| Chain sequence(s) |
A: KPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKKEGNHKPETDYL
C: KPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKKEGNHKPETDYL B: KPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKKEGNHKPETDYL input PDB |
| Selected Chain(s) | A,B,C |
| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3c3053fcffe3bc6/tmp/folded.pdb (00:16:22)
[INFO] Main: Simulation completed successfully. (00:23:25)
|
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 |
|---|---|---|---|---|
| 6 | K | A | -2.2025 | |
| 7 | P | A | -1.9522 | |
| 8 | I | A | 0.0000 | |
| 9 | E | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | P | A | -0.8904 | |
| 15 | F | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -1.8547 | |
| 18 | G | A | 0.0000 | |
| 19 | Q | A | 0.0000 | |
| 20 | P | A | -1.7443 | |
| 21 | R | A | -2.2985 | |
| 22 | G | A | -1.7356 | |
| 23 | G | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | E | A | -1.4533 | |
| 26 | K | A | -1.8761 | |
| 27 | G | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | A | A | -1.3234 | |
| 30 | A | A | -1.2588 | |
| 31 | L | A | 0.0000 | |
| 32 | R | A | -1.5108 | |
| 33 | K | A | -1.9869 | |
| 34 | A | A | -1.4244 | |
| 35 | G | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | V | A | -2.4013 | |
| 38 | E | A | -3.3755 | |
| 39 | K | A | -2.8282 | |
| 40 | L | A | 0.0000 | |
| 41 | K | A | -4.2221 | |
| 42 | E | A | -3.8289 | |
| 43 | T | A | -3.0627 | |
| 44 | E | A | -3.2252 | |
| 45 | Y | A | -2.3960 | |
| 46 | N | A | -2.8426 | |
| 47 | V | A | -2.7948 | |
| 48 | R | A | -2.6436 | |
| 49 | D | A | -2.0451 | |
| 50 | H | A | -1.5256 | |
| 51 | G | A | -1.3152 | |
| 52 | D | A | -1.2134 | |
| 53 | L | A | -0.1661 | |
| 54 | A | A | 0.2136 | |
| 55 | F | A | 0.4803 | |
| 56 | V | A | 0.8735 | |
| 57 | D | A | -1.3756 | |
| 58 | V | A | -1.0564 | |
| 59 | P | A | -1.2219 | |
| 60 | N | A | -1.8833 | |
| 61 | D | A | -1.6946 | |
| 62 | S | A | -1.1813 | |
| 63 | P | A | -1.1538 | |
| 64 | F | A | -0.7800 | |
| 65 | Q | A | -0.7314 | |
| 66 | I | A | 0.1706 | |
| 67 | V | A | 0.0000 | |
| 68 | K | A | -1.7640 | |
| 69 | N | A | -1.6481 | |
| 70 | P | A | 0.0000 | |
| 71 | R | A | -1.6563 | |
| 72 | S | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | K | A | -2.0827 | |
| 76 | A | A | 0.0000 | |
| 77 | N | A | 0.0000 | |
| 78 | E | A | -2.3801 | |
| 79 | Q | A | -1.2129 | |
| 80 | L | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | A | A | -1.1705 | |
| 83 | V | A | -0.9330 | |
| 84 | V | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -2.7981 | |
| 87 | T | A | 0.0000 | |
| 88 | Q | A | 0.0000 | |
| 89 | K | A | -3.1837 | |
| 90 | N | A | -2.5594 | |
| 91 | G | A | -1.8738 | |
| 92 | T | A | -1.7579 | |
| 93 | I | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | D | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | S | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | H | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | R | A | -2.4642 | |
| 114 | V | A | -1.9457 | |
| 115 | H | A | -1.5693 | |
| 116 | P | A | -1.5446 | |
| 117 | D | A | -2.2342 | |
| 118 | L | A | 0.0000 | |
| 119 | C | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | H | A | -0.8077 | |
| 127 | T | A | 0.0000 | |
| 128 | D | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | N | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | P | A | 0.0000 | |
| 133 | L | A | 0.9435 | |
| 134 | T | A | 0.5558 | |
| 135 | T | A | 0.0000 | |
| 136 | S | A | -0.1223 | |
| 137 | S | A | -0.1544 | |
| 138 | G | A | 0.0000 | |
| 139 | N | A | -0.9227 | |
| 140 | L | A | 0.0000 | |
| 141 | H | A | -0.3777 | |
| 142 | G | A | -0.2314 | |
| 143 | Q | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | K | A | -2.7012 | |
| 151 | E | A | -2.0500 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -3.2142 | |
| 154 | G | A | -2.3840 | |
| 155 | K | A | -1.9589 | |
| 156 | F | A | -0.9323 | |
| 157 | P | A | -1.2089 | |
| 158 | D | A | -2.1918 | |
| 159 | V | A | 0.0000 | |
| 160 | P | A | -0.9021 | |
| 161 | G | A | -1.2108 | |
| 162 | F | A | 0.0000 | |
| 163 | S | A | -0.8691 | |
| 164 | W | A | -0.3569 | |
| 165 | V | A | -0.0892 | |
| 166 | T | A | -0.6490 | |
| 167 | P | A | -1.1448 | |
| 168 | C | A | -0.8316 | |
| 169 | I | A | 0.0000 | |
| 170 | S | A | -1.2952 | |
| 171 | A | A | 0.0000 | |
| 172 | K | A | -1.9870 | |
| 173 | D | A | -1.4246 | |
| 174 | I | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | R | A | 0.0000 | |
| 181 | D | A | -1.9124 | |
| 182 | V | A | -1.4770 | |
| 183 | D | A | -1.6125 | |
| 184 | P | A | -1.3972 | |
| 185 | G | A | 0.0000 | |
| 186 | E | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | Y | A | -1.0391 | |
| 189 | I | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | K | A | -1.3736 | |
| 192 | T | A | -0.7592 | |
| 193 | L | A | -0.6216 | |
| 194 | G | A | -1.0069 | |
| 195 | I | A | 0.0000 | |
| 196 | K | A | -1.2779 | |
| 197 | Y | A | -0.5535 | |
| 198 | F | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | T | A | -0.9328 | |
| 202 | E | A | -1.2068 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -1.2562 | |
| 205 | K | A | -2.2956 | |
| 206 | L | A | -1.5821 | |
| 207 | G | A | -1.4716 | |
| 208 | I | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | K | A | -2.9961 | |
| 211 | V | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | E | A | -2.9484 | |
| 214 | E | A | -2.4054 | |
| 215 | T | A | 0.0000 | |
| 216 | F | A | -1.2941 | |
| 217 | S | A | -1.7262 | |
| 218 | Y | A | -1.2527 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | G | A | -2.2387 | |
| 222 | R | A | -3.3068 | |
| 223 | K | A | -3.7903 | |
| 224 | K | A | -3.2614 | |
| 225 | R | A | -2.2658 | |
| 226 | P | A | -1.0376 | |
| 227 | I | A | 0.0000 | |
| 228 | H | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | D | A | 0.9240 | |
| 238 | P | A | 1.1035 | |
| 239 | V | A | 1.8272 | |
| 240 | F | A | 0.7132 | |
| 241 | T | A | 0.0000 | |
| 242 | P | A | -0.1596 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | G | A | -0.5806 | |
| 246 | T | A | -0.3494 | |
| 247 | P | A | 0.1520 | |
| 248 | V | A | 0.6861 | |
| 249 | V | A | 1.8011 | |
| 250 | G | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | S | A | 0.1174 | |
| 254 | Y | A | 0.3876 | |
| 255 | R | A | -0.1558 | |
| 256 | E | A | -0.5049 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | E | A | 0.0000 | |
| 263 | E | A | -1.2331 | |
| 264 | I | A | 0.0000 | |
| 265 | Y | A | -0.9098 | |
| 266 | K | A | -1.9071 | |
| 267 | T | A | -1.1656 | |
| 268 | G | A | -0.8913 | |
| 269 | L | A | -0.4845 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | E | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | N | A | 0.0000 | |
| 280 | P | A | -0.4872 | |
| 281 | T | A | -0.7715 | |
| 282 | L | A | -0.5301 | |
| 283 | G | A | -1.3487 | |
| 284 | K | A | -2.0984 | |
| 285 | T | A | -1.7236 | |
| 286 | P | A | -1.6479 | |
| 287 | E | A | -2.5268 | |
| 288 | E | A | -1.6247 | |
| 289 | V | A | -1.1886 | |
| 290 | T | A | -1.3637 | |
| 291 | R | A | -1.3631 | |
| 292 | T | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -1.1442 | |
| 295 | T | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | A | A | -0.2765 | |
| 299 | L | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | L | A | -0.3804 | |
| 302 | S | A | 0.0000 | |
| 303 | C | A | 0.0000 | |
| 304 | F | A | 0.0000 | |
| 305 | G | A | -0.8610 | |
| 306 | T | A | -0.7552 | |
| 307 | K | A | -1.0339 | |
| 308 | K | A | 0.0000 | |
| 309 | E | A | -1.0413 | |
| 310 | G | A | 0.0000 | |
| 311 | N | A | -1.7522 | |
| 312 | H | A | -2.2147 | |
| 313 | K | A | -3.0038 | |
| 314 | P | A | -2.5619 | |
| 315 | E | A | -2.7651 | |
| 316 | T | A | -2.1646 | |
| 317 | D | A | -2.0614 | |
| 318 | Y | A | -0.5103 | |
| 319 | L | A | 0.3187 | |
| 6 | K | B | -2.1910 | |
| 7 | P | B | -1.9416 | |
| 8 | I | B | 0.0000 | |
| 9 | E | B | 0.0000 | |
| 10 | I | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | G | B | 0.0000 | |
| 13 | A | B | 0.0000 | |
| 14 | P | B | -0.8922 | |
| 15 | F | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | K | B | -1.8722 | |
| 18 | G | B | 0.0000 | |
| 19 | Q | B | 0.0000 | |
| 20 | P | B | -1.7276 | |
| 21 | R | B | -2.3105 | |
| 22 | G | B | -1.7414 | |
| 23 | G | B | 0.0000 | |
| 24 | V | B | 0.0000 | |
| 25 | E | B | -1.4402 | |
| 26 | K | B | -1.8466 | |
| 27 | G | B | 0.0000 | |
| 28 | P | B | 0.0000 | |
| 29 | A | B | -1.3238 | |
| 30 | A | B | -1.2603 | |
| 31 | L | B | 0.0000 | |
| 32 | R | B | -1.5329 | |
| 33 | K | B | -2.0024 | |
| 34 | A | B | -1.4521 | |
| 35 | G | B | -1.7615 | |
| 36 | L | B | 0.0000 | |
| 37 | V | B | -2.4449 | |
| 38 | E | B | -3.4218 | |
| 39 | K | B | -2.8961 | |
| 40 | L | B | 0.0000 | |
| 41 | K | B | -4.2564 | |
| 42 | E | B | -3.8473 | |
| 43 | T | B | -3.0716 | |
| 44 | E | B | -3.2061 | |
| 45 | Y | B | -2.3717 | |
| 46 | N | B | -2.8567 | |
| 47 | V | B | -2.9096 | |
| 48 | R | B | -2.7676 | |
| 49 | D | B | -2.2572 | |
| 50 | H | B | -1.8913 | |
| 51 | G | B | -1.5053 | |
| 52 | D | B | -1.3275 | |
| 53 | L | B | -0.2273 | |
| 54 | A | B | 0.2046 | |
| 55 | F | B | 0.4439 | |
| 56 | V | B | 0.8389 | |
| 57 | D | B | -1.4146 | |
| 58 | V | B | -1.1038 | |
| 59 | P | B | -1.2272 | |
| 60 | N | B | -1.8701 | |
| 61 | D | B | -1.6123 | |
| 62 | S | B | -1.1022 | |
| 63 | P | B | -0.9854 | |
| 64 | F | B | -0.6978 | |
| 65 | Q | B | -0.7134 | |
| 66 | I | B | 0.1782 | |
| 67 | V | B | 0.0000 | |
| 68 | K | B | -1.4938 | |
| 69 | N | B | -1.5457 | |
| 70 | P | B | 0.0000 | |
| 71 | R | B | -1.6717 | |
| 72 | S | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | K | B | -2.1886 | |
| 76 | A | B | 0.0000 | |
| 77 | N | B | 0.0000 | |
| 78 | E | B | -2.2950 | |
| 79 | Q | B | -1.1856 | |
| 80 | L | B | 0.0000 | |
| 81 | A | B | 0.0000 | |
| 82 | A | B | -1.1279 | |
| 83 | V | B | -0.9350 | |
| 84 | V | B | 0.0000 | |
| 85 | A | B | 0.0000 | |
| 86 | E | B | -2.7868 | |
| 87 | T | B | 0.0000 | |
| 88 | Q | B | 0.0000 | |
| 89 | K | B | -3.1699 | |
| 90 | N | B | -2.5466 | |
| 91 | G | B | -1.8482 | |
| 92 | T | B | 0.0000 | |
| 93 | I | B | 0.0000 | |
| 94 | S | B | 0.0000 | |
| 95 | V | B | 0.0000 | |
| 96 | V | B | 0.0000 | |
| 97 | L | B | 0.0000 | |
| 98 | G | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | D | B | 0.0000 | |
| 101 | H | B | 0.0000 | |
| 102 | S | B | 0.0000 | |
| 103 | M | B | 0.0000 | |
| 104 | A | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | S | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | S | B | 0.0000 | |
| 110 | G | B | 0.0000 | |
| 111 | H | B | 0.0000 | |
| 112 | A | B | 0.0000 | |
| 113 | R | B | -2.4729 | |
| 114 | V | B | -1.9507 | |
| 115 | H | B | -1.5812 | |
| 116 | P | B | -1.5921 | |
| 117 | D | B | -2.3488 | |
| 118 | L | B | 0.0000 | |
| 119 | C | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | I | B | 0.0000 | |
| 122 | W | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | D | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | H | B | -0.8754 | |
| 127 | T | B | 0.0000 | |
| 128 | D | B | 0.0000 | |
| 129 | I | B | 0.0000 | |
| 130 | N | B | 0.0000 | |
| 131 | T | B | 0.0000 | |
| 132 | P | B | 0.0000 | |
| 133 | L | B | 0.7436 | |
| 134 | T | B | 0.2989 | |
| 135 | T | B | 0.0000 | |
| 136 | S | B | -0.1792 | |
| 137 | S | B | -0.1556 | |
| 138 | G | B | 0.0000 | |
| 139 | N | B | -0.8878 | |
| 140 | L | B | 0.0000 | |
| 141 | H | B | -0.3909 | |
| 142 | G | B | -0.2361 | |
| 143 | Q | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | A | B | 0.0000 | |
| 147 | F | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | K | B | -2.6837 | |
| 151 | E | B | -2.0225 | |
| 152 | L | B | 0.0000 | |
| 153 | K | B | -3.1587 | |
| 154 | G | B | -2.3022 | |
| 155 | K | B | -1.8793 | |
| 156 | F | B | -0.9125 | |
| 157 | P | B | -1.2096 | |
| 158 | D | B | -2.1714 | |
| 159 | V | B | 0.0000 | |
| 160 | P | B | -0.9165 | |
| 161 | G | B | -1.2477 | |
| 162 | F | B | 0.0000 | |
| 163 | S | B | -0.8667 | |
| 164 | W | B | -0.3377 | |
| 165 | V | B | -0.0578 | |
| 166 | T | B | -0.6463 | |
| 167 | P | B | -1.1473 | |
| 168 | C | B | -0.8479 | |
| 169 | I | B | 0.0000 | |
| 170 | S | B | -1.2954 | |
| 171 | A | B | 0.0000 | |
| 172 | K | B | -2.0049 | |
| 173 | D | B | -1.4496 | |
| 174 | I | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | Y | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | G | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | R | B | 0.0000 | |
| 181 | D | B | -2.0907 | |
| 182 | V | B | 0.0000 | |
| 183 | D | B | -1.7573 | |
| 184 | P | B | -1.6483 | |
| 185 | G | B | 0.0000 | |
| 186 | E | B | 0.0000 | |
| 187 | H | B | 0.0000 | |
| 188 | Y | B | -0.9572 | |
| 189 | I | B | 0.0000 | |
| 190 | I | B | 0.0000 | |
| 191 | K | B | -1.2548 | |
| 192 | T | B | -0.5280 | |
| 193 | L | B | -0.6371 | |
| 194 | G | B | -1.0242 | |
| 195 | I | B | 0.0000 | |
| 196 | K | B | -1.3388 | |
| 197 | Y | B | -0.5678 | |
| 198 | F | B | 0.0000 | |
| 199 | S | B | 0.0000 | |
| 200 | M | B | 0.0000 | |
| 201 | T | B | 0.0000 | |
| 202 | E | B | -1.0360 | |
| 203 | V | B | 0.0000 | |
| 204 | D | B | -1.0684 | |
| 205 | K | B | -1.9258 | |
| 206 | L | B | -1.2843 | |
| 207 | G | B | -1.1576 | |
| 208 | I | B | 0.0000 | |
| 209 | G | B | 0.0000 | |
| 210 | K | B | -2.2777 | |
| 211 | V | B | 0.0000 | |
| 212 | M | B | 0.0000 | |
| 213 | E | B | -2.7467 | |
| 214 | E | B | -2.0661 | |
| 215 | T | B | 0.0000 | |
| 216 | F | B | -1.1349 | |
| 217 | S | B | -1.6418 | |
| 218 | Y | B | -1.1924 | |
| 219 | L | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | G | B | -2.1815 | |
| 222 | R | B | -3.2916 | |
| 223 | K | B | -3.8003 | |
| 224 | K | B | -3.2722 | |
| 225 | R | B | -2.3005 | |
| 226 | P | B | -1.0616 | |
| 227 | I | B | 0.0000 | |
| 228 | H | B | 0.0000 | |
| 229 | L | B | 0.0000 | |
| 230 | S | B | 0.0000 | |
| 231 | F | B | 0.0000 | |
| 232 | D | B | 0.0000 | |
| 233 | V | B | 0.0000 | |
| 234 | D | B | 0.0000 | |
| 235 | G | B | 0.0000 | |
| 236 | L | B | 0.0000 | |
| 237 | D | B | 0.6802 | |
| 238 | P | B | 0.8582 | |
| 239 | V | B | 1.5285 | |
| 240 | F | B | 0.5897 | |
| 241 | T | B | 0.0000 | |
| 242 | P | B | -0.2415 | |
| 243 | A | B | 0.0000 | |
| 244 | T | B | 0.0000 | |
| 245 | G | B | -0.5817 | |
| 246 | T | B | -0.3487 | |
| 247 | P | B | -0.0020 | |
| 248 | V | B | 0.3806 | |
| 249 | V | B | 1.1481 | |
| 250 | G | B | 0.0000 | |
| 251 | G | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | S | B | 0.0937 | |
| 254 | Y | B | 0.3810 | |
| 255 | R | B | -0.2739 | |
| 256 | E | B | -0.5137 | |
| 257 | G | B | 0.0000 | |
| 258 | L | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | T | B | 0.0000 | |
| 262 | E | B | 0.0000 | |
| 263 | E | B | -1.1946 | |
| 264 | I | B | 0.0000 | |
| 265 | Y | B | -0.7518 | |
| 266 | K | B | -1.6424 | |
| 267 | T | B | -1.0295 | |
| 268 | G | B | -0.8002 | |
| 269 | L | B | -0.4468 | |
| 270 | L | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | G | B | 0.0000 | |
| 273 | L | B | 0.0000 | |
| 274 | D | B | 0.0000 | |
| 275 | I | B | 0.0000 | |
| 276 | M | B | 0.0000 | |
| 277 | E | B | 0.0000 | |
| 278 | V | B | 0.0000 | |
| 279 | N | B | 0.0000 | |
| 280 | P | B | -0.4828 | |
| 281 | T | B | -0.7656 | |
| 282 | L | B | -0.5315 | |
| 283 | G | B | -1.3661 | |
| 284 | K | B | -2.1041 | |
| 285 | T | B | -1.7431 | |
| 286 | P | B | -1.6715 | |
| 287 | E | B | -2.5701 | |
| 288 | E | B | -1.7159 | |
| 289 | V | B | -1.2326 | |
| 290 | T | B | -1.4231 | |
| 291 | R | B | -1.5011 | |
| 292 | T | B | 0.0000 | |
| 293 | V | B | 0.0000 | |
| 294 | N | B | -1.1920 | |
| 295 | T | B | 0.0000 | |
| 296 | A | B | 0.0000 | |
| 297 | V | B | 0.0000 | |
| 298 | A | B | -0.2820 | |
| 299 | L | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | L | B | -0.3843 | |
| 302 | S | B | 0.0000 | |
| 303 | C | B | 0.0000 | |
| 304 | F | B | 0.0000 | |
| 305 | G | B | -0.7920 | |
| 306 | T | B | -0.7264 | |
| 307 | K | B | -0.9345 | |
| 308 | K | B | 0.0000 | |
| 309 | E | B | -1.0656 | |
| 310 | G | B | 0.0000 | |
| 311 | N | B | -1.8373 | |
| 312 | H | B | -2.2053 | |
| 313 | K | B | -2.9762 | |
| 314 | P | B | -2.4780 | |
| 315 | E | B | -2.7304 | |
| 316 | T | B | -2.1652 | |
| 317 | D | B | -2.0943 | |
| 318 | Y | B | -0.5878 | |
| 319 | L | B | 0.2129 | |
| 6 | K | C | -2.2029 | |
| 7 | P | C | -1.9812 | |
| 8 | I | C | 0.0000 | |
| 9 | E | C | 0.0000 | |
| 10 | I | C | 0.0000 | |
| 11 | I | C | 0.0000 | |
| 12 | G | C | 0.0000 | |
| 13 | A | C | 0.0000 | |
| 14 | P | C | -1.0159 | |
| 15 | F | C | 0.0000 | |
| 16 | S | C | 0.0000 | |
| 17 | K | C | -2.0745 | |
| 18 | G | C | 0.0000 | |
| 19 | Q | C | 0.0000 | |
| 20 | P | C | -1.7878 | |
| 21 | R | C | -2.3195 | |
| 22 | G | C | -1.7731 | |
| 23 | G | C | 0.0000 | |
| 24 | V | C | 0.0000 | |
| 25 | E | C | -1.6921 | |
| 26 | K | C | -1.7181 | |
| 27 | G | C | 0.0000 | |
| 28 | P | C | 0.0000 | |
| 29 | A | C | -1.2844 | |
| 30 | A | C | -1.2175 | |
| 31 | L | C | 0.0000 | |
| 32 | R | C | -1.5502 | |
| 33 | K | C | -2.0048 | |
| 34 | A | C | -1.4474 | |
| 35 | G | C | -1.7514 | |
| 36 | L | C | 0.0000 | |
| 37 | V | C | -2.5003 | |
| 38 | E | C | -3.4177 | |
| 39 | K | C | -2.8687 | |
| 40 | L | C | 0.0000 | |
| 41 | K | C | -4.2876 | |
| 42 | E | C | -3.8495 | |
| 43 | T | C | -3.0845 | |
| 44 | E | C | -3.2338 | |
| 45 | Y | C | -2.4139 | |
| 46 | N | C | -2.9260 | |
| 47 | V | C | -3.0735 | |
| 48 | R | C | -2.9906 | |
| 49 | D | C | -2.4810 | |
| 50 | H | C | -2.0089 | |
| 51 | G | C | -1.5508 | |
| 52 | D | C | -1.3475 | |
| 53 | L | C | -0.1899 | |
| 54 | A | C | 0.2325 | |
| 55 | F | C | 0.4371 | |
| 56 | V | C | 0.8240 | |
| 57 | D | C | -1.4682 | |
| 58 | V | C | -1.1421 | |
| 59 | P | C | -1.2422 | |
| 60 | N | C | -1.9002 | |
| 61 | D | C | -1.7120 | |
| 62 | S | C | -1.1654 | |
| 63 | P | C | -1.0849 | |
| 64 | F | C | -0.7649 | |
| 65 | Q | C | -0.7567 | |
| 66 | I | C | 0.0446 | |
| 67 | V | C | 0.0000 | |
| 68 | K | C | -1.7301 | |
| 69 | N | C | -1.8534 | |
| 70 | P | C | 0.0000 | |
| 71 | R | C | -1.8031 | |
| 72 | S | C | 0.0000 | |
| 73 | V | C | 0.0000 | |
| 74 | G | C | 0.0000 | |
| 75 | K | C | -2.3396 | |
| 76 | A | C | 0.0000 | |
| 77 | N | C | 0.0000 | |
| 78 | E | C | -2.3102 | |
| 79 | Q | C | -1.1653 | |
| 80 | L | C | 0.0000 | |
| 81 | A | C | 0.0000 | |
| 82 | A | C | -1.1310 | |
| 83 | V | C | -0.9802 | |
| 84 | V | C | 0.0000 | |
| 85 | A | C | 0.0000 | |
| 86 | E | C | -2.8095 | |
| 87 | T | C | 0.0000 | |
| 88 | Q | C | 0.0000 | |
| 89 | K | C | -3.1783 | |
| 90 | N | C | -2.5461 | |
| 91 | G | C | -1.8488 | |
| 92 | T | C | 0.0000 | |
| 93 | I | C | 0.0000 | |
| 94 | S | C | 0.0000 | |
| 95 | V | C | 0.0000 | |
| 96 | V | C | 0.0000 | |
| 97 | L | C | 0.0000 | |
| 98 | G | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | D | C | 0.0000 | |
| 101 | H | C | 0.0000 | |
| 102 | S | C | 0.0000 | |
| 103 | M | C | 0.0000 | |
| 104 | A | C | 0.0000 | |
| 105 | I | C | 0.0000 | |
| 106 | G | C | 0.0000 | |
| 107 | S | C | 0.0000 | |
| 108 | I | C | 0.0000 | |
| 109 | S | C | 0.0000 | |
| 110 | G | C | 0.0000 | |
| 111 | H | C | 0.0000 | |
| 112 | A | C | 0.0000 | |
| 113 | R | C | -2.4630 | |
| 114 | V | C | -1.9388 | |
| 115 | H | C | -1.5663 | |
| 116 | P | C | -1.5499 | |
| 117 | D | C | -2.2516 | |
| 118 | L | C | 0.0000 | |
| 119 | C | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | I | C | 0.0000 | |
| 122 | W | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | D | C | 0.0000 | |
| 125 | A | C | 0.0000 | |
| 126 | H | C | -0.8680 | |
| 127 | T | C | 0.0000 | |
| 128 | D | C | 0.0000 | |
| 129 | I | C | 0.0000 | |
| 130 | N | C | 0.0000 | |
| 131 | T | C | 0.0000 | |
| 132 | P | C | 0.0000 | |
| 133 | L | C | 0.7606 | |
| 134 | T | C | 0.4547 | |
| 135 | T | C | 0.0000 | |
| 136 | S | C | -0.1761 | |
| 137 | S | C | -0.1871 | |
| 138 | G | C | 0.0000 | |
| 139 | N | C | -0.9708 | |
| 140 | L | C | 0.0000 | |
| 141 | H | C | -0.4178 | |
| 142 | G | C | -0.2424 | |
| 143 | Q | C | 0.0000 | |
| 144 | P | C | 0.0000 | |
| 145 | V | C | 0.0000 | |
| 146 | A | C | 0.0000 | |
| 147 | F | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | L | C | 0.0000 | |
| 150 | K | C | -2.6814 | |
| 151 | E | C | -2.0254 | |
| 152 | L | C | 0.0000 | |
| 153 | K | C | -3.1435 | |
| 154 | G | C | -2.2769 | |
| 155 | K | C | -1.8150 | |
| 156 | F | C | -0.8912 | |
| 157 | P | C | -1.1912 | |
| 158 | D | C | -2.1639 | |
| 159 | V | C | 0.0000 | |
| 160 | P | C | -0.9563 | |
| 161 | G | C | -1.3035 | |
| 162 | F | C | 0.0000 | |
| 163 | S | C | -0.8729 | |
| 164 | W | C | -0.3396 | |
| 165 | V | C | -0.0434 | |
| 166 | T | C | -0.6414 | |
| 167 | P | C | -1.1457 | |
| 168 | C | C | -0.8349 | |
| 169 | I | C | 0.0000 | |
| 170 | S | C | -1.3016 | |
| 171 | A | C | 0.0000 | |
| 172 | K | C | -2.0036 | |
| 173 | D | C | -1.4212 | |
| 174 | I | C | 0.0000 | |
| 175 | V | C | 0.0000 | |
| 176 | Y | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | G | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | R | C | 0.0000 | |
| 181 | D | C | -2.0687 | |
| 182 | V | C | 0.0000 | |
| 183 | D | C | -1.7022 | |
| 184 | P | C | -1.4494 | |
| 185 | G | C | 0.0000 | |
| 186 | E | C | 0.0000 | |
| 187 | H | C | 0.0000 | |
| 188 | Y | C | -1.0957 | |
| 189 | I | C | 0.0000 | |
| 190 | I | C | 0.0000 | |
| 191 | K | C | -1.4068 | |
| 192 | T | C | -0.7584 | |
| 193 | L | C | -0.6667 | |
| 194 | G | C | -1.0439 | |
| 195 | I | C | 0.0000 | |
| 196 | K | C | -1.3049 | |
| 197 | Y | C | -0.5365 | |
| 198 | F | C | 0.0000 | |
| 199 | S | C | 0.0000 | |
| 200 | M | C | 0.0000 | |
| 201 | T | C | 0.0000 | |
| 202 | E | C | -0.8853 | |
| 203 | V | C | 0.0000 | |
| 204 | D | C | -1.0999 | |
| 205 | K | C | -1.9674 | |
| 206 | L | C | -0.9968 | |
| 207 | G | C | -1.1363 | |
| 208 | I | C | 0.0000 | |
| 209 | G | C | -1.8574 | |
| 210 | K | C | -2.1970 | |
| 211 | V | C | 0.0000 | |
| 212 | M | C | 0.0000 | |
| 213 | E | C | -2.5273 | |
| 214 | E | C | -1.8233 | |
| 215 | T | C | 0.0000 | |
| 216 | F | C | -1.0457 | |
| 217 | S | C | -1.5354 | |
| 218 | Y | C | -1.0941 | |
| 219 | L | C | 0.0000 | |
| 220 | L | C | -1.8406 | |
| 221 | G | C | -2.1095 | |
| 222 | R | C | -3.2555 | |
| 223 | K | C | -3.7429 | |
| 224 | K | C | -3.2066 | |
| 225 | R | C | -2.2300 | |
| 226 | P | C | -1.0196 | |
| 227 | I | C | 0.0000 | |
| 228 | H | C | 0.0000 | |
| 229 | L | C | 0.0000 | |
| 230 | S | C | 0.0000 | |
| 231 | F | C | 0.0000 | |
| 232 | D | C | 0.0000 | |
| 233 | V | C | 0.0000 | |
| 234 | D | C | 0.0000 | |
| 235 | G | C | 0.0000 | |
| 236 | L | C | 0.0000 | |
| 237 | D | C | 0.6686 | |
| 238 | P | C | 0.8476 | |
| 239 | V | C | 1.3814 | |
| 240 | F | C | 0.6515 | |
| 241 | T | C | 0.0000 | |
| 242 | P | C | -0.3430 | |
| 243 | A | C | 0.0000 | |
| 244 | T | C | 0.0000 | |
| 245 | G | C | -0.6030 | |
| 246 | T | C | -0.3671 | |
| 247 | P | C | -0.0169 | |
| 248 | V | C | 0.3832 | |
| 249 | V | C | 1.1927 | |
| 250 | G | C | 0.0000 | |
| 251 | G | C | 0.0000 | |
| 252 | L | C | 0.0000 | |
| 253 | S | C | 0.0864 | |
| 254 | Y | C | 0.4812 | |
| 255 | R | C | -0.0554 | |
| 256 | E | C | -0.5501 | |
| 257 | G | C | 0.0000 | |
| 258 | L | C | 0.0000 | |
| 259 | Y | C | 0.0000 | |
| 260 | I | C | 0.0000 | |
| 261 | T | C | 0.0000 | |
| 262 | E | C | 0.0000 | |
| 263 | E | C | -1.4378 | |
| 264 | I | C | 0.0000 | |
| 265 | Y | C | -0.9157 | |
| 266 | K | C | -1.9152 | |
| 267 | T | C | -1.1571 | |
| 268 | G | C | -0.8950 | |
| 269 | L | C | -0.4679 | |
| 270 | L | C | 0.0000 | |
| 271 | S | C | 0.0000 | |
| 272 | G | C | 0.0000 | |
| 273 | L | C | 0.0000 | |
| 274 | D | C | 0.0000 | |
| 275 | I | C | 0.0000 | |
| 276 | M | C | 0.0000 | |
| 277 | E | C | 0.0000 | |
| 278 | V | C | 0.0000 | |
| 279 | N | C | 0.0000 | |
| 280 | P | C | 0.0000 | |
| 281 | T | C | -0.7210 | |
| 282 | L | C | -0.5020 | |
| 283 | G | C | -1.4022 | |
| 284 | K | C | -2.0892 | |
| 285 | T | C | -1.7962 | |
| 286 | P | C | -1.7477 | |
| 287 | E | C | -2.7406 | |
| 288 | E | C | -1.8907 | |
| 289 | V | C | -1.3824 | |
| 290 | T | C | -1.7077 | |
| 291 | R | C | -2.1287 | |
| 292 | T | C | 0.0000 | |
| 293 | V | C | 0.0000 | |
| 294 | N | C | -1.3898 | |
| 295 | T | C | 0.0000 | |
| 296 | A | C | 0.0000 | |
| 297 | V | C | 0.0000 | |
| 298 | A | C | -0.2768 | |
| 299 | L | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | L | C | -0.3792 | |
| 302 | S | C | 0.0000 | |
| 303 | C | C | 0.0000 | |
| 304 | F | C | 0.0000 | |
| 305 | G | C | -0.8604 | |
| 306 | T | C | -0.7478 | |
| 307 | K | C | -0.9639 | |
| 308 | K | C | 0.0000 | |
| 309 | E | C | -0.9212 | |
| 310 | G | C | 0.0000 | |
| 311 | N | C | -1.8381 | |
| 312 | H | C | -2.2616 | |
| 313 | K | C | -3.0527 | |
| 314 | P | C | -2.5751 | |
| 315 | E | C | -2.7720 | |
| 316 | T | C | -2.1419 | |
| 317 | D | C | -2.0084 | |
| 318 | Y | C | -0.4439 | |
| 319 | L | C | 0.4663 |
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 | -0.6772 | 2.4623 | View | CSV | PDB |
| 4.5 | -0.7242 | 2.427 | View | CSV | PDB |
| 5.0 | -0.7796 | 2.3829 | View | CSV | PDB |
| 5.5 | -0.83 | 2.3338 | View | CSV | PDB |
| 6.0 | -0.8604 | 2.2816 | View | CSV | PDB |
| 6.5 | -0.861 | 2.2277 | View | CSV | PDB |
| 7.0 | -0.8332 | 2.173 | View | CSV | PDB |
| 7.5 | -0.7864 | 2.1185 | View | CSV | PDB |
| 8.0 | -0.7289 | 2.0652 | View | CSV | PDB |
| 8.5 | -0.6641 | 2.0155 | View | CSV | PDB |
| 9.0 | -0.5926 | 1.9742 | 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