| Chain sequence(s) |
A: MKYGIYFAYWEKEWNADQKKYISKVKDLGFDILEISCAMLKNISKNELLEMKKMAEDAGVMLTAGYGPNAKENLGSSDPEVVKNAIAFYTDILKKLEILDIHTIGGGIYSYWPVDYSKPIDKAGDWARSVANVRTVGKIAGECGVEYCLEVLNRFEGYLLNTCAEAKQFVEEVDVPAVKIMLDTFHMNIEEDDMVEAILLAGDRLGHFHVGENNRRLPGKGGMPWYQIGSALRAIGYHKNVVMEPFVRSGGGVGSDIKVWRDLSKGADEQRLDLDAAASVAYLRNVFSGPNSDYTSVLR
B: MKYGIYFAYWEKEWNADQKKYISKVKDLGFDILEISCAMLKNISKNELLEMKKMAEDAGVMLTAGYGPNAKENLGSSDPEVVKNAIAFYTDILKKLEILDIHTIGGGIYSYWPVDYSKPIDKAGDWARSVANVRTVGKIAGECGVEYCLEVLNRFEGYLLNTCAEAKQFVEEVDVPAVKIMLDTFHMNIEEDDMVEAILLAGDRLGHFHVGENNRRLPGKGGMPWYQIGSALRAIGYHKNVVMEPFVRSGGGVGSDIKVWRDLSKGADEQRLDLDAAASVAYLRNVFSGPNSDYTSVLR 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2654171753bd9ef/tmp/folded.pdb (00:10:42)
[INFO] Main: Simulation completed successfully. (00:13:27)
|
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 | -1.2914 | |
| 2 | K | A | -1.5556 | |
| 3 | Y | A | 0.0000 | |
| 4 | G | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | Y | A | 0.0000 | |
| 10 | W | A | -1.1274 | |
| 11 | E | A | -2.1180 | |
| 12 | K | A | -2.8352 | |
| 13 | E | A | -2.4206 | |
| 14 | W | A | -1.6336 | |
| 15 | N | A | -2.0916 | |
| 16 | A | A | -2.1615 | |
| 17 | D | A | -2.5688 | |
| 18 | Q | A | 0.0000 | |
| 19 | K | A | -2.1464 | |
| 20 | K | A | -2.4127 | |
| 21 | Y | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | S | A | -1.7902 | |
| 24 | K | A | -1.8227 | |
| 25 | V | A | 0.0000 | |
| 26 | K | A | -2.0473 | |
| 27 | D | A | -2.4354 | |
| 28 | L | A | -1.0426 | |
| 29 | G | A | -1.1320 | |
| 30 | F | A | 0.0000 | |
| 31 | D | A | -0.9369 | |
| 32 | I | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | E | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | C | A | 0.0000 | |
| 38 | A | A | -0.7593 | |
| 39 | M | A | -1.0033 | |
| 40 | L | A | 0.0000 | |
| 41 | K | A | -1.6299 | |
| 42 | N | A | -1.8985 | |
| 43 | I | A | -1.5470 | |
| 44 | S | A | -2.1220 | |
| 45 | K | A | -2.7652 | |
| 46 | N | A | -2.9105 | |
| 47 | E | A | -3.0523 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | -2.3139 | |
| 50 | E | A | -3.3832 | |
| 51 | M | A | 0.0000 | |
| 52 | K | A | -2.7653 | |
| 53 | K | A | -3.4812 | |
| 54 | M | A | -2.4873 | |
| 55 | A | A | 0.0000 | |
| 56 | E | A | -3.7152 | |
| 57 | D | A | -3.2211 | |
| 58 | A | A | -2.3096 | |
| 59 | G | A | -1.9076 | |
| 60 | V | A | 0.0000 | |
| 61 | M | A | -0.7090 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | -0.4393 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.7618 | |
| 70 | A | A | -1.4733 | |
| 71 | K | A | -2.6393 | |
| 72 | E | A | 0.0000 | |
| 73 | N | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -1.3960 | |
| 77 | S | A | -1.3114 | |
| 78 | D | A | -2.1920 | |
| 79 | P | A | -2.1468 | |
| 80 | E | A | -3.1351 | |
| 81 | V | A | -2.3260 | |
| 82 | V | A | -1.9816 | |
| 83 | K | A | -2.7706 | |
| 84 | N | A | -2.0552 | |
| 85 | A | A | 0.0000 | |
| 86 | I | A | -0.5210 | |
| 87 | A | A | -0.5185 | |
| 88 | F | A | -0.6862 | |
| 89 | Y | A | 0.0000 | |
| 90 | T | A | -0.7138 | |
| 91 | D | A | -1.5362 | |
| 92 | I | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -2.9652 | |
| 95 | K | A | -2.2333 | |
| 96 | L | A | 0.0000 | |
| 97 | E | A | -3.2240 | |
| 98 | I | A | -1.6960 | |
| 99 | L | A | 0.0000 | |
| 100 | D | A | -2.8866 | |
| 101 | I | A | 0.0000 | |
| 102 | H | A | -1.7804 | |
| 103 | T | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | Y | A | -0.6546 | |
| 112 | W | A | -0.4563 | |
| 113 | P | A | -0.4972 | |
| 114 | V | A | 0.0000 | |
| 115 | D | A | -1.4069 | |
| 116 | Y | A | -1.0614 | |
| 117 | S | A | -1.3671 | |
| 118 | K | A | -2.1115 | |
| 119 | P | A | -1.3223 | |
| 120 | I | A | -0.9104 | |
| 121 | D | A | -1.6448 | |
| 122 | K | A | -0.9583 | |
| 123 | A | A | -0.5602 | |
| 124 | G | A | -0.7385 | |
| 125 | D | A | -0.7708 | |
| 126 | W | A | -0.4122 | |
| 127 | A | A | -0.3350 | |
| 128 | R | A | -0.6548 | |
| 129 | S | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | A | A | -0.5772 | |
| 132 | N | A | -0.6202 | |
| 133 | V | A | 0.0000 | |
| 134 | R | A | -1.7508 | |
| 135 | T | A | -0.8309 | |
| 136 | V | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | K | A | -2.4597 | |
| 139 | I | A | -1.4891 | |
| 140 | A | A | 0.0000 | |
| 141 | G | A | -1.9194 | |
| 142 | E | A | -2.7345 | |
| 143 | C | A | -2.4970 | |
| 144 | G | A | -2.2098 | |
| 145 | V | A | 0.0000 | |
| 146 | E | A | -1.0762 | |
| 147 | Y | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | E | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | N | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | T | A | -0.3148 | |
| 163 | C | A | 0.0000 | |
| 164 | A | A | -0.3894 | |
| 165 | E | A | -0.9238 | |
| 166 | A | A | 0.0000 | |
| 167 | K | A | -1.7271 | |
| 168 | Q | A | -2.4600 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | E | A | -3.5339 | |
| 172 | E | A | -2.7560 | |
| 173 | V | A | 0.0000 | |
| 174 | D | A | -3.2547 | |
| 175 | V | A | 0.0000 | |
| 176 | P | A | -1.4548 | |
| 177 | A | A | -1.3591 | |
| 178 | V | A | 0.0000 | |
| 179 | K | A | -1.3235 | |
| 180 | I | A | 0.0000 | |
| 181 | M | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | H | A | 0.0000 | |
| 187 | M | A | 0.0000 | |
| 188 | N | A | -0.6485 | |
| 189 | I | A | 0.0000 | |
| 190 | E | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | D | A | -2.6842 | |
| 193 | D | A | -2.6852 | |
| 194 | M | A | -1.3923 | |
| 195 | V | A | -0.8650 | |
| 196 | E | A | -1.7385 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | L | A | 0.0228 | |
| 200 | L | A | -0.0470 | |
| 201 | A | A | 0.0000 | |
| 202 | G | A | -1.0234 | |
| 203 | D | A | -2.0555 | |
| 204 | R | A | -1.8053 | |
| 205 | L | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | H | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | N | A | -0.9025 | |
| 214 | N | A | 0.0000 | |
| 215 | R | A | 0.0000 | |
| 216 | R | A | -0.9176 | |
| 217 | L | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | G | A | -0.8888 | |
| 220 | K | A | -1.3969 | |
| 221 | G | A | -1.7854 | |
| 222 | G | A | -1.5486 | |
| 223 | M | A | 0.0000 | |
| 224 | P | A | -0.4060 | |
| 225 | W | A | 0.0000 | |
| 226 | Y | A | -0.6695 | |
| 227 | Q | A | -0.9597 | |
| 228 | I | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -0.5536 | |
| 234 | A | A | 0.3581 | |
| 235 | I | A | -0.1666 | |
| 236 | G | A | -1.0534 | |
| 237 | Y | A | 0.0000 | |
| 238 | H | A | -1.7456 | |
| 239 | K | A | -1.7993 | |
| 240 | N | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | E | A | -0.2185 | |
| 245 | P | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -2.1303 | |
| 249 | S | A | -1.4237 | |
| 250 | G | A | -1.5361 | |
| 251 | G | A | -1.6642 | |
| 252 | G | A | -1.4467 | |
| 253 | V | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | S | A | -0.9167 | |
| 256 | D | A | -0.6833 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -0.5000 | |
| 259 | V | A | 0.0000 | |
| 260 | W | A | -0.4361 | |
| 261 | R | A | -1.0654 | |
| 262 | D | A | -1.7691 | |
| 263 | L | A | 0.0000 | |
| 264 | S | A | -1.8984 | |
| 265 | K | A | -2.5157 | |
| 266 | G | A | -2.1457 | |
| 267 | A | A | 0.0000 | |
| 268 | D | A | -2.8673 | |
| 269 | E | A | -3.1747 | |
| 270 | Q | A | -2.7353 | |
| 271 | R | A | -2.6382 | |
| 272 | L | A | 0.0000 | |
| 273 | D | A | -1.2285 | |
| 274 | L | A | 0.2782 | |
| 275 | D | A | -0.5474 | |
| 276 | A | A | 0.0000 | |
| 277 | A | A | -0.0137 | |
| 278 | A | A | 0.2870 | |
| 279 | S | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | A | A | -0.3285 | |
| 282 | Y | A | -0.2609 | |
| 283 | L | A | 0.0000 | |
| 284 | R | A | -1.2683 | |
| 285 | N | A | -1.6589 | |
| 286 | V | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | S | A | -1.1156 | |
| 289 | G | A | -1.2840 | |
| 290 | P | A | -1.3453 | |
| 291 | N | A | -1.8943 | |
| 292 | S | A | 0.0000 | |
| 293 | D | A | -1.4868 | |
| 294 | Y | A | -0.0667 | |
| 295 | T | A | 0.0473 | |
| 296 | S | A | -0.2103 | |
| 297 | V | A | 0.0795 | |
| 298 | L | A | 0.7687 | |
| 299 | R | A | -1.2090 | |
| 1 | M | B | -1.1534 | |
| 2 | K | B | -1.3246 | |
| 3 | Y | B | 0.0000 | |
| 4 | G | B | 0.0000 | |
| 5 | I | B | 0.0000 | |
| 6 | Y | B | 0.0000 | |
| 7 | F | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | Y | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | E | B | -1.9766 | |
| 12 | K | B | -2.8607 | |
| 13 | E | B | -2.5526 | |
| 14 | W | B | -1.6939 | |
| 15 | N | B | -2.1285 | |
| 16 | A | B | -2.1664 | |
| 17 | D | B | -2.5084 | |
| 18 | Q | B | 0.0000 | |
| 19 | K | B | -1.9200 | |
| 20 | K | B | -2.3209 | |
| 21 | Y | B | 0.0000 | |
| 22 | I | B | 0.0000 | |
| 23 | S | B | -1.8382 | |
| 24 | K | B | -1.8606 | |
| 25 | V | B | 0.0000 | |
| 26 | K | B | -2.2663 | |
| 27 | D | B | -2.5384 | |
| 28 | L | B | -1.1621 | |
| 29 | G | B | -1.2113 | |
| 30 | F | B | 0.0000 | |
| 31 | D | B | -1.0259 | |
| 32 | I | B | 0.0000 | |
| 33 | L | B | 0.0000 | |
| 34 | E | B | 0.0000 | |
| 35 | I | B | 0.0000 | |
| 36 | S | B | 0.0000 | |
| 37 | C | B | 0.0000 | |
| 38 | A | B | -0.6424 | |
| 39 | M | B | -0.9335 | |
| 40 | L | B | 0.0000 | |
| 41 | K | B | -1.4276 | |
| 42 | N | B | -1.7935 | |
| 43 | I | B | -1.4820 | |
| 44 | S | B | -2.0357 | |
| 45 | K | B | -2.6479 | |
| 46 | N | B | -2.8059 | |
| 47 | E | B | -2.9167 | |
| 48 | L | B | 0.0000 | |
| 49 | L | B | -2.2114 | |
| 50 | E | B | -3.0613 | |
| 51 | M | B | 0.0000 | |
| 52 | K | B | -2.7373 | |
| 53 | K | B | -3.4390 | |
| 54 | M | B | -2.4740 | |
| 55 | A | B | 0.0000 | |
| 56 | E | B | -3.7307 | |
| 57 | D | B | -3.2626 | |
| 58 | A | B | -2.3677 | |
| 59 | G | B | -1.9933 | |
| 60 | V | B | 0.0000 | |
| 61 | M | B | -0.7718 | |
| 62 | L | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | A | B | 0.0000 | |
| 65 | G | B | 0.0000 | |
| 66 | Y | B | 0.0000 | |
| 67 | G | B | -0.3074 | |
| 68 | P | B | 0.0000 | |
| 69 | N | B | -1.2195 | |
| 70 | A | B | -1.1680 | |
| 71 | K | B | -2.4032 | |
| 72 | E | B | 0.0000 | |
| 73 | N | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | G | B | 0.0000 | |
| 76 | S | B | -1.3681 | |
| 77 | S | B | -1.2914 | |
| 78 | D | B | -2.1619 | |
| 79 | P | B | -2.1254 | |
| 80 | E | B | -3.1439 | |
| 81 | V | B | -2.2763 | |
| 82 | V | B | -1.9541 | |
| 83 | K | B | -2.7368 | |
| 84 | N | B | -2.0003 | |
| 85 | A | B | 0.0000 | |
| 86 | I | B | -0.3329 | |
| 87 | A | B | -0.5098 | |
| 88 | F | B | -0.6387 | |
| 89 | Y | B | 0.0000 | |
| 90 | T | B | -0.7301 | |
| 91 | D | B | -1.5489 | |
| 92 | I | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | K | B | -3.0408 | |
| 95 | K | B | -2.2710 | |
| 96 | L | B | 0.0000 | |
| 97 | E | B | -3.3462 | |
| 98 | I | B | -1.7897 | |
| 99 | L | B | 0.0000 | |
| 100 | D | B | -2.9245 | |
| 101 | I | B | 0.0000 | |
| 102 | H | B | -1.6295 | |
| 103 | T | B | 0.0000 | |
| 104 | I | B | 0.0000 | |
| 105 | G | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | G | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | Y | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | Y | B | -0.4514 | |
| 112 | W | B | -0.2945 | |
| 113 | P | B | -0.3950 | |
| 114 | V | B | 0.0000 | |
| 115 | D | B | -1.3500 | |
| 116 | Y | B | -1.0341 | |
| 117 | S | B | -1.3571 | |
| 118 | K | B | -2.0885 | |
| 119 | P | B | -1.2954 | |
| 120 | I | B | -0.8678 | |
| 121 | D | B | -1.5623 | |
| 122 | K | B | -0.9043 | |
| 123 | A | B | -0.5306 | |
| 124 | G | B | -0.7146 | |
| 125 | D | B | -0.7476 | |
| 126 | W | B | -0.3942 | |
| 127 | A | B | -0.3372 | |
| 128 | R | B | -0.6572 | |
| 129 | S | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | A | B | -0.5788 | |
| 132 | N | B | -0.6258 | |
| 133 | V | B | 0.0000 | |
| 134 | R | B | -1.7505 | |
| 135 | T | B | -0.8247 | |
| 136 | V | B | 0.0000 | |
| 137 | G | B | 0.0000 | |
| 138 | K | B | -2.4295 | |
| 139 | I | B | -1.4697 | |
| 140 | A | B | 0.0000 | |
| 141 | G | B | -1.8973 | |
| 142 | E | B | -2.7427 | |
| 143 | C | B | -2.5070 | |
| 144 | G | B | -2.1810 | |
| 145 | V | B | 0.0000 | |
| 146 | E | B | -1.0424 | |
| 147 | Y | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | E | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | N | B | 0.0000 | |
| 154 | R | B | 0.0000 | |
| 155 | F | B | 0.0000 | |
| 156 | E | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
| 158 | Y | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | T | B | -0.3477 | |
| 163 | C | B | 0.0000 | |
| 164 | A | B | -0.4037 | |
| 165 | E | B | -0.9425 | |
| 166 | A | B | 0.0000 | |
| 167 | K | B | -1.7954 | |
| 168 | Q | B | -2.4776 | |
| 169 | F | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | E | B | -3.5605 | |
| 172 | E | B | -2.7711 | |
| 173 | V | B | 0.0000 | |
| 174 | D | B | -3.2527 | |
| 175 | V | B | 0.0000 | |
| 176 | P | B | -1.4680 | |
| 177 | A | B | -1.3772 | |
| 178 | V | B | 0.0000 | |
| 179 | K | B | -1.3783 | |
| 180 | I | B | 0.0000 | |
| 181 | M | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | D | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | F | B | 0.0000 | |
| 186 | H | B | 0.0000 | |
| 187 | M | B | 0.0000 | |
| 188 | N | B | -0.6758 | |
| 189 | I | B | 0.0000 | |
| 190 | E | B | 0.0000 | |
| 191 | E | B | 0.0000 | |
| 192 | D | B | -2.8774 | |
| 193 | D | B | -2.8287 | |
| 194 | M | B | -1.4668 | |
| 195 | V | B | -0.9491 | |
| 196 | E | B | -1.9204 | |
| 197 | A | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | L | B | -0.0362 | |
| 200 | L | B | -0.0773 | |
| 201 | A | B | 0.0000 | |
| 202 | G | B | -1.0648 | |
| 203 | D | B | -2.0981 | |
| 204 | R | B | -1.9085 | |
| 205 | L | B | 0.0000 | |
| 206 | G | B | 0.0000 | |
| 207 | H | B | 0.0000 | |
| 208 | F | B | 0.0000 | |
| 209 | H | B | 0.0000 | |
| 210 | V | B | 0.0000 | |
| 211 | G | B | 0.0000 | |
| 212 | E | B | 0.0000 | |
| 213 | N | B | -0.8635 | |
| 214 | N | B | 0.0000 | |
| 215 | R | B | 0.0000 | |
| 216 | R | B | -0.8311 | |
| 217 | L | B | 0.0000 | |
| 218 | P | B | 0.0000 | |
| 219 | G | B | -0.7264 | |
| 220 | K | B | -1.3702 | |
| 221 | G | B | -1.6909 | |
| 222 | G | B | -1.4680 | |
| 223 | M | B | 0.0000 | |
| 224 | P | B | -0.3042 | |
| 225 | W | B | 0.0000 | |
| 226 | Y | B | -0.5508 | |
| 227 | Q | B | -0.8705 | |
| 228 | I | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | S | B | 0.0000 | |
| 231 | A | B | 0.0000 | |
| 232 | L | B | 0.0000 | |
| 233 | R | B | -0.3928 | |
| 234 | A | B | 0.3717 | |
| 235 | I | B | -0.1678 | |
| 236 | G | B | -1.0434 | |
| 237 | Y | B | 0.0000 | |
| 238 | H | B | -1.6611 | |
| 239 | K | B | -1.6657 | |
| 240 | N | B | 0.0000 | |
| 241 | V | B | 0.0000 | |
| 242 | V | B | 0.0000 | |
| 243 | M | B | 0.0000 | |
| 244 | E | B | -0.2175 | |
| 245 | P | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | V | B | 0.0000 | |
| 248 | R | B | -2.0500 | |
| 249 | S | B | -1.4641 | |
| 250 | G | B | -1.5996 | |
| 251 | G | B | -1.6690 | |
| 252 | G | B | -1.5107 | |
| 253 | V | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | S | B | -0.9330 | |
| 256 | D | B | -0.7519 | |
| 257 | I | B | 0.0000 | |
| 258 | K | B | -0.4859 | |
| 259 | V | B | 0.0000 | |
| 260 | W | B | -0.6946 | |
| 261 | R | B | -1.3560 | |
| 262 | D | B | -2.3849 | |
| 263 | L | B | -1.4411 | |
| 264 | S | B | -2.0099 | |
| 265 | K | B | -2.6238 | |
| 266 | G | B | -2.2373 | |
| 267 | A | B | -2.4240 | |
| 268 | D | B | -2.8040 | |
| 269 | E | B | -3.1519 | |
| 270 | Q | B | -2.7243 | |
| 271 | R | B | -2.6375 | |
| 272 | L | B | 0.0000 | |
| 273 | D | B | -1.3360 | |
| 274 | L | B | 0.1127 | |
| 275 | D | B | -0.9020 | |
| 276 | A | B | 0.0000 | |
| 277 | A | B | -0.1570 | |
| 278 | A | B | 0.1707 | |
| 279 | S | B | 0.0000 | |
| 280 | V | B | 0.0000 | |
| 281 | A | B | -0.3158 | |
| 282 | Y | B | -0.2345 | |
| 283 | L | B | 0.0000 | |
| 284 | R | B | -1.2424 | |
| 285 | N | B | -1.6553 | |
| 286 | V | B | 0.0000 | |
| 287 | F | B | 0.0000 | |
| 288 | S | B | -1.1034 | |
| 289 | G | B | -1.2714 | |
| 290 | P | B | -1.3362 | |
| 291 | N | B | -1.8649 | |
| 292 | S | B | 0.0000 | |
| 293 | D | B | -1.4777 | |
| 294 | Y | B | -0.0516 | |
| 295 | T | B | 0.0305 | |
| 296 | S | B | -0.2127 | |
| 297 | V | B | 0.0424 | |
| 298 | L | B | 0.6555 | |
| 299 | R | B | -1.2651 |
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 | -0.6531 | 1.4216 | View | CSV | PDB |
| 4.5 | -0.7255 | 1.3857 | View | CSV | PDB |
| 5.0 | -0.8112 | 1.3462 | View | CSV | PDB |
| 5.5 | -0.8971 | 1.3067 | View | CSV | PDB |
| 6.0 | -0.9676 | 1.2697 | View | CSV | PDB |
| 6.5 | -1.0106 | 1.2376 | View | CSV | PDB |
| 7.0 | -1.0254 | 1.2103 | View | CSV | PDB |
| 7.5 | -1.02 | 1.1863 | View | CSV | PDB |
| 8.0 | -1.0007 | 1.1656 | View | CSV | PDB |
| 8.5 | -0.9693 | 1.151 | View | CSV | PDB |
| 9.0 | -0.9252 | 1.1467 | 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