| Chain sequence(s) |
A: SVPEEEASKYVGQGFQPPAEKDAIEFSKKHKDKIAKRGEQFFDNFGLKVKATNVVGSGDGVEVFVHCDDHDIVFNASIPFDKSIIESDSSLRSEDKGDDSTLVGTVLSGFEYRAHKEELDNLTEVLKEYKSKYKYTGYTENAIKTQNSGFRNEYYYLTAIPYTLDEYKRYFQPLIKEDDKSFRDGRNSKKQLKDKSRPYVVTTLFSTKDNFTKDNTIDEIDFSEVLKKKKNIPHDLNVSLQISNKYINTKRPNYSKKEVIEVGVFNHE
B: SVPEEEASKYVGQGFQPPAEKDAIEFSKKHKDKIAKRGEQFFDNFGLKVKATNVVGSGDGVEVFVHCDDHDIVFNASIPFDKSIIESDSSLRSEDKGDDSTLVGTVLSGFEYRAHKEELDNLTEVLKEYKSKYKYTGYTENAIKTQNSGFRNEYYYLTAIPYTLDEYKRYFQPLIKEDDKSFRDGRNSKKQLKDKSRPYVVTTLFSTKDNFTKDNTIDEIDFSEVLKKKKNIPHDLNVSLQISNKYINTKRPNYSKKEVIEVGVFNHE 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2fde98203fac18b/tmp/folded.pdb (00:19:49)
[INFO] Main: Simulation completed successfully. (00:33:15)
|
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 |
|---|---|---|---|---|
| 39 | S | A | -0.1991 | |
| 40 | V | A | -0.4779 | |
| 41 | P | A | -1.7992 | |
| 42 | E | A | -3.2571 | |
| 43 | E | A | -3.4327 | |
| 45 | E | A | -2.2043 | |
| 46 | A | A | 0.0000 | |
| 47 | S | A | -1.4003 | |
| 48 | K | A | -1.9519 | |
| 49 | Y | A | 0.0000 | |
| 50 | V | A | -0.4848 | |
| 51 | G | A | -1.0931 | |
| 52 | Q | A | -0.9614 | |
| 53 | G | A | -1.2004 | |
| 54 | F | A | -0.8937 | |
| 55 | Q | A | -0.7340 | |
| 56 | P | A | -0.6119 | |
| 57 | P | A | -0.8638 | |
| 58 | A | A | -1.1559 | |
| 59 | E | A | -2.0166 | |
| 60 | K | A | -2.9292 | |
| 61 | D | A | -3.0064 | |
| 62 | A | A | 0.0000 | |
| 63 | I | A | -2.0489 | |
| 64 | E | A | -2.8737 | |
| 65 | F | A | -2.4928 | |
| 66 | S | A | 0.0000 | |
| 67 | K | A | -3.4224 | |
| 68 | K | A | -3.5126 | |
| 69 | H | A | -3.1144 | |
| 70 | K | A | -3.8349 | |
| 71 | D | A | -3.8526 | |
| 72 | K | A | -3.5109 | |
| 73 | I | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | K | A | -3.2988 | |
| 76 | R | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | E | A | -1.9169 | |
| 79 | Q | A | -1.8990 | |
| 80 | F | A | -1.0037 | |
| 81 | F | A | 0.0000 | |
| 83 | D | A | -1.4947 | |
| 84 | N | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | G | A | -1.1595 | |
| 87 | L | A | 0.0000 | |
| 88 | K | A | -2.6150 | |
| 89 | V | A | -2.2687 | |
| 90 | K | A | -2.7200 | |
| 91 | A | A | 0.0000 | |
| 92 | T | A | -0.8649 | |
| 93 | N | A | -0.7992 | |
| 94 | V | A | -0.9732 | |
| 95 | V | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | S | A | -0.7610 | |
| 98 | G | A | 0.0000 | |
| 99 | D | A | -1.7941 | |
| 100 | G | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -0.4909 | |
| 103 | V | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -1.7077 | |
| 107 | C | A | 0.0000 | |
| 108 | D | A | -2.6722 | |
| 109 | D | A | 0.0000 | |
| 110 | H | A | -2.2454 | |
| 111 | D | A | -1.8619 | |
| 112 | I | A | 0.0000 | |
| 113 | V | A | -1.0133 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.0441 | |
| 116 | A | A | 0.0000 | |
| 117 | S | A | -0.3318 | |
| 118 | I | A | -0.1891 | |
| 119 | P | A | -0.6179 | |
| 120 | F | A | -1.0326 | |
| 121 | D | A | -2.3078 | |
| 122 | K | A | -1.9162 | |
| 123 | S | A | -1.5257 | |
| 124 | I | A | 0.0000 | |
| 125 | I | A | -1.8807 | |
| 126 | E | A | -2.3016 | |
| 127 | S | A | -1.9237 | |
| 128 | D | A | -2.6206 | |
| 129 | S | A | -1.6481 | |
| 130 | S | A | -1.3584 | |
| 131 | L | A | -1.4807 | |
| 132 | R | A | -2.6540 | |
| 133 | S | A | -2.6582 | |
| 134 | E | A | -3.7534 | |
| 135 | D | A | -4.3366 | |
| 136 | K | A | -4.0805 | |
| 137 | G | A | -3.5299 | |
| 138 | D | A | -3.4590 | |
| 139 | D | A | -3.2916 | |
| 141 | S | A | -1.9868 | |
| 142 | T | A | -1.0912 | |
| 143 | L | A | -0.6749 | |
| 144 | V | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | E | A | -0.2985 | |
| 153 | Y | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | A | A | -1.5315 | |
| 156 | H | A | -1.5389 | |
| 157 | K | A | -1.9918 | |
| 158 | E | A | -2.9298 | |
| 159 | E | A | -3.1609 | |
| 160 | L | A | 0.0000 | |
| 161 | D | A | -2.3872 | |
| 162 | N | A | -2.5942 | |
| 163 | L | A | 0.0000 | |
| 164 | T | A | -2.0404 | |
| 165 | E | A | -2.8834 | |
| 166 | V | A | -2.0891 | |
| 167 | L | A | 0.0000 | |
| 168 | K | A | -2.7696 | |
| 169 | E | A | -3.1656 | |
| 170 | Y | A | -2.4568 | |
| 171 | K | A | -2.6360 | |
| 172 | S | A | -2.3383 | |
| 173 | K | A | -2.7404 | |
| 174 | Y | A | 0.0000 | |
| 175 | K | A | -2.3097 | |
| 176 | Y | A | 0.0000 | |
| 177 | T | A | -0.8460 | |
| 178 | G | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | T | A | -1.4484 | |
| 181 | E | A | -2.3294 | |
| 182 | N | A | -1.6831 | |
| 183 | A | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 186 | K | A | -1.2027 | |
| 187 | T | A | 0.0000 | |
| 188 | Q | A | -0.9206 | |
| 189 | N | A | -0.9520 | |
| 190 | S | A | -0.4660 | |
| 191 | G | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | R | A | -0.5477 | |
| 194 | N | A | -0.7984 | |
| 195 | E | A | -1.2513 | |
| 196 | Y | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | Y | A | 0.1703 | |
| 199 | L | A | 0.0000 | |
| 200 | T | A | 0.2790 | |
| 201 | A | A | 0.3605 | |
| 202 | I | A | 0.7632 | |
| 203 | P | A | -0.0765 | |
| 204 | Y | A | -0.2821 | |
| 205 | T | A | -2.0708 | |
| 206 | L | A | -2.1737 | |
| 207 | D | A | -3.0669 | |
| 208 | E | A | -2.0615 | |
| 209 | Y | A | 0.0000 | |
| 210 | K | A | -2.5398 | |
| 211 | R | A | -2.8096 | |
| 212 | Y | A | -1.6402 | |
| 213 | F | A | -0.8530 | |
| 214 | Q | A | -1.3074 | |
| 215 | P | A | -1.3351 | |
| 216 | L | A | -1.5446 | |
| 217 | I | A | 0.0000 | |
| 218 | K | A | -2.8060 | |
| 219 | E | A | -3.2372 | |
| 220 | D | A | -3.7230 | |
| 221 | D | A | -3.3757 | |
| 222 | K | A | -3.0974 | |
| 223 | S | A | -2.6492 | |
| 224 | F | A | 0.0000 | |
| 225 | R | A | -2.4175 | |
| 226 | D | A | -2.3022 | |
| 227 | G | A | -2.0352 | |
| 229 | R | A | -3.3781 | |
| 230 | N | A | -3.3801 | |
| 231 | S | A | 0.0000 | |
| 232 | K | A | -3.4409 | |
| 233 | K | A | -4.2138 | |
| 234 | Q | A | -3.0802 | |
| 235 | L | A | -2.2657 | |
| 236 | K | A | -3.3811 | |
| 237 | D | A | -2.7276 | |
| 238 | K | A | -3.0547 | |
| 239 | S | A | -1.8483 | |
| 240 | R | A | -1.8091 | |
| 241 | P | A | -0.2209 | |
| 242 | Y | A | 0.3414 | |
| 243 | V | A | 0.0000 | |
| 244 | V | A | 0.0875 | |
| 245 | T | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | T | A | -1.6350 | |
| 251 | K | A | -2.0648 | |
| 252 | D | A | -2.6634 | |
| 253 | N | A | -2.3526 | |
| 254 | F | A | -1.8930 | |
| 255 | T | A | -2.0772 | |
| 256 | K | A | -2.8140 | |
| 257 | D | A | -2.7510 | |
| 258 | N | A | -2.3409 | |
| 259 | T | A | 0.0000 | |
| 260 | I | A | -1.5650 | |
| 261 | D | A | -2.3328 | |
| 262 | E | A | -2.3492 | |
| 264 | I | A | -0.4153 | |
| 265 | D | A | -1.6860 | |
| 266 | F | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | E | A | -2.3819 | |
| 269 | V | A | -1.5099 | |
| 270 | L | A | 0.0000 | |
| 271 | K | A | -2.9157 | |
| 272 | K | A | -3.4062 | |
| 273 | K | A | -3.0356 | |
| 274 | K | A | -3.4248 | |
| 275 | N | A | -3.1428 | |
| 276 | I | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | H | A | -2.5316 | |
| 279 | D | A | -2.4616 | |
| 280 | L | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | S | A | -0.5780 | |
| 284 | L | A | 0.0000 | |
| 285 | Q | A | -0.8885 | |
| 286 | I | A | -0.6985 | |
| 287 | S | A | 0.0000 | |
| 288 | N | A | -1.6814 | |
| 289 | K | A | -1.6128 | |
| 290 | Y | A | -1.4214 | |
| 291 | I | A | 0.0000 | |
| 292 | N | A | -3.2080 | |
| 293 | T | A | 0.0000 | |
| 294 | K | A | -2.5481 | |
| 295 | R | A | -2.1936 | |
| 296 | P | A | 0.0000 | |
| 297 | N | A | -1.8639 | |
| 298 | Y | A | 0.0000 | |
| 299 | S | A | -1.6145 | |
| 300 | K | A | -2.6923 | |
| 301 | K | A | -2.2619 | |
| 302 | E | A | -2.7454 | |
| 303 | V | A | -1.7317 | |
| 304 | I | A | 0.0000 | |
| 305 | E | A | -1.8187 | |
| 306 | V | A | -0.8416 | |
| 307 | G | A | -1.0705 | |
| 308 | V | A | 0.0000 | |
| 309 | F | A | -1.4246 | |
| 310 | N | A | -2.3745 | |
| 311 | H | A | -2.5810 | |
| 312 | E | A | -2.7148 | |
| 39 | S | B | -0.2371 | |
| 40 | V | B | -0.5365 | |
| 41 | P | B | -1.7196 | |
| 42 | E | B | -3.0967 | |
| 43 | E | B | -3.1577 | |
| 45 | E | B | -1.8319 | |
| 46 | A | B | 0.0000 | |
| 47 | S | B | -1.3175 | |
| 48 | K | B | -1.8404 | |
| 49 | Y | B | 0.0000 | |
| 50 | V | B | -0.6119 | |
| 51 | G | B | -1.1380 | |
| 52 | Q | B | -0.9657 | |
| 53 | G | B | -0.9790 | |
| 54 | F | B | -0.8807 | |
| 55 | Q | B | -0.8297 | |
| 56 | P | B | -0.8660 | |
| 57 | P | B | -1.3245 | |
| 58 | A | B | -2.1692 | |
| 59 | E | B | -3.7318 | |
| 60 | K | B | -3.7453 | |
| 61 | D | B | -3.6587 | |
| 62 | A | B | 0.0000 | |
| 63 | I | B | -2.5795 | |
| 64 | E | B | -2.9677 | |
| 65 | F | B | -2.7066 | |
| 66 | S | B | 0.0000 | |
| 67 | K | B | -3.3921 | |
| 68 | K | B | -3.4469 | |
| 69 | H | B | -2.9969 | |
| 70 | K | B | -3.7934 | |
| 71 | D | B | -3.7208 | |
| 72 | K | B | -3.2015 | |
| 73 | I | B | 0.0000 | |
| 74 | A | B | 0.0000 | |
| 75 | K | B | -3.1953 | |
| 76 | R | B | 0.0000 | |
| 77 | G | B | 0.0000 | |
| 78 | E | B | -1.9413 | |
| 79 | Q | B | -1.9997 | |
| 80 | F | B | -1.1387 | |
| 81 | F | B | 0.0000 | |
| 83 | D | B | -1.8379 | |
| 84 | N | B | 0.0000 | |
| 85 | F | B | 0.0000 | |
| 86 | G | B | -1.4234 | |
| 87 | L | B | 0.0000 | |
| 88 | K | B | -2.7341 | |
| 89 | V | B | -2.3239 | |
| 90 | K | B | -2.7349 | |
| 91 | A | B | 0.0000 | |
| 92 | T | B | -0.9380 | |
| 93 | N | B | -0.8621 | |
| 94 | V | B | -1.0493 | |
| 95 | V | B | 0.0000 | |
| 96 | G | B | 0.0000 | |
| 97 | S | B | -1.4984 | |
| 98 | G | B | -2.3163 | |
| 99 | D | B | -3.3853 | |
| 100 | G | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -0.5757 | |
| 103 | V | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | H | B | -1.7879 | |
| 107 | C | B | 0.0000 | |
| 108 | D | B | -2.7731 | |
| 109 | D | B | -2.2562 | |
| 110 | H | B | -2.4301 | |
| 111 | D | B | -1.8042 | |
| 112 | I | B | 0.0000 | |
| 113 | V | B | -1.0921 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | 0.0000 | |
| 116 | A | B | 0.0000 | |
| 117 | S | B | -0.4243 | |
| 118 | I | B | 0.0000 | |
| 119 | P | B | -0.7121 | |
| 120 | F | B | -1.2214 | |
| 121 | D | B | -2.4328 | |
| 122 | K | B | -1.9445 | |
| 123 | S | B | -1.4358 | |
| 124 | I | B | 0.0000 | |
| 125 | I | B | -1.7411 | |
| 126 | E | B | -2.2307 | |
| 127 | S | B | -1.8740 | |
| 128 | D | B | -2.5770 | |
| 129 | S | B | -1.6385 | |
| 130 | S | B | -1.4230 | |
| 131 | L | B | -1.5621 | |
| 132 | R | B | -2.7592 | |
| 133 | S | B | -2.6916 | |
| 134 | E | B | -3.7452 | |
| 135 | D | B | -4.3199 | |
| 136 | K | B | -4.0597 | |
| 137 | G | B | -3.2973 | |
| 138 | D | B | -3.4191 | |
| 139 | D | B | -3.2762 | |
| 141 | S | B | -1.9376 | |
| 142 | T | B | -1.0505 | |
| 143 | L | B | -0.6896 | |
| 144 | V | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | T | B | -0.0005 | |
| 147 | V | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | S | B | 0.0000 | |
| 150 | G | B | 0.0000 | |
| 151 | F | B | 0.0000 | |
| 152 | E | B | -0.2966 | |
| 153 | Y | B | 0.0000 | |
| 154 | R | B | 0.0000 | |
| 155 | A | B | -1.5639 | |
| 156 | H | B | -1.7012 | |
| 157 | K | B | -2.1616 | |
| 158 | E | B | -3.1710 | |
| 159 | E | B | -3.4214 | |
| 160 | L | B | 0.0000 | |
| 161 | D | B | -2.3646 | |
| 162 | N | B | -2.3688 | |
| 163 | L | B | 0.0000 | |
| 164 | T | B | -0.9803 | |
| 165 | E | B | -1.0624 | |
| 166 | V | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | K | B | -1.1504 | |
| 169 | E | B | -1.1363 | |
| 170 | Y | B | 0.0000 | |
| 171 | K | B | -1.7772 | |
| 172 | S | B | -1.5644 | |
| 173 | K | B | -1.7810 | |
| 174 | Y | B | 0.0000 | |
| 175 | K | B | -1.7561 | |
| 176 | Y | B | 0.0000 | |
| 177 | T | B | -0.7293 | |
| 178 | G | B | 0.0000 | |
| 179 | Y | B | 0.0000 | |
| 180 | T | B | -1.4965 | |
| 181 | E | B | -2.4617 | |
| 182 | N | B | -2.0753 | |
| 183 | A | B | 0.0000 | |
| 184 | I | B | -1.2023 | |
| 186 | K | B | -1.3830 | |
| 187 | T | B | 0.0000 | |
| 188 | Q | B | -0.9194 | |
| 189 | N | B | -0.9582 | |
| 190 | S | B | -0.4370 | |
| 191 | G | B | 0.0000 | |
| 192 | F | B | 0.0000 | |
| 193 | R | B | -0.4812 | |
| 194 | N | B | -0.6916 | |
| 195 | E | B | -1.1142 | |
| 196 | Y | B | 0.0000 | |
| 197 | Y | B | 0.0000 | |
| 198 | Y | B | 0.1733 | |
| 199 | L | B | 0.0000 | |
| 200 | T | B | 0.2754 | |
| 201 | A | B | 0.3841 | |
| 202 | I | B | 0.8082 | |
| 203 | P | B | 0.1195 | |
| 204 | Y | B | -0.2802 | |
| 205 | T | B | -2.1096 | |
| 206 | L | B | -2.3208 | |
| 207 | D | B | -3.1937 | |
| 208 | E | B | -2.1966 | |
| 209 | Y | B | 0.0000 | |
| 210 | K | B | -3.0627 | |
| 211 | R | B | -3.0704 | |
| 212 | Y | B | -1.8666 | |
| 213 | F | B | -1.1341 | |
| 214 | Q | B | -1.8014 | |
| 215 | P | B | -1.5750 | |
| 216 | L | B | -1.7754 | |
| 217 | I | B | 0.0000 | |
| 218 | K | B | -2.9904 | |
| 219 | E | B | -3.4212 | |
| 220 | D | B | -3.8316 | |
| 221 | D | B | -3.4142 | |
| 222 | K | B | -3.1468 | |
| 223 | S | B | -2.7242 | |
| 224 | F | B | 0.0000 | |
| 225 | R | B | -2.5131 | |
| 226 | D | B | -2.4290 | |
| 227 | G | B | -1.9532 | |
| 229 | R | B | -3.4808 | |
| 230 | N | B | -3.5449 | |
| 231 | S | B | 0.0000 | |
| 232 | K | B | -3.5061 | |
| 233 | K | B | -4.2539 | |
| 234 | Q | B | -3.1665 | |
| 235 | L | B | -2.3002 | |
| 236 | K | B | -3.4148 | |
| 237 | D | B | -2.7514 | |
| 238 | K | B | -3.0350 | |
| 239 | S | B | -1.7769 | |
| 240 | R | B | -1.7641 | |
| 241 | P | B | 0.0000 | |
| 242 | Y | B | 0.3782 | |
| 243 | V | B | 0.0000 | |
| 244 | V | B | 0.1318 | |
| 245 | T | B | 0.0000 | |
| 246 | T | B | 0.0000 | |
| 247 | L | B | 0.0000 | |
| 248 | F | B | 0.0000 | |
| 249 | S | B | 0.0000 | |
| 250 | T | B | -1.7171 | |
| 251 | K | B | -2.0055 | |
| 252 | D | B | -2.6839 | |
| 253 | N | B | -2.3654 | |
| 254 | F | B | -1.9277 | |
| 255 | T | B | -2.1542 | |
| 256 | K | B | -2.8838 | |
| 257 | D | B | -2.8400 | |
| 258 | N | B | -2.4563 | |
| 259 | T | B | 0.0000 | |
| 260 | I | B | -1.5109 | |
| 261 | D | B | -2.2098 | |
| 262 | E | B | -1.9382 | |
| 264 | I | B | -0.3605 | |
| 265 | D | B | -1.6617 | |
| 266 | F | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | E | B | -2.5887 | |
| 269 | V | B | -1.6470 | |
| 270 | L | B | 0.0000 | |
| 271 | K | B | -3.0237 | |
| 272 | K | B | -3.4313 | |
| 273 | K | B | -2.9909 | |
| 274 | K | B | -3.4214 | |
| 275 | N | B | -3.2402 | |
| 276 | I | B | 0.0000 | |
| 277 | P | B | 0.0000 | |
| 278 | H | B | -2.5536 | |
| 279 | D | B | -2.4862 | |
| 280 | L | B | 0.0000 | |
| 281 | N | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | S | B | -0.5548 | |
| 284 | L | B | 0.0000 | |
| 285 | Q | B | -0.8804 | |
| 286 | I | B | -0.7121 | |
| 287 | S | B | 0.0000 | |
| 288 | N | B | -1.6429 | |
| 289 | K | B | -1.3102 | |
| 290 | Y | B | -1.0853 | |
| 291 | I | B | 0.0000 | |
| 292 | N | B | -2.6524 | |
| 293 | T | B | 0.0000 | |
| 294 | K | B | -2.5126 | |
| 295 | R | B | -2.6393 | |
| 296 | P | B | 0.0000 | |
| 297 | N | B | -1.9365 | |
| 298 | Y | B | 0.0000 | |
| 299 | S | B | -1.6243 | |
| 300 | K | B | -2.7143 | |
| 301 | K | B | -2.1917 | |
| 302 | E | B | -2.7710 | |
| 303 | V | B | -1.7580 | |
| 304 | I | B | 0.0000 | |
| 305 | E | B | -1.8114 | |
| 306 | V | B | -0.6835 | |
| 307 | G | B | -1.0874 | |
| 308 | V | B | 0.0000 | |
| 309 | F | B | -1.4285 | |
| 310 | N | B | -2.3551 | |
| 311 | H | B | -2.5186 | |
| 312 | E | B | -2.6819 |
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 | -1.4069 | 2.2047 | View | CSV | PDB |
| 4.5 | -1.5293 | 2.0135 | View | CSV | PDB |
| 5.0 | -1.6737 | 1.9518 | View | CSV | PDB |
| 5.5 | -1.8139 | 1.8869 | View | CSV | PDB |
| 6.0 | -1.9207 | 1.8224 | View | CSV | PDB |
| 6.5 | -1.9719 | 1.7886 | View | CSV | PDB |
| 7.0 | -1.9687 | 1.7887 | View | CSV | PDB |
| 7.5 | -1.9301 | 1.7933 | View | CSV | PDB |
| 8.0 | -1.872 | 1.8014 | View | CSV | PDB |
| 8.5 | -1.7975 | 1.8124 | View | CSV | PDB |
| 9.0 | -1.703 | 1.8251 | 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