| 99 | I | B | -1.1824 | |
| 100 | E | B | -2.6035 | |
| 101 | Q | B | -2.4617 | |
| 102 | R | B | -3.0758 | |
| 103 | A | B | -2.2222 | |
| 104 | N | B | -2.4483 | |
| 105 | Y | B | -2.2191 | |
| 106 | K | B | -3.1882 | |
| 107 | D | B | -2.5487 | |
| 108 | C | B | 0.0000 | |
| 109 | I | B | 0.0000 | |
| 110 | I | B | 0.0000 | |
| 111 | A | B | 0.0000 | |
| 112 | L | B | 0.0000 | |
| 113 | G | B | 0.0000 | |
| 114 | K | B | -3.1500 | |
| 115 | N | B | -2.7488 | |
| 116 | S | B | 0.0000 | |
| 117 | G | B | -2.0148 | |
| 118 | K | B | -3.1234 | |
| 119 | E | B | -2.4068 | |
| 120 | V | B | 0.0000 | |
| 121 | Q | B | -2.1075 | |
| 122 | V | B | 0.0000 | |
| 123 | G | B | -1.9264 | |
| 124 | R | B | -2.2895 | |
| 125 | A | B | -1.2220 | |
| 126 | L | B | 0.0000 | |
| 127 | S | B | -1.3240 | |
| 128 | M | B | 0.0000 | |
| 129 | D | B | -1.2312 | |
| 130 | W | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | R | B | -1.0632 | |
| 135 | M | B | 0.0000 | |
| 136 | T | B | -2.5716 | |
| 137 | D | B | -3.2144 | |
| 138 | G | B | -2.5905 | |
| 139 | Q | B | -2.4763 | |
| 140 | I | B | 0.0000 | |
| 141 | K | B | -2.4743 | |
| 142 | E | B | -1.6478 | |
| 143 | Y | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | I | B | 0.0000 | |
| 147 | E | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | Q | B | -0.4021 | |
| 150 | S | B | 0.0000 | |
| 151 | I | B | 0.0000 | |
| 152 | D | B | -1.6106 | |
| 153 | I | B | -0.7099 | |
| 154 | T | B | -0.8738 | |
| 155 | G | B | -1.3083 | |
| 156 | N | B | -1.9014 | |
| 157 | Y | B | -1.7650 | |
| 158 | R | B | -2.0239 | |
| 159 | D | B | -1.8012 | |
| 160 | A | B | 0.0000 | |
| 161 | W | B | 0.0000 | |
| 162 | H | B | -1.6350 | |
| 163 | A | B | -1.8020 | |
| 164 | Y | B | 0.0000 | |
| 165 | K | B | -2.1437 | |
| 166 | N | B | -2.4399 | |
| 167 | I | B | 0.0000 | |
| 168 | K | B | -2.6744 | |
| 169 | P | B | -1.4723 | |
| 170 | T | B | -1.7310 | |
| 171 | D | B | -3.2053 | |
| 172 | E | B | -3.7153 | |
| 173 | R | B | -2.7385 | |
| 174 | N | B | -3.1720 | |
| 175 | E | B | -3.3252 | |
| 176 | L | B | -2.0870 | |
| 177 | P | B | -1.4211 | |
| 178 | T | B | -1.5652 | |
| 179 | S | B | 0.0000 | |
| 180 | Q | B | -2.1612 | |
| 181 | H | B | 0.0000 | |
| 182 | G | B | -0.9076 | |
| 183 | L | B | -0.3964 | |
| 184 | N | B | -0.8627 | |
| 185 | W | B | -0.6782 | |
| 186 | A | B | -1.2688 | |
| 187 | N | B | -2.0511 | |
| 188 | V | B | 0.0000 | |
| 189 | H | B | -2.2661 | |
| 190 | K | B | -3.0136 | |
| 191 | R | B | -2.9699 | |
| 192 | L | B | -1.5370 | |
| 193 | I | B | 0.0000 | |
| 194 | P | B | 0.0000 | |
| 195 | Q | B | -1.1171 | |
| 196 | L | B | 0.0000 | |
| 197 | I | B | 0.0000 | |
| 198 | R | B | -0.4734 | |
| 199 | K | B | 0.0000 | |
| 200 | G | B | 0.0000 | |
| 201 | V | B | 0.0000 | |
| 202 | V | B | 0.0000 | |
| 203 | Y | B | 0.0000 | |
| 204 | S | B | -1.6707 | |
| 205 | R | B | -2.2999 | |
| 206 | S | B | 0.0000 | |
| 207 | N | B | -2.2468 | |
| 208 | Y | B | -1.6259 | |
| 209 | V | B | 0.0000 | |
| 210 | K | B | -2.2280 | |
| 211 | K | B | -1.4013 | |
| 212 | G | B | 0.0000 | |
| 213 | L | B | 0.0000 | |
| 214 | Y | B | 0.0000 | |
| 215 | F | B | 0.0000 | |
| 216 | I | B | 0.0000 | |
| 217 | L | B | 0.0000 | |
| 218 | P | B | 0.0000 | |
| 219 | D | B | -0.2793 | |
| 220 | I | B | -0.3640 | |
| 221 | V | B | 0.0000 | |
| 222 | Y | B | 0.0000 | |
| 223 | K | B | -2.0327 | |
| 224 | K | B | -1.7820 | |
| 225 | F | B | 0.0000 | |
| 226 | E | B | -2.1519 | |
| 227 | D | B | -2.5169 | |
| 228 | V | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | G | B | -1.8805 | |
| 231 | S | B | -1.8614 | |
| 232 | D | B | -1.7806 | |
| 233 | I | B | 0.0000 | |
| 234 | P | B | 0.0908 | |
| 235 | L | B | 1.2152 | |
| 236 | L | B | 0.7068 | |
| 237 | D | B | -0.4423 | |
| 238 | F | B | 0.8662 | |
| 239 | Q | B | -0.5392 | |
| 240 | N | B | -1.2514 | |
| 241 | N | B | -2.0866 | |
| 242 | K | B | -2.2350 | |
| 243 | T | B | 0.0000 | |
| 244 | I | B | 0.0000 | |
| 245 | T | B | 0.0000 | |
| 246 | V | B | 0.0000 | |
| 247 | Y | B | 0.0000 | |
| 248 | T | B | 0.0000 | |
| 249 | Y | B | 0.0000 | |
| 250 | G | B | 0.1422 | |
| 251 | L | B | -0.1053 | |
| 252 | G | B | -0.2199 | |
| 253 | T | B | -0.4884 | |
| 254 | N | B | -1.2207 | |
| 255 | V | B | -0.4331 | |
| 256 | A | B | -0.4211 | |
| 257 | S | B | -0.4324 | |
| 258 | G | B | -1.0807 | |
| 259 | Q | B | -1.4708 | |
| 260 | Q | B | -1.1853 | |
| 261 | R | B | 0.0000 | |
| 262 | S | B | -0.4653 | |
| 263 | L | B | 0.1570 | |
| 264 | V | B | 0.6930 | |
| 265 | Q | B | -0.0292 | |
| 266 | M | B | 0.3309 | |
| 267 | R | B | -0.5448 | |
| 268 | K | B | -0.9595 | |
| 269 | I | B | 0.0724 | |
| 270 | I | B | 0.4340 | |
| 271 | F | B | 0.0000 | |
| 272 | D | B | -0.8162 | |
| 273 | L | B | 0.0000 | |
| 274 | D | B | -2.0685 | |
| 275 | E | B | -1.5183 | |
| 276 | F | B | 0.0000 | |
| 277 | S | B | 0.0000 | |
| 278 | K | B | -1.5028 | |
| 279 | R | B | -0.8335 | |
| 280 | F | B | -0.5314 | |
| 281 | T | B | 0.0000 | |
| 282 | T | B | 0.0000 | |
| 283 | G | B | -0.8092 | |
| 284 | P | B | -1.3602 | |
| 285 | N | B | -1.3373 | |
| 286 | L | B | -0.6985 | |
| 287 | P | B | -1.4443 | |
| 288 | S | B | -1.5727 | |
| 289 | G | B | 0.0000 | |
| 290 | E | B | -2.8075 | |
| 291 | D | B | -2.3080 | |
| 292 | L | B | 0.0000 | |
| 293 | D | B | 0.0000 | |
| 294 | A | B | -1.0121 | |
| 295 | V | B | -1.0585 | |
| 296 | I | B | 0.0000 | |
| 297 | K | B | -0.9613 | |
| 298 | K | B | -1.4979 | |
| 299 | A | B | -1.2300 | |
| 300 | L | B | 0.0000 | |
| 301 | G | B | -0.8033 | |
| 302 | V | B | -0.1908 | |
| 303 | L | B | 0.9264 |
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 | -0.6668 | 3.7134 | View | CSV | PDB |
| 4.5 | -0.7252 | 3.5193 | View | CSV | PDB |
| 5.0 | -0.7916 | 3.3079 | View | CSV | PDB |
| 5.5 | -0.8541 | 3.0919 | View | CSV | PDB |
| 6.0 | -0.9012 | 2.8777 | View | CSV | PDB |
| 6.5 | -0.925 | 2.6679 | View | CSV | PDB |
| 7.0 | -0.9265 | 2.4629 | View | CSV | PDB |
| 7.5 | -0.9137 | 2.2644 | View | CSV | PDB |
| 8.0 | -0.8922 | 2.0806 | View | CSV | PDB |
| 8.5 | -0.8621 | 2.1119 | View | CSV | PDB |
| 9.0 | -0.8219 | 2.1516 | 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