| Chain sequence(s) |
A: NIKIFSGSSHQDLSQKIADRLGLELGKVVTKKFSNQETCVEIGESVRGEDVYIVQSGCGEINDNLMELLIMINACKIASASRVTAVIPCFPYARQDKKDKSRAPISAKLVANMLSVAGADHIITMDLHASQIQGFFDIPVDNLYAEPAVLKWIRENISEWRNCTIVSPDAGGAKRVTSIADRLNVDFALIHKERDRMVLVGDVKDRVAILVDDMADTCGTICHAADKLLSAGATRVYAILTHGIFSGPAISRINNACFEAVVVTNTIPQEDKMKHCSKIQVIDISMILAEAIRRTHNGESVSYLF
B: NIKIFSGSSHQDLSQKIADRLGLELGKVVTKKFSNQETCVEIGESVRGEDVYIVQSGCGEINDNLMELLIMINACKIASASRVTAVIPCFPYARQDKKDKSRAPISAKLVANMLSVAGADHIITMDLHASQIQGFFDIPVDNLYAEPAVLKWIRENISEWRNCTIVSPDAGGAKRVTSIADRLNVDFALIHKEDRMVLVGDVKDRVAILVDDMADTCGTICHAADKLLSAGATRVYAILTHGIFSGPAISRINNACFEAVVVTNTIPQEDKMKHCSKIQVIDISMILAEAIRRTHNGESVSYLFSHVP 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] (00:00:01)
[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 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f25f5eb5240c1cc/tmp/folded.pdb (00:15:08)
[INFO] Main: Simulation completed successfully. (00:24:13)
|
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 |
|---|---|---|---|---|
| 3 | N | A | -1.6752 | |
| 4 | I | A | -0.8842 | |
| 5 | K | A | -0.9341 | |
| 6 | I | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | S | A | -0.7719 | |
| 9 | G | A | 0.0000 | |
| 10 | S | A | -0.5174 | |
| 11 | S | A | -0.7443 | |
| 12 | H | A | 0.0000 | |
| 13 | Q | A | -2.3124 | |
| 14 | D | A | -2.9041 | |
| 15 | L | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | Q | A | -2.6484 | |
| 18 | K | A | -2.5760 | |
| 19 | I | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | D | A | -2.8551 | |
| 22 | R | A | -2.0771 | |
| 23 | L | A | -1.3293 | |
| 24 | G | A | -1.5061 | |
| 25 | L | A | -1.3964 | |
| 26 | E | A | -2.4712 | |
| 27 | L | A | -1.5565 | |
| 28 | G | A | -1.2852 | |
| 29 | K | A | -1.9773 | |
| 30 | V | A | -0.7448 | |
| 31 | V | A | -0.2080 | |
| 32 | T | A | -1.0373 | |
| 33 | K | A | -2.3627 | |
| 34 | K | A | -2.7198 | |
| 35 | F | A | -0.9069 | |
| 36 | S | A | -1.3762 | |
| 37 | N | A | -2.2833 | |
| 38 | Q | A | -2.7909 | |
| 39 | E | A | -2.8039 | |
| 40 | T | A | -1.6843 | |
| 41 | C | A | -1.1568 | |
| 42 | V | A | -0.9701 | |
| 43 | E | A | -1.6056 | |
| 44 | I | A | -0.8972 | |
| 45 | G | A | -1.1140 | |
| 46 | E | A | -1.5263 | |
| 47 | S | A | -1.4673 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.4738 | |
| 50 | G | A | -2.0249 | |
| 51 | E | A | -1.8277 | |
| 52 | D | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | G | A | -0.4563 | |
| 60 | C | A | -0.3967 | |
| 61 | G | A | -0.8764 | |
| 62 | E | A | -1.6314 | |
| 63 | I | A | -0.4782 | |
| 64 | N | A | -1.1650 | |
| 65 | D | A | -1.5544 | |
| 66 | N | A | -0.5131 | |
| 67 | L | A | 0.0000 | |
| 68 | M | A | 0.2312 | |
| 69 | E | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | L | A | 0.6556 | |
| 72 | I | A | 0.4003 | |
| 73 | M | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | N | A | 0.1072 | |
| 76 | A | A | 0.0235 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -0.3419 | |
| 79 | I | A | 1.2494 | |
| 80 | A | A | -0.0769 | |
| 81 | S | A | -0.7548 | |
| 82 | A | A | 0.0000 | |
| 83 | S | A | -1.5588 | |
| 84 | R | A | -1.2740 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | C | A | 0.1812 | |
| 92 | F | A | 0.0000 | |
| 93 | P | A | 0.0000 | |
| 94 | Y | A | -0.2345 | |
| 95 | A | A | 0.0000 | |
| 96 | R | A | -1.9563 | |
| 97 | Q | A | -1.6683 | |
| 98 | D | A | 0.0000 | |
| 99 | K | A | -1.8272 | |
| 100 | K | A | -2.4092 | |
| 101 | D | A | -2.8388 | |
| 102 | K | A | -2.0786 | |
| 103 | S | A | -2.1035 | |
| 104 | R | A | -2.4490 | |
| 105 | A | A | -1.7432 | |
| 106 | P | A | -0.8334 | |
| 107 | I | A | -0.5905 | |
| 108 | S | A | 0.0244 | |
| 109 | A | A | 0.0000 | |
| 110 | K | A | 0.0000 | |
| 111 | L | A | 1.1522 | |
| 112 | V | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | 0.2420 | |
| 115 | M | A | 1.0530 | |
| 116 | L | A | 0.0000 | |
| 117 | S | A | 0.5590 | |
| 118 | V | A | 1.5395 | |
| 119 | A | A | 0.0000 | |
| 120 | G | A | 0.3305 | |
| 121 | A | A | 0.0000 | |
| 122 | D | A | -0.7184 | |
| 123 | H | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | D | A | -0.2484 | |
| 129 | L | A | 0.0000 | |
| 130 | H | A | -0.8292 | |
| 131 | A | A | -0.6139 | |
| 132 | S | A | -0.9745 | |
| 133 | Q | A | -0.8067 | |
| 134 | I | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | G | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | D | A | -1.6521 | |
| 140 | I | A | -0.7594 | |
| 141 | P | A | -0.6701 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | -0.4240 | |
| 144 | N | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | Y | A | 0.1024 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | -0.6253 | |
| 149 | P | A | -0.6279 | |
| 150 | A | A | -0.6763 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -2.7013 | |
| 154 | W | A | -1.9803 | |
| 155 | I | A | 0.0000 | |
| 156 | R | A | -3.3748 | |
| 157 | E | A | -3.2919 | |
| 158 | N | A | -2.4790 | |
| 159 | I | A | 0.0000 | |
| 160 | S | A | -1.8820 | |
| 161 | E | A | -2.1534 | |
| 162 | W | A | -2.5029 | |
| 163 | R | A | -3.1450 | |
| 164 | N | A | -2.8321 | |
| 165 | C | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | D | A | -1.2880 | |
| 172 | A | A | 0.0000 | |
| 173 | G | A | -1.3954 | |
| 174 | G | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | K | A | -1.8127 | |
| 177 | R | A | -1.2812 | |
| 178 | V | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | S | A | -1.5550 | |
| 181 | I | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | D | A | -2.3658 | |
| 184 | R | A | -2.4040 | |
| 185 | L | A | 0.0000 | |
| 186 | N | A | -2.7075 | |
| 187 | V | A | -1.8005 | |
| 188 | D | A | -1.5512 | |
| 189 | F | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | H | A | 0.0000 | |
| 194 | K | A | -2.7473 | |
| 195 | E | A | -3.5484 | |
| 196 | R | A | -3.6377 | |
| 203 | D | A | -3.5961 | |
| 204 | R | A | -3.4113 | |
| 205 | M | A | -2.0820 | |
| 206 | V | A | -0.7443 | |
| 207 | L | A | -0.1592 | |
| 208 | V | A | 0.0000 | |
| 209 | G | A | -1.4306 | |
| 210 | D | A | -2.7296 | |
| 211 | V | A | 0.0000 | |
| 212 | K | A | -3.1904 | |
| 213 | D | A | -3.1445 | |
| 214 | R | A | -2.4703 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | -0.5670 | |
| 221 | D | A | 0.0000 | |
| 222 | M | A | -0.2452 | |
| 223 | A | A | 0.0000 | |
| 224 | D | A | -0.5128 | |
| 225 | T | A | -0.5591 | |
| 226 | C | A | 0.0000 | |
| 227 | G | A | -0.6193 | |
| 228 | T | A | -0.6552 | |
| 229 | I | A | 0.0000 | |
| 230 | C | A | -1.2438 | |
| 231 | H | A | -1.8473 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | D | A | -2.1200 | |
| 235 | K | A | -1.6137 | |
| 236 | L | A | 0.0000 | |
| 237 | L | A | -0.7571 | |
| 238 | S | A | -0.8290 | |
| 239 | A | A | -1.2945 | |
| 240 | G | A | -1.8219 | |
| 241 | A | A | 0.0000 | |
| 242 | T | A | -1.4254 | |
| 243 | R | A | -0.8796 | |
| 244 | V | A | 0.0000 | |
| 245 | Y | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | H | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | I | A | 0.2648 | |
| 253 | F | A | 0.0000 | |
| 254 | S | A | -0.4877 | |
| 255 | G | A | -0.6822 | |
| 256 | P | A | -0.6555 | |
| 257 | A | A | 0.0000 | |
| 258 | I | A | -0.9092 | |
| 259 | S | A | -1.1805 | |
| 260 | R | A | -1.4929 | |
| 261 | I | A | 0.0000 | |
| 262 | N | A | -1.6666 | |
| 263 | N | A | -1.6740 | |
| 264 | A | A | -1.4336 | |
| 265 | C | A | -0.6826 | |
| 266 | F | A | 0.0000 | |
| 267 | E | A | -1.5081 | |
| 268 | A | A | -1.0203 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | N | A | -0.6774 | |
| 274 | T | A | 0.0000 | |
| 275 | I | A | -0.0315 | |
| 276 | P | A | -1.2185 | |
| 277 | Q | A | 0.0000 | |
| 278 | E | A | -3.3987 | |
| 279 | D | A | -3.5118 | |
| 280 | K | A | -2.6231 | |
| 281 | M | A | -2.3548 | |
| 282 | K | A | -3.2155 | |
| 283 | H | A | -2.5177 | |
| 284 | C | A | 0.0000 | |
| 285 | S | A | -1.1607 | |
| 286 | K | A | -1.2295 | |
| 287 | I | A | 0.0000 | |
| 288 | Q | A | -0.6567 | |
| 289 | V | A | -0.2668 | |
| 290 | I | A | -0.1531 | |
| 291 | D | A | -0.6515 | |
| 292 | I | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | M | A | -0.0573 | |
| 295 | I | A | 0.4696 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | E | A | -0.5076 | |
| 299 | A | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | R | A | -1.5530 | |
| 302 | R | A | -2.0084 | |
| 303 | T | A | -1.4693 | |
| 304 | H | A | -1.7831 | |
| 305 | N | A | -2.4285 | |
| 306 | G | A | -2.1888 | |
| 307 | E | A | -2.5627 | |
| 308 | S | A | -1.0742 | |
| 309 | V | A | -0.1499 | |
| 310 | S | A | -0.0076 | |
| 311 | Y | A | 1.2188 | |
| 312 | L | A | 1.0811 | |
| 313 | F | A | 0.8474 | |
| 3 | N | B | -1.6517 | |
| 4 | I | B | -0.9954 | |
| 5 | K | B | -0.8950 | |
| 6 | I | B | 0.0000 | |
| 7 | F | B | 0.0000 | |
| 8 | S | B | -0.9250 | |
| 9 | G | B | 0.0000 | |
| 10 | S | B | -0.5859 | |
| 11 | S | B | -0.9083 | |
| 12 | H | B | -1.5509 | |
| 13 | Q | B | -2.4647 | |
| 14 | D | B | -3.0535 | |
| 15 | L | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | Q | B | -3.0411 | |
| 18 | K | B | -3.0605 | |
| 19 | I | B | 0.0000 | |
| 20 | A | B | 0.0000 | |
| 21 | D | B | -3.3577 | |
| 22 | R | B | -2.9767 | |
| 23 | L | B | -1.8644 | |
| 24 | G | B | -1.7226 | |
| 25 | L | B | -1.5956 | |
| 26 | E | B | -2.6377 | |
| 27 | L | B | -1.6959 | |
| 28 | G | B | -1.3528 | |
| 29 | K | B | -1.9982 | |
| 30 | V | B | -0.8459 | |
| 31 | V | B | -0.4386 | |
| 32 | T | B | -1.0896 | |
| 33 | K | B | -2.0307 | |
| 34 | K | B | -1.8369 | |
| 35 | F | B | -0.7956 | |
| 36 | S | B | -0.9724 | |
| 37 | N | B | -1.9796 | |
| 38 | Q | B | -2.3035 | |
| 39 | E | B | -2.2157 | |
| 40 | T | B | -1.2467 | |
| 41 | C | B | -0.8122 | |
| 42 | V | B | -0.7383 | |
| 43 | E | B | -1.6370 | |
| 44 | I | B | -0.9376 | |
| 45 | G | B | -1.1444 | |
| 46 | E | B | -1.5420 | |
| 47 | S | B | -1.4000 | |
| 48 | V | B | 0.0000 | |
| 49 | R | B | -2.4307 | |
| 50 | G | B | -1.9076 | |
| 51 | E | B | -1.7405 | |
| 52 | D | B | 0.0000 | |
| 53 | V | B | 0.0000 | |
| 54 | Y | B | 0.0000 | |
| 55 | I | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | Q | B | -0.2157 | |
| 58 | S | B | -0.6943 | |
| 59 | G | B | -0.5328 | |
| 60 | C | B | -0.3377 | |
| 61 | G | B | -0.8459 | |
| 62 | E | B | -1.5496 | |
| 63 | I | B | -0.2541 | |
| 64 | N | B | -0.8751 | |
| 65 | D | B | -1.0866 | |
| 66 | N | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | M | B | 0.3573 | |
| 69 | E | B | 0.0000 | |
| 70 | L | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | I | B | 0.3396 | |
| 73 | M | B | 0.0000 | |
| 74 | I | B | 0.0000 | |
| 75 | N | B | 0.0295 | |
| 76 | A | B | -0.0037 | |
| 77 | C | B | 0.0000 | |
| 78 | K | B | -0.3098 | |
| 79 | I | B | 1.2418 | |
| 80 | A | B | -0.0453 | |
| 81 | S | B | -0.6900 | |
| 82 | A | B | -1.1989 | |
| 83 | S | B | -1.5386 | |
| 84 | R | B | -1.2781 | |
| 85 | V | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | A | B | 0.0000 | |
| 88 | V | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | P | B | 0.0000 | |
| 91 | C | B | 0.1849 | |
| 92 | F | B | 0.0000 | |
| 93 | P | B | 0.0000 | |
| 94 | Y | B | -0.2632 | |
| 95 | A | B | 0.0000 | |
| 96 | R | B | -2.1534 | |
| 97 | Q | B | -1.9054 | |
| 98 | D | B | 0.0000 | |
| 99 | K | B | -2.0207 | |
| 100 | K | B | -2.4935 | |
| 101 | D | B | -2.9536 | |
| 102 | K | B | -2.0821 | |
| 103 | S | B | -2.1598 | |
| 104 | R | B | -2.4742 | |
| 105 | A | B | -1.7494 | |
| 106 | P | B | -0.6904 | |
| 107 | I | B | -0.6836 | |
| 108 | S | B | -0.0286 | |
| 109 | A | B | 0.0000 | |
| 110 | K | B | 0.0000 | |
| 111 | L | B | 1.1311 | |
| 112 | V | B | 0.0000 | |
| 113 | A | B | 0.0000 | |
| 114 | N | B | 0.2045 | |
| 115 | M | B | 1.0215 | |
| 116 | L | B | 0.0000 | |
| 117 | S | B | 0.4756 | |
| 118 | V | B | 1.4902 | |
| 119 | A | B | 0.7663 | |
| 120 | G | B | 0.2412 | |
| 121 | A | B | 0.0000 | |
| 122 | D | B | -0.9577 | |
| 123 | H | B | -0.7744 | |
| 124 | I | B | 0.0000 | |
| 125 | I | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | M | B | 0.0000 | |
| 128 | D | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | H | B | -1.0024 | |
| 131 | A | B | -0.7952 | |
| 132 | S | B | -0.8846 | |
| 133 | Q | B | -0.7669 | |
| 134 | I | B | 0.0000 | |
| 135 | Q | B | 0.0000 | |
| 136 | G | B | 0.0000 | |
| 137 | F | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | D | B | -1.6967 | |
| 140 | I | B | -0.8575 | |
| 141 | P | B | -0.7316 | |
| 142 | V | B | 0.0000 | |
| 143 | D | B | -0.4527 | |
| 144 | N | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | Y | B | -0.0366 | |
| 147 | A | B | 0.0000 | |
| 148 | E | B | 0.0000 | |
| 149 | P | B | 0.0000 | |
| 150 | A | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | -1.2938 | |
| 153 | K | B | -2.3674 | |
| 154 | W | B | 0.0000 | |
| 155 | I | B | 0.0000 | |
| 156 | R | B | -3.8064 | |
| 157 | E | B | -3.5526 | |
| 158 | N | B | -2.7684 | |
| 159 | I | B | 0.0000 | |
| 160 | S | B | -2.0022 | |
| 161 | E | B | -2.2169 | |
| 162 | W | B | -2.6553 | |
| 163 | R | B | -3.2609 | |
| 164 | N | B | -2.8990 | |
| 165 | C | B | 0.0000 | |
| 166 | T | B | 0.0000 | |
| 167 | I | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | S | B | 0.0000 | |
| 170 | P | B | 0.0000 | |
| 171 | D | B | -1.1408 | |
| 172 | A | B | 0.0000 | |
| 173 | G | B | -1.4613 | |
| 174 | G | B | -1.4052 | |
| 175 | A | B | 0.0000 | |
| 176 | K | B | -2.1231 | |
| 177 | R | B | -1.3703 | |
| 178 | V | B | 0.0000 | |
| 179 | T | B | 0.0000 | |
| 180 | S | B | -1.5947 | |
| 181 | I | B | 0.0000 | |
| 182 | A | B | 0.0000 | |
| 183 | D | B | -2.2527 | |
| 184 | R | B | -2.2210 | |
| 185 | L | B | 0.0000 | |
| 186 | N | B | -2.6910 | |
| 187 | V | B | -1.7478 | |
| 188 | D | B | -1.5676 | |
| 189 | F | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | I | B | 0.0000 | |
| 193 | H | B | -1.4517 | |
| 194 | K | B | -2.9053 | |
| 195 | E | B | -3.4643 | |
| 203 | D | B | -3.3972 | |
| 204 | R | B | -3.6006 | |
| 205 | M | B | -2.1321 | |
| 206 | V | B | -0.6513 | |
| 207 | L | B | -0.1460 | |
| 208 | V | B | 0.0000 | |
| 209 | G | B | -1.4297 | |
| 210 | D | B | -2.7544 | |
| 211 | V | B | 0.0000 | |
| 212 | K | B | -3.2524 | |
| 213 | D | B | -3.2405 | |
| 214 | R | B | -2.8211 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | L | B | 0.0000 | |
| 219 | V | B | 0.0000 | |
| 220 | D | B | -0.6756 | |
| 221 | D | B | -0.4360 | |
| 222 | M | B | -0.2927 | |
| 223 | A | B | 0.0000 | |
| 224 | D | B | -0.2624 | |
| 225 | T | B | -0.5719 | |
| 226 | C | B | 0.0000 | |
| 227 | G | B | -0.7774 | |
| 228 | T | B | -0.6595 | |
| 229 | I | B | 0.0000 | |
| 230 | C | B | -1.3836 | |
| 231 | H | B | -2.1395 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | D | B | -2.2101 | |
| 235 | K | B | -1.6425 | |
| 236 | L | B | 0.0000 | |
| 237 | L | B | -0.9462 | |
| 238 | S | B | -0.8901 | |
| 239 | A | B | -1.3000 | |
| 240 | G | B | -1.7731 | |
| 241 | A | B | 0.0000 | |
| 242 | T | B | -1.2361 | |
| 243 | R | B | -1.1404 | |
| 244 | V | B | 0.0000 | |
| 245 | Y | B | 0.0000 | |
| 246 | A | B | 0.0000 | |
| 247 | I | B | 0.0000 | |
| 248 | L | B | 0.0000 | |
| 249 | T | B | 0.0000 | |
| 250 | H | B | 0.0000 | |
| 251 | G | B | 0.0000 | |
| 252 | I | B | 0.2307 | |
| 253 | F | B | 0.0000 | |
| 254 | S | B | -0.4103 | |
| 255 | G | B | -0.7246 | |
| 256 | P | B | -0.8070 | |
| 257 | A | B | 0.0000 | |
| 258 | I | B | -1.1576 | |
| 259 | S | B | -1.5609 | |
| 260 | R | B | -2.2896 | |
| 261 | I | B | 0.0000 | |
| 262 | N | B | -2.1642 | |
| 263 | N | B | -2.1192 | |
| 264 | A | B | -1.8481 | |
| 265 | C | B | -1.2242 | |
| 266 | F | B | 0.0000 | |
| 267 | E | B | -1.7566 | |
| 268 | A | B | -1.1871 | |
| 269 | V | B | 0.0000 | |
| 270 | V | B | 0.0000 | |
| 271 | V | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | N | B | -0.5047 | |
| 274 | T | B | 0.0000 | |
| 275 | I | B | -0.0877 | |
| 276 | P | B | -1.1114 | |
| 277 | Q | B | 0.0000 | |
| 278 | E | B | -3.1663 | |
| 279 | D | B | -3.1580 | |
| 280 | K | B | -2.3126 | |
| 281 | M | B | -2.2426 | |
| 282 | K | B | -3.0959 | |
| 283 | H | B | -2.5306 | |
| 284 | C | B | 0.0000 | |
| 285 | S | B | -1.1705 | |
| 286 | K | B | -1.1218 | |
| 287 | I | B | 0.0000 | |
| 288 | Q | B | -0.4943 | |
| 289 | V | B | -0.1354 | |
| 290 | I | B | -0.0022 | |
| 291 | D | B | -0.4992 | |
| 292 | I | B | 0.0000 | |
| 293 | S | B | 0.0000 | |
| 294 | M | B | -0.5817 | |
| 295 | I | B | 0.0000 | |
| 296 | L | B | 0.0000 | |
| 297 | A | B | 0.0000 | |
| 298 | E | B | -0.8402 | |
| 299 | A | B | 0.0000 | |
| 300 | I | B | 0.0000 | |
| 301 | R | B | -2.4116 | |
| 302 | R | B | -2.2794 | |
| 303 | T | B | -1.8059 | |
| 304 | H | B | -2.1540 | |
| 305 | N | B | -2.6902 | |
| 306 | G | B | -2.3652 | |
| 307 | E | B | -2.7932 | |
| 308 | S | B | -1.2639 | |
| 309 | V | B | -0.4756 | |
| 310 | S | B | -0.4431 | |
| 311 | Y | B | 0.4179 | |
| 312 | L | B | 0.0000 | |
| 313 | F | B | 0.2181 | |
| 314 | S | B | -0.1600 | |
| 315 | H | B | -0.4110 | |
| 316 | V | B | 0.2048 | |
| 317 | P | B | 0.0085 |
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 | -0.8559 | 2.0267 | View | CSV | PDB |
| 4.5 | -0.9199 | 1.9812 | View | CSV | PDB |
| 5.0 | -0.9953 | 1.9311 | View | CSV | PDB |
| 5.5 | -1.0684 | 1.8795 | View | CSV | PDB |
| 6.0 | -1.1266 | 1.8274 | View | CSV | PDB |
| 6.5 | -1.1623 | 1.7752 | View | CSV | PDB |
| 7.0 | -1.1768 | 1.7233 | View | CSV | PDB |
| 7.5 | -1.1774 | 1.7052 | View | CSV | PDB |
| 8.0 | -1.1701 | 1.7858 | View | CSV | PDB |
| 8.5 | -1.1556 | 1.8675 | View | CSV | PDB |
| 9.0 | -1.1315 | 1.9488 | 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