| Chain sequence(s) |
A: MGSSHHHHHHSSGLVPRGSMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS
C: MGSSHHHHHHSSGLVPRGSMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS B: MGSSHHHHHHSSGLVPRGSMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS D: MGSSHHHHHHSSGLVPRGSMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:20)
[INFO] FoldX: Starting FoldX energy minimization (00:00:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6e61004892fb00e/tmp/folded.pdb (00:21:06)
[INFO] Main: Simulation completed successfully. (00:45:50)
|
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 | 0.7458 | |
| 2 | G | A | -0.2564 | |
| 3 | S | A | -0.6905 | |
| 4 | S | A | -1.2416 | |
| 5 | H | A | -2.1173 | |
| 6 | H | A | -2.5066 | |
| 7 | H | A | -2.7068 | |
| 8 | H | A | -2.7359 | |
| 9 | H | A | -2.4817 | |
| 10 | H | A | -2.0839 | |
| 11 | S | A | -1.1890 | |
| 12 | S | A | -0.4903 | |
| 13 | G | A | -0.0073 | |
| 14 | L | A | 0.9809 | |
| 15 | V | A | 1.0323 | |
| 16 | P | A | 0.2648 | |
| 17 | R | A | -0.2843 | |
| 18 | G | A | -0.6811 | |
| 19 | S | A | -0.2957 | |
| 20 | M | A | 0.1388 | |
| 21 | N | A | -0.9959 | |
| 22 | P | A | -0.6972 | |
| 23 | G | A | -0.6722 | |
| 24 | L | A | -0.3464 | |
| 25 | P | A | -0.2117 | |
| 26 | N | A | -0.2348 | |
| 27 | I | A | 0.0000 | |
| 28 | T | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | G | A | 0.0000 | |
| 32 | T | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | S | A | -0.1075 | |
| 40 | G | A | -0.2388 | |
| 41 | S | A | -0.3412 | |
| 42 | S | A | -0.2497 | |
| 43 | S | A | -0.2529 | |
| 44 | T | A | -0.1482 | |
| 45 | A | A | -0.1892 | |
| 46 | T | A | -0.2369 | |
| 47 | T | A | -0.4237 | |
| 48 | G | A | -0.8337 | |
| 49 | Y | A | -0.1539 | |
| 50 | T | A | 0.0258 | |
| 51 | A | A | -0.0129 | |
| 52 | G | A | -0.0911 | |
| 53 | A | A | 0.0584 | |
| 54 | V | A | -0.2154 | |
| 55 | G | A | -0.4584 | |
| 56 | I | A | 0.0000 | |
| 57 | L | A | -0.5096 | |
| 58 | D | A | -2.0019 | |
| 59 | L | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | D | A | -2.3249 | |
| 62 | A | A | -1.2710 | |
| 63 | V | A | 0.0000 | |
| 64 | P | A | -0.8016 | |
| 65 | S | A | -0.5916 | |
| 66 | M | A | 0.0000 | |
| 67 | L | A | -0.4633 | |
| 68 | N | A | -1.0568 | |
| 69 | V | A | -0.3193 | |
| 70 | S | A | 0.0000 | |
| 71 | N | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | Q | A | -0.1897 | |
| 77 | V | A | -0.2190 | |
| 78 | A | A | -0.3859 | |
| 79 | N | A | -0.6291 | |
| 80 | V | A | -0.1637 | |
| 81 | G | A | -0.3251 | |
| 82 | S | A | 0.0000 | |
| 83 | E | A | -0.6494 | |
| 84 | D | A | -0.7108 | |
| 85 | I | A | 0.0000 | |
| 86 | T | A | -0.8202 | |
| 87 | S | A | -1.4575 | |
| 88 | D | A | -2.4342 | |
| 89 | I | A | -0.7222 | |
| 90 | L | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | S | A | -0.9015 | |
| 93 | L | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | K | A | -1.3611 | |
| 96 | S | A | -0.9339 | |
| 97 | I | A | 0.0000 | |
| 98 | N | A | -1.9548 | |
| 99 | K | A | -2.6320 | |
| 100 | L | A | -1.3200 | |
| 101 | V | A | 0.0000 | |
| 102 | C | A | -1.7499 | |
| 103 | D | A | -2.6421 | |
| 104 | D | A | -1.9124 | |
| 105 | S | A | -0.9672 | |
| 106 | T | A | -0.6225 | |
| 107 | M | A | 0.0000 | |
| 108 | A | A | -0.1959 | |
| 109 | G | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | D | A | -0.3396 | |
| 118 | T | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | 0.0000 | |
| 121 | E | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | T | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | N | A | -2.0341 | |
| 132 | C | A | -0.6821 | |
| 133 | G | A | -0.7449 | |
| 134 | K | A | -0.5588 | |
| 135 | P | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | S | A | -0.0573 | |
| 146 | T | A | -0.1622 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -0.1243 | |
| 149 | S | A | -0.0825 | |
| 150 | A | A | 0.0000 | |
| 151 | D | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | P | A | -0.2921 | |
| 154 | F | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | -0.0755 | |
| 165 | S | A | -0.2810 | |
| 166 | P | A | -0.6195 | |
| 167 | K | A | -0.9146 | |
| 168 | A | A | 0.0000 | |
| 169 | V | A | -0.3457 | |
| 170 | N | A | -1.5679 | |
| 171 | R | A | 0.0000 | |
| 172 | G | A | -0.9261 | |
| 173 | A | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | M | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | D | A | 0.0000 | |
| 180 | R | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | Y | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | 0.0000 | |
| 189 | K | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | N | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | N | A | -0.2177 | |
| 194 | T | A | 0.0000 | |
| 195 | M | A | 0.0000 | |
| 196 | D | A | -0.3732 | |
| 197 | T | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | K | A | -0.2016 | |
| 200 | A | A | 0.0000 | |
| 201 | I | A | 0.7135 | |
| 202 | E | A | 0.0000 | |
| 203 | M | A | 0.4560 | |
| 204 | G | A | 0.0000 | |
| 205 | F | A | 0.4414 | |
| 206 | L | A | 0.3432 | |
| 207 | G | A | 0.0000 | |
| 208 | E | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | S | A | -0.1507 | |
| 212 | N | A | 0.0000 | |
| 213 | T | A | -0.0180 | |
| 214 | P | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | Y | A | -0.1555 | |
| 219 | P | A | -0.4674 | |
| 220 | P | A | -0.6186 | |
| 221 | V | A | -0.6208 | |
| 222 | K | A | -1.4943 | |
| 223 | P | A | 0.0000 | |
| 224 | T | A | -0.0447 | |
| 225 | G | A | 0.1642 | |
| 226 | K | A | 0.0000 | |
| 227 | V | A | -0.6243 | |
| 228 | E | A | -2.3698 | |
| 229 | F | A | 0.0000 | |
| 230 | D | A | -2.6651 | |
| 231 | I | A | 0.0000 | |
| 232 | T | A | -1.0141 | |
| 233 | A | A | -1.1889 | |
| 234 | T | A | -1.9415 | |
| 235 | K | A | -2.8644 | |
| 236 | E | A | -2.9971 | |
| 237 | I | A | -1.6865 | |
| 238 | P | A | -1.0884 | |
| 239 | R | A | -0.8904 | |
| 240 | V | A | 0.0000 | |
| 241 | D | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | L | A | 0.1971 | |
| 244 | Y | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | Y | A | 0.0000 | |
| 247 | E | A | 0.0000 | |
| 248 | D | A | -1.1280 | |
| 249 | M | A | -0.7471 | |
| 250 | H | A | -1.0170 | |
| 251 | N | A | -1.4097 | |
| 252 | D | A | -0.8424 | |
| 253 | T | A | -0.6170 | |
| 254 | L | A | 0.0000 | |
| 255 | Y | A | -0.5530 | |
| 256 | S | A | -1.0749 | |
| 257 | A | A | 0.0000 | |
| 258 | V | A | -0.8286 | |
| 259 | E | A | -1.8899 | |
| 260 | N | A | -1.5053 | |
| 261 | G | A | -1.3044 | |
| 262 | A | A | 0.0000 | |
| 263 | Q | A | -1.1837 | |
| 264 | G | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | A | A | -0.2733 | |
| 273 | G | A | 0.0000 | |
| 274 | G | A | -0.4536 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | T | A | -0.6909 | |
| 278 | S | A | -1.0250 | |
| 279 | F | A | 0.0000 | |
| 280 | N | A | -1.1893 | |
| 281 | H | A | -1.6209 | |
| 282 | A | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | E | A | -1.4565 | |
| 285 | D | A | -1.9142 | |
| 286 | V | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | N | A | -2.2220 | |
| 289 | R | A | -2.6072 | |
| 290 | F | A | -1.4211 | |
| 291 | K | A | -2.1917 | |
| 292 | I | A | -1.1463 | |
| 293 | P | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | Q | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | R | A | -0.1963 | |
| 300 | T | A | 0.0000 | |
| 301 | V | A | 0.3423 | |
| 302 | N | A | 0.1481 | |
| 303 | G | A | 0.0000 | |
| 304 | E | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | L | A | -0.6178 | |
| 308 | S | A | -0.9585 | |
| 309 | D | A | -1.2025 | |
| 310 | V | A | 0.0000 | |
| 311 | N | A | -1.3720 | |
| 312 | S | A | -0.7103 | |
| 313 | T | A | -0.3214 | |
| 314 | S | A | -0.6330 | |
| 315 | A | A | 0.0000 | |
| 316 | I | A | 0.1177 | |
| 317 | H | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | N | A | -0.1403 | |
| 325 | P | A | 0.0000 | |
| 326 | Q | A | 0.0000 | |
| 327 | K | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | R | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | G | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | L | A | -0.7201 | |
| 337 | S | A | -1.4911 | |
| 338 | E | A | -2.1264 | |
| 339 | A | A | -1.1176 | |
| 340 | R | A | -1.3406 | |
| 341 | T | A | -0.9655 | |
| 342 | L | A | -0.4127 | |
| 343 | T | A | -0.4404 | |
| 344 | D | A | -1.0291 | |
| 345 | I | A | 0.0000 | |
| 346 | R | A | -0.4580 | |
| 347 | S | A | -0.3110 | |
| 348 | V | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | S | A | 0.3641 | |
| 351 | L | A | 1.1959 | |
| 352 | G | A | 0.5627 | |
| 353 | T | A | 0.0000 | |
| 354 | V | A | 0.3349 | |
| 355 | S | A | 0.1027 | |
| 1 | M | B | 0.7468 | |
| 2 | G | B | -0.2551 | |
| 3 | S | B | -0.6866 | |
| 4 | S | B | -1.2333 | |
| 5 | H | B | -2.1096 | |
| 6 | H | B | -2.4906 | |
| 7 | H | B | -2.6963 | |
| 8 | H | B | -2.7144 | |
| 9 | H | B | -2.4769 | |
| 10 | H | B | -2.0909 | |
| 11 | S | B | -1.2200 | |
| 12 | S | B | -0.5390 | |
| 13 | G | B | -0.0710 | |
| 14 | L | B | 0.9692 | |
| 15 | V | B | 1.0447 | |
| 16 | P | B | 0.2874 | |
| 17 | R | B | -0.2456 | |
| 18 | G | B | -0.6712 | |
| 19 | S | B | -0.3029 | |
| 20 | M | B | 0.1201 | |
| 21 | N | B | -1.0459 | |
| 22 | P | B | -0.7198 | |
| 23 | G | B | -0.6859 | |
| 24 | L | B | -0.3559 | |
| 25 | P | B | -0.2137 | |
| 26 | N | B | -0.2333 | |
| 27 | I | B | 0.0000 | |
| 28 | T | B | 0.0000 | |
| 29 | I | B | 0.0000 | |
| 30 | F | B | 0.0000 | |
| 31 | G | B | 0.0000 | |
| 32 | T | B | 0.0000 | |
| 33 | G | B | 0.0000 | |
| 34 | G | B | 0.0000 | |
| 35 | T | B | 0.0000 | |
| 36 | I | B | 0.0000 | |
| 37 | A | B | 0.0000 | |
| 38 | G | B | 0.0000 | |
| 39 | S | B | -0.1008 | |
| 40 | G | B | -0.2456 | |
| 41 | S | B | -0.3476 | |
| 42 | S | B | -0.2602 | |
| 43 | S | B | -0.2585 | |
| 44 | T | B | -0.1515 | |
| 45 | A | B | -0.1943 | |
| 46 | T | B | -0.2396 | |
| 47 | T | B | -0.4282 | |
| 48 | G | B | -0.8491 | |
| 49 | Y | B | -0.1651 | |
| 50 | T | B | 0.0259 | |
| 51 | A | B | -0.0809 | |
| 52 | G | B | -0.2617 | |
| 53 | A | B | -0.0178 | |
| 54 | V | B | -0.2552 | |
| 55 | G | B | -0.5805 | |
| 56 | I | B | 0.0000 | |
| 57 | L | B | -0.5222 | |
| 58 | D | B | -2.0098 | |
| 59 | L | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | D | B | -2.3220 | |
| 62 | A | B | -1.2680 | |
| 63 | V | B | 0.0000 | |
| 64 | P | B | -0.8021 | |
| 65 | S | B | -0.5911 | |
| 66 | M | B | 0.0000 | |
| 67 | L | B | -0.4642 | |
| 68 | N | B | -1.0616 | |
| 69 | V | B | -0.3196 | |
| 70 | S | B | 0.0000 | |
| 71 | N | B | 0.0000 | |
| 72 | I | B | 0.0000 | |
| 73 | A | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | Q | B | -0.3109 | |
| 77 | V | B | -0.2971 | |
| 78 | A | B | -0.5923 | |
| 79 | N | B | -1.1054 | |
| 80 | V | B | -0.4013 | |
| 81 | G | B | -0.4464 | |
| 82 | S | B | 0.0000 | |
| 83 | E | B | -0.7446 | |
| 84 | D | B | -0.8426 | |
| 85 | I | B | 0.0000 | |
| 86 | T | B | -0.9087 | |
| 87 | S | B | -1.5207 | |
| 88 | D | B | -2.4628 | |
| 89 | I | B | -0.7262 | |
| 90 | L | B | 0.0000 | |
| 91 | I | B | 0.0000 | |
| 92 | S | B | -0.8835 | |
| 93 | L | B | 0.0000 | |
| 94 | S | B | 0.0000 | |
| 95 | K | B | -1.3910 | |
| 96 | S | B | -0.9396 | |
| 97 | I | B | 0.0000 | |
| 98 | N | B | -1.9415 | |
| 99 | K | B | -2.6222 | |
| 100 | L | B | -1.2896 | |
| 101 | V | B | 0.0000 | |
| 102 | C | B | -1.7373 | |
| 103 | D | B | -2.6286 | |
| 104 | D | B | -1.9032 | |
| 105 | S | B | -0.9646 | |
| 106 | T | B | -0.6180 | |
| 107 | M | B | 0.0000 | |
| 108 | A | B | -0.1944 | |
| 109 | G | B | 0.0000 | |
| 110 | A | B | 0.0000 | |
| 111 | V | B | 0.0000 | |
| 112 | I | B | 0.0000 | |
| 113 | T | B | 0.0000 | |
| 114 | H | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | D | B | -0.3559 | |
| 118 | T | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | E | B | 0.0000 | |
| 121 | E | B | 0.0000 | |
| 122 | T | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | F | B | 0.0000 | |
| 125 | F | B | 0.0000 | |
| 126 | L | B | 0.0000 | |
| 127 | D | B | 0.0000 | |
| 128 | A | B | 0.0000 | |
| 129 | T | B | 0.0000 | |
| 130 | I | B | 0.0000 | |
| 131 | N | B | -2.0224 | |
| 132 | C | B | -0.6552 | |
| 133 | G | B | -0.7317 | |
| 134 | K | B | -0.5519 | |
| 135 | P | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | V | B | 0.0000 | |
| 140 | G | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | M | B | 0.0000 | |
| 143 | R | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | S | B | -0.0503 | |
| 146 | T | B | -0.1662 | |
| 147 | A | B | 0.0000 | |
| 148 | T | B | -0.1260 | |
| 149 | S | B | -0.0824 | |
| 150 | A | B | 0.0000 | |
| 151 | D | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | P | B | -0.2914 | |
| 154 | F | B | 0.0000 | |
| 155 | N | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | E | B | 0.0000 | |
| 159 | A | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | T | B | -0.0822 | |
| 162 | V | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | A | B | -0.0865 | |
| 165 | S | B | -0.3116 | |
| 166 | P | B | -0.6627 | |
| 167 | K | B | -1.0093 | |
| 168 | A | B | 0.0000 | |
| 169 | V | B | -0.3674 | |
| 170 | N | B | -1.5140 | |
| 171 | R | B | 0.0000 | |
| 172 | G | B | -0.8628 | |
| 173 | A | B | 0.0000 | |
| 174 | M | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | V | B | 0.0000 | |
| 177 | M | B | 0.0000 | |
| 178 | N | B | 0.0000 | |
| 179 | D | B | 0.0000 | |
| 180 | R | B | 0.0000 | |
| 181 | I | B | 0.0000 | |
| 182 | A | B | 0.0000 | |
| 183 | S | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | Y | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | T | B | 0.0000 | |
| 189 | K | B | 0.0000 | |
| 190 | T | B | 0.0000 | |
| 191 | N | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | N | B | -0.2191 | |
| 194 | T | B | 0.0000 | |
| 195 | M | B | 0.0000 | |
| 196 | D | B | -0.4100 | |
| 197 | T | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | K | B | -0.1438 | |
| 200 | A | B | 0.0000 | |
| 201 | I | B | 0.9214 | |
| 202 | E | B | 0.0000 | |
| 203 | M | B | 0.5942 | |
| 204 | G | B | 0.0000 | |
| 205 | F | B | 0.4961 | |
| 206 | L | B | 0.3547 | |
| 207 | G | B | 0.0000 | |
| 208 | E | B | 0.0000 | |
| 209 | M | B | 0.0000 | |
| 210 | I | B | 0.0000 | |
| 211 | S | B | -0.1491 | |
| 212 | N | B | 0.0000 | |
| 213 | T | B | -0.0170 | |
| 214 | P | B | 0.0000 | |
| 215 | F | B | 0.0000 | |
| 216 | F | B | 0.0000 | |
| 217 | F | B | 0.0000 | |
| 218 | Y | B | -0.0189 | |
| 219 | P | B | -0.3617 | |
| 220 | P | B | -0.5634 | |
| 221 | V | B | -0.4348 | |
| 222 | K | B | -1.1679 | |
| 223 | P | B | 0.0000 | |
| 224 | T | B | 0.0137 | |
| 225 | G | B | 0.1707 | |
| 226 | K | B | -0.4988 | |
| 227 | V | B | -0.6606 | |
| 228 | E | B | -2.4145 | |
| 229 | F | B | 0.0000 | |
| 230 | D | B | -2.6685 | |
| 231 | I | B | 0.0000 | |
| 232 | T | B | -1.0209 | |
| 233 | A | B | -1.1902 | |
| 234 | T | B | -1.9360 | |
| 235 | K | B | -2.8596 | |
| 236 | E | B | -2.9909 | |
| 237 | I | B | -1.7102 | |
| 238 | P | B | -1.1477 | |
| 239 | R | B | -1.0205 | |
| 240 | V | B | 0.0000 | |
| 241 | D | B | 0.0000 | |
| 242 | I | B | 0.0000 | |
| 243 | L | B | 0.1978 | |
| 244 | Y | B | 0.0000 | |
| 245 | A | B | 0.0000 | |
| 246 | Y | B | 0.0000 | |
| 247 | E | B | 0.0000 | |
| 248 | D | B | -0.8605 | |
| 249 | M | B | -0.5690 | |
| 250 | H | B | -0.8979 | |
| 251 | N | B | -1.3382 | |
| 252 | D | B | -0.8189 | |
| 253 | T | B | -0.5979 | |
| 254 | L | B | 0.0000 | |
| 255 | Y | B | -0.5373 | |
| 256 | S | B | -1.0841 | |
| 257 | A | B | 0.0000 | |
| 258 | V | B | -0.8864 | |
| 259 | E | B | -1.9228 | |
| 260 | N | B | -1.5708 | |
| 261 | G | B | -1.4335 | |
| 262 | A | B | 0.0000 | |
| 263 | Q | B | -1.3172 | |
| 264 | G | B | 0.0000 | |
| 265 | I | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | I | B | 0.0000 | |
| 268 | A | B | 0.0000 | |
| 269 | G | B | 0.0000 | |
| 270 | A | B | 0.0000 | |
| 271 | G | B | 0.0000 | |
| 272 | A | B | -0.2518 | |
| 273 | G | B | 0.0000 | |
| 274 | G | B | -0.3618 | |
| 275 | V | B | -0.3132 | |
| 276 | S | B | 0.0000 | |
| 277 | T | B | -0.6256 | |
| 278 | S | B | -0.9683 | |
| 279 | F | B | 0.0000 | |
| 280 | N | B | -1.0566 | |
| 281 | H | B | -1.5339 | |
| 282 | A | B | 0.0000 | |
| 283 | I | B | 0.0000 | |
| 284 | E | B | -1.3475 | |
| 285 | D | B | -1.7684 | |
| 286 | V | B | 0.0000 | |
| 287 | I | B | 0.0000 | |
| 288 | N | B | -2.1309 | |
| 289 | R | B | -2.5453 | |
| 290 | F | B | -1.4110 | |
| 291 | K | B | -2.2291 | |
| 292 | I | B | 0.0000 | |
| 293 | P | B | 0.0000 | |
| 294 | V | B | 0.0000 | |
| 295 | V | B | 0.0000 | |
| 296 | Q | B | 0.0000 | |
| 297 | S | B | 0.0000 | |
| 298 | M | B | 0.0000 | |
| 299 | R | B | -0.1973 | |
| 300 | T | B | 0.0000 | |
| 301 | V | B | 0.3113 | |
| 302 | N | B | 0.1740 | |
| 303 | G | B | 0.0000 | |
| 304 | E | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | P | B | 0.0000 | |
| 307 | L | B | -0.5989 | |
| 308 | S | B | -0.9371 | |
| 309 | D | B | -1.1849 | |
| 310 | V | B | 0.0000 | |
| 311 | N | B | -1.3011 | |
| 312 | S | B | -0.6709 | |
| 313 | T | B | -0.2976 | |
| 314 | S | B | -0.5870 | |
| 315 | A | B | 0.0000 | |
| 316 | I | B | 0.2068 | |
| 317 | H | B | 0.0000 | |
| 318 | I | B | 0.0000 | |
| 319 | A | B | 0.0000 | |
| 320 | S | B | 0.0000 | |
| 321 | G | B | 0.0000 | |
| 322 | Y | B | 0.0000 | |
| 323 | L | B | 0.0000 | |
| 324 | N | B | -0.1421 | |
| 325 | P | B | 0.0000 | |
| 326 | Q | B | 0.0000 | |
| 327 | K | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | R | B | 0.0000 | |
| 330 | I | B | 0.0000 | |
| 331 | L | B | 0.0000 | |
| 332 | L | B | 0.0000 | |
| 333 | G | B | 0.0000 | |
| 334 | L | B | 0.0000 | |
| 335 | L | B | 0.0000 | |
| 336 | L | B | -0.7764 | |
| 337 | S | B | -1.5083 | |
| 338 | E | B | -2.1402 | |
| 339 | A | B | -1.1432 | |
| 340 | R | B | -1.3673 | |
| 341 | T | B | -0.9869 | |
| 342 | L | B | -0.4532 | |
| 343 | T | B | -0.4398 | |
| 344 | D | B | -1.0525 | |
| 345 | I | B | 0.0000 | |
| 346 | R | B | -0.4281 | |
| 347 | S | B | -0.2883 | |
| 348 | V | B | 0.0000 | |
| 349 | F | B | 0.0000 | |
| 350 | S | B | 0.4212 | |
| 351 | L | B | 1.2917 | |
| 352 | G | B | 0.5819 | |
| 353 | T | B | 0.0000 | |
| 354 | V | B | 0.3654 | |
| 355 | S | B | 0.1290 | |
| 1 | M | C | 0.7455 | |
| 2 | G | C | -0.2540 | |
| 3 | S | C | -0.6892 | |
| 4 | S | C | -1.2399 | |
| 5 | H | C | -2.1128 | |
| 6 | H | C | -2.5013 | |
| 7 | H | C | -2.7017 | |
| 8 | H | C | -2.7247 | |
| 9 | H | C | -2.4850 | |
| 10 | H | C | -2.0989 | |
| 11 | S | C | -1.2138 | |
| 12 | S | C | -0.5762 | |
| 13 | G | C | -0.1220 | |
| 14 | L | C | 0.9044 | |
| 15 | V | C | 0.6940 | |
| 16 | P | C | 0.1109 | |
| 17 | R | C | -0.3426 | |
| 18 | G | C | -0.6801 | |
| 19 | S | C | -0.2755 | |
| 20 | M | C | 0.1512 | |
| 21 | N | C | -0.9994 | |
| 22 | P | C | -0.7077 | |
| 23 | G | C | -0.6786 | |
| 24 | L | C | -0.3325 | |
| 25 | P | C | -0.2146 | |
| 26 | N | C | -0.2373 | |
| 27 | I | C | 0.0000 | |
| 28 | T | C | 0.0000 | |
| 29 | I | C | 0.0000 | |
| 30 | F | C | 0.0000 | |
| 31 | G | C | 0.0000 | |
| 32 | T | C | 0.0000 | |
| 33 | G | C | 0.0000 | |
| 34 | G | C | 0.0000 | |
| 35 | T | C | 0.0000 | |
| 36 | I | C | 0.0000 | |
| 37 | A | C | 0.0000 | |
| 38 | G | C | 0.0000 | |
| 39 | S | C | -0.0958 | |
| 40 | G | C | -0.2377 | |
| 41 | S | C | -0.3433 | |
| 42 | S | C | -0.2573 | |
| 43 | S | C | -0.2573 | |
| 44 | T | C | -0.1513 | |
| 45 | A | C | -0.1906 | |
| 46 | T | C | -0.2333 | |
| 47 | T | C | -0.4173 | |
| 48 | G | C | -0.8286 | |
| 49 | Y | C | -0.1448 | |
| 50 | T | C | 0.0336 | |
| 51 | A | C | -0.0772 | |
| 52 | G | C | -0.2548 | |
| 53 | A | C | -0.0083 | |
| 54 | V | C | -0.2638 | |
| 55 | G | C | -0.5947 | |
| 56 | I | C | 0.0000 | |
| 57 | L | C | -0.7185 | |
| 58 | D | C | -2.0735 | |
| 59 | L | C | 0.0000 | |
| 60 | I | C | 0.0000 | |
| 61 | D | C | -2.3465 | |
| 62 | A | C | -1.2897 | |
| 63 | V | C | 0.0000 | |
| 64 | P | C | -0.7722 | |
| 65 | S | C | -0.5480 | |
| 66 | M | C | 0.0000 | |
| 67 | L | C | -0.3237 | |
| 68 | N | C | -0.9933 | |
| 69 | V | C | -0.2794 | |
| 70 | S | C | 0.0000 | |
| 71 | N | C | 0.0000 | |
| 72 | I | C | 0.0000 | |
| 73 | A | C | 0.0000 | |
| 74 | G | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | Q | C | -0.3519 | |
| 77 | V | C | -0.3060 | |
| 78 | A | C | -0.6015 | |
| 79 | N | C | -1.0915 | |
| 80 | V | C | -0.3924 | |
| 81 | G | C | -0.4467 | |
| 82 | S | C | 0.0000 | |
| 83 | E | C | -0.7163 | |
| 84 | D | C | -0.7986 | |
| 85 | I | C | 0.0000 | |
| 86 | T | C | -0.8245 | |
| 87 | S | C | -1.4608 | |
| 88 | D | C | -2.4381 | |
| 89 | I | C | -0.7277 | |
| 90 | L | C | 0.0000 | |
| 91 | I | C | 0.0000 | |
| 92 | S | C | -0.8842 | |
| 93 | L | C | 0.0000 | |
| 94 | S | C | 0.0000 | |
| 95 | K | C | -1.3641 | |
| 96 | S | C | -0.9418 | |
| 97 | I | C | 0.0000 | |
| 98 | N | C | -1.8957 | |
| 99 | K | C | -2.6174 | |
| 100 | L | C | -1.2676 | |
| 101 | V | C | 0.0000 | |
| 102 | C | C | -1.7098 | |
| 103 | D | C | -2.6260 | |
| 104 | D | C | -1.8886 | |
| 105 | S | C | -0.9572 | |
| 106 | T | C | -0.6141 | |
| 107 | M | C | 0.0000 | |
| 108 | A | C | -0.1945 | |
| 109 | G | C | 0.0000 | |
| 110 | A | C | 0.0000 | |
| 111 | V | C | 0.0000 | |
| 112 | I | C | 0.0000 | |
| 113 | T | C | 0.0000 | |
| 114 | H | C | 0.0000 | |
| 115 | G | C | 0.0000 | |
| 116 | T | C | 0.0000 | |
| 117 | D | C | -0.3672 | |
| 118 | T | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | E | C | 0.0000 | |
| 121 | E | C | 0.0000 | |
| 122 | T | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | F | C | 0.0000 | |
| 125 | F | C | 0.0000 | |
| 126 | L | C | 0.0000 | |
| 127 | D | C | 0.0000 | |
| 128 | A | C | 0.0000 | |
| 129 | T | C | 0.0000 | |
| 130 | I | C | -1.1017 | |
| 131 | N | C | -1.8991 | |
| 132 | C | C | -0.6366 | |
| 133 | G | C | -0.7146 | |
| 134 | K | C | -0.5339 | |
| 135 | P | C | 0.0000 | |
| 136 | V | C | 0.0000 | |
| 137 | V | C | 0.0000 | |
| 138 | I | C | 0.0000 | |
| 139 | V | C | 0.0000 | |
| 140 | G | C | 0.0000 | |
| 141 | A | C | 0.0000 | |
| 142 | M | C | 0.0000 | |
| 143 | R | C | 0.0000 | |
| 144 | P | C | 0.0000 | |
| 145 | S | C | -0.0471 | |
| 146 | T | C | -0.1630 | |
| 147 | A | C | 0.0000 | |
| 148 | T | C | -0.1259 | |
| 149 | S | C | -0.0825 | |
| 150 | A | C | 0.0000 | |
| 151 | D | C | 0.0000 | |
| 152 | G | C | 0.0000 | |
| 153 | P | C | -0.2914 | |
| 154 | F | C | 0.0000 | |
| 155 | N | C | 0.0000 | |
| 156 | L | C | 0.0000 | |
| 157 | L | C | 0.0000 | |
| 158 | E | C | 0.0000 | |
| 159 | A | C | 0.0000 | |
| 160 | V | C | 0.0000 | |
| 161 | T | C | 0.0000 | |
| 162 | V | C | 0.0000 | |
| 163 | A | C | 0.0000 | |
| 164 | A | C | -0.0846 | |
| 165 | S | C | -0.3046 | |
| 166 | P | C | -0.6530 | |
| 167 | K | C | -0.9864 | |
| 168 | A | C | 0.0000 | |
| 169 | V | C | -0.3689 | |
| 170 | N | C | -1.5000 | |
| 171 | R | C | 0.0000 | |
| 172 | G | C | -0.8085 | |
| 173 | A | C | 0.0000 | |
| 174 | M | C | 0.0000 | |
| 175 | V | C | 0.0000 | |
| 176 | V | C | 0.0000 | |
| 177 | M | C | 0.0000 | |
| 178 | N | C | 0.0000 | |
| 179 | D | C | 0.0000 | |
| 180 | R | C | 0.0000 | |
| 181 | I | C | 0.0000 | |
| 182 | A | C | 0.0000 | |
| 183 | S | C | 0.0000 | |
| 184 | A | C | 0.0000 | |
| 185 | Y | C | 0.0000 | |
| 186 | Y | C | 0.0000 | |
| 187 | V | C | 0.0000 | |
| 188 | T | C | 0.0000 | |
| 189 | K | C | 0.0000 | |
| 190 | T | C | 0.0000 | |
| 191 | N | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | N | C | -0.2153 | |
| 194 | T | C | 0.0000 | |
| 195 | M | C | 0.0000 | |
| 196 | D | C | -0.3538 | |
| 197 | T | C | 0.0000 | |
| 198 | F | C | 0.0000 | |
| 199 | K | C | -0.0784 | |
| 200 | A | C | 0.0000 | |
| 201 | I | C | 0.9144 | |
| 202 | E | C | 0.0000 | |
| 203 | M | C | 0.5906 | |
| 204 | G | C | 0.0000 | |
| 205 | F | C | 0.5096 | |
| 206 | L | C | 0.3419 | |
| 207 | G | C | 0.0000 | |
| 208 | E | C | 0.0000 | |
| 209 | M | C | 0.0000 | |
| 210 | I | C | 0.0000 | |
| 211 | S | C | -0.1480 | |
| 212 | N | C | 0.0000 | |
| 213 | T | C | -0.0146 | |
| 214 | P | C | 0.0000 | |
| 215 | F | C | 0.0000 | |
| 216 | F | C | 0.0000 | |
| 217 | F | C | 0.0000 | |
| 218 | Y | C | -0.0483 | |
| 219 | P | C | -0.3760 | |
| 220 | P | C | -0.5386 | |
| 221 | V | C | -0.3938 | |
| 222 | K | C | -1.0509 | |
| 223 | P | C | 0.0000 | |
| 224 | T | C | 0.0185 | |
| 225 | G | C | 0.1630 | |
| 226 | K | C | -0.4205 | |
| 227 | V | C | -0.5511 | |
| 228 | E | C | -2.1667 | |
| 229 | F | C | 0.0000 | |
| 230 | D | C | -2.5761 | |
| 231 | I | C | 0.0000 | |
| 232 | T | C | -1.0208 | |
| 233 | A | C | -1.1738 | |
| 234 | T | C | -1.9168 | |
| 235 | K | C | -2.8635 | |
| 236 | E | C | -2.9954 | |
| 237 | I | C | -1.6695 | |
| 238 | P | C | -1.0834 | |
| 239 | R | C | -0.9083 | |
| 240 | V | C | 0.0000 | |
| 241 | D | C | 0.0000 | |
| 242 | I | C | 0.0000 | |
| 243 | L | C | 0.1983 | |
| 244 | Y | C | 0.0000 | |
| 245 | A | C | 0.0000 | |
| 246 | Y | C | 0.0000 | |
| 247 | E | C | 0.0000 | |
| 248 | D | C | -1.8863 | |
| 249 | M | C | -1.1057 | |
| 250 | H | C | -1.1962 | |
| 251 | N | C | -1.1847 | |
| 252 | D | C | -0.6125 | |
| 253 | T | C | -0.5052 | |
| 254 | L | C | 0.0000 | |
| 255 | Y | C | -0.4915 | |
| 256 | S | C | -1.0115 | |
| 257 | A | C | 0.0000 | |
| 258 | V | C | -0.8375 | |
| 259 | E | C | -1.9036 | |
| 260 | N | C | -1.5217 | |
| 261 | G | C | -1.3250 | |
| 262 | A | C | 0.0000 | |
| 263 | Q | C | -1.2256 | |
| 264 | G | C | 0.0000 | |
| 265 | I | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | I | C | 0.0000 | |
| 268 | A | C | 0.0000 | |
| 269 | G | C | 0.0000 | |
| 270 | A | C | 0.0000 | |
| 271 | G | C | 0.0000 | |
| 272 | A | C | -0.2641 | |
| 273 | G | C | 0.0000 | |
| 274 | G | C | -0.4562 | |
| 275 | V | C | 0.0000 | |
| 276 | S | C | 0.0000 | |
| 277 | T | C | -0.6914 | |
| 278 | S | C | -0.9840 | |
| 279 | F | C | 0.0000 | |
| 280 | N | C | -1.1451 | |
| 281 | H | C | -1.5792 | |
| 282 | A | C | 0.0000 | |
| 283 | I | C | 0.0000 | |
| 284 | E | C | -1.4801 | |
| 285 | D | C | -1.9178 | |
| 286 | V | C | 0.0000 | |
| 287 | I | C | 0.0000 | |
| 288 | N | C | -2.2501 | |
| 289 | R | C | -2.5977 | |
| 290 | F | C | -1.4212 | |
| 291 | K | C | -2.2110 | |
| 292 | I | C | -1.1591 | |
| 293 | P | C | 0.0000 | |
| 294 | V | C | 0.0000 | |
| 295 | V | C | 0.0000 | |
| 296 | Q | C | 0.0000 | |
| 297 | S | C | 0.0000 | |
| 298 | M | C | 0.0000 | |
| 299 | R | C | -0.2113 | |
| 300 | T | C | 0.0000 | |
| 301 | V | C | 0.2891 | |
| 302 | N | C | 0.1568 | |
| 303 | G | C | 0.0000 | |
| 304 | E | C | 0.0000 | |
| 305 | V | C | 0.0000 | |
| 306 | P | C | 0.0000 | |
| 307 | L | C | -0.5497 | |
| 308 | S | C | -0.9365 | |
| 309 | D | C | -1.1874 | |
| 310 | V | C | 0.0000 | |
| 311 | N | C | -1.4494 | |
| 312 | S | C | -0.7653 | |
| 313 | T | C | -0.3633 | |
| 314 | S | C | -0.6738 | |
| 315 | A | C | 0.0000 | |
| 316 | I | C | -0.0352 | |
| 317 | H | C | 0.0000 | |
| 318 | I | C | 0.0000 | |
| 319 | A | C | 0.0000 | |
| 320 | S | C | 0.0000 | |
| 321 | G | C | 0.0000 | |
| 322 | Y | C | 0.0000 | |
| 323 | L | C | 0.0000 | |
| 324 | N | C | -0.1511 | |
| 325 | P | C | 0.0000 | |
| 326 | Q | C | 0.0000 | |
| 327 | K | C | 0.0000 | |
| 328 | S | C | 0.0000 | |
| 329 | R | C | 0.0000 | |
| 330 | I | C | 0.0000 | |
| 331 | L | C | 0.0000 | |
| 332 | L | C | 0.0000 | |
| 333 | G | C | 0.0000 | |
| 334 | L | C | 0.0000 | |
| 335 | L | C | 0.0000 | |
| 336 | L | C | -0.6814 | |
| 337 | S | C | -1.4126 | |
| 338 | E | C | -1.9758 | |
| 339 | A | C | -1.0561 | |
| 340 | R | C | -1.3160 | |
| 341 | T | C | -0.9608 | |
| 342 | L | C | -0.4478 | |
| 343 | T | C | -0.4621 | |
| 344 | D | C | -1.0315 | |
| 345 | I | C | 0.0000 | |
| 346 | R | C | -0.4198 | |
| 347 | S | C | -0.2838 | |
| 348 | V | C | 0.0000 | |
| 349 | F | C | 0.0000 | |
| 350 | S | C | 0.3926 | |
| 351 | L | C | 1.1649 | |
| 352 | G | C | 0.5234 | |
| 353 | T | C | 0.0000 | |
| 354 | V | C | 0.3513 | |
| 355 | S | C | 0.1167 | |
| 1 | M | D | 0.7448 | |
| 2 | G | D | -0.2570 | |
| 3 | S | D | -0.6916 | |
| 4 | S | D | -1.2438 | |
| 5 | H | D | -2.1214 | |
| 6 | H | D | -2.5099 | |
| 7 | H | D | -2.7143 | |
| 8 | H | D | -2.7384 | |
| 9 | H | D | -2.4893 | |
| 10 | H | D | -2.0962 | |
| 11 | S | D | -1.2187 | |
| 12 | S | D | -0.5268 | |
| 13 | G | D | -0.0724 | |
| 14 | L | D | 0.9493 | |
| 15 | V | D | 1.0356 | |
| 16 | P | D | 0.2763 | |
| 17 | R | D | -0.2587 | |
| 18 | G | D | -0.6671 | |
| 19 | S | D | -0.2976 | |
| 20 | M | D | 0.1290 | |
| 21 | N | D | -1.0187 | |
| 22 | P | D | -0.7092 | |
| 23 | G | D | -0.6812 | |
| 24 | L | D | -0.3542 | |
| 25 | P | D | -0.2209 | |
| 26 | N | D | -0.2503 | |
| 27 | I | D | 0.0000 | |
| 28 | T | D | 0.0000 | |
| 29 | I | D | 0.0000 | |
| 30 | F | D | 0.0000 | |
| 31 | G | D | 0.0000 | |
| 32 | T | D | 0.0000 | |
| 33 | G | D | 0.0000 | |
| 34 | G | D | 0.0000 | |
| 35 | T | D | 0.0000 | |
| 36 | I | D | 0.0000 | |
| 37 | A | D | 0.0000 | |
| 38 | G | D | 0.0000 | |
| 39 | S | D | -0.0967 | |
| 40 | G | D | -0.2389 | |
| 41 | S | D | -0.3440 | |
| 42 | S | D | -0.2583 | |
| 43 | S | D | -0.2581 | |
| 44 | T | D | -0.1514 | |
| 45 | A | D | -0.1907 | |
| 46 | T | D | -0.2363 | |
| 47 | T | D | -0.4101 | |
| 48 | G | D | -0.8330 | |
| 49 | Y | D | -0.1479 | |
| 50 | T | D | 0.0328 | |
| 51 | A | D | -0.0783 | |
| 52 | G | D | -0.2616 | |
| 53 | A | D | -0.0158 | |
| 54 | V | D | -0.2577 | |
| 55 | G | D | -0.5869 | |
| 56 | I | D | 0.0000 | |
| 57 | L | D | -0.5497 | |
| 58 | D | D | -2.0227 | |
| 59 | L | D | 0.0000 | |
| 60 | I | D | 0.0000 | |
| 61 | D | D | -2.3278 | |
| 62 | A | D | -1.2723 | |
| 63 | V | D | 0.0000 | |
| 64 | P | D | -0.7987 | |
| 65 | S | D | -0.5877 | |
| 66 | M | D | 0.0000 | |
| 67 | L | D | -0.4519 | |
| 68 | N | D | -1.0533 | |
| 69 | V | D | -0.3188 | |
| 70 | S | D | 0.0000 | |
| 71 | N | D | 0.0000 | |
| 72 | I | D | 0.0000 | |
| 73 | A | D | 0.0000 | |
| 74 | G | D | 0.0000 | |
| 75 | V | D | 0.0000 | |
| 76 | Q | D | -0.3248 | |
| 77 | V | D | -0.2983 | |
| 78 | A | D | -0.5963 | |
| 79 | N | D | -1.0987 | |
| 80 | V | D | -0.3940 | |
| 81 | G | D | -0.4468 | |
| 82 | S | D | 0.0000 | |
| 83 | E | D | -0.8628 | |
| 84 | D | D | -0.9794 | |
| 85 | I | D | 0.0000 | |
| 86 | T | D | -1.1686 | |
| 87 | S | D | -1.7032 | |
| 88 | D | D | -2.5521 | |
| 89 | I | D | -0.7242 | |
| 90 | L | D | 0.0000 | |
| 91 | I | D | 0.0000 | |
| 92 | S | D | -0.8794 | |
| 93 | L | D | 0.0000 | |
| 94 | S | D | 0.0000 | |
| 95 | K | D | -1.3659 | |
| 96 | S | D | -0.9400 | |
| 97 | I | D | 0.0000 | |
| 98 | N | D | -1.9095 | |
| 99 | K | D | -2.6266 | |
| 100 | L | D | -1.2944 | |
| 101 | V | D | 0.0000 | |
| 102 | C | D | -1.7164 | |
| 103 | D | D | -2.6302 | |
| 104 | D | D | -1.8895 | |
| 105 | S | D | -0.9569 | |
| 106 | T | D | -0.6170 | |
| 107 | M | D | 0.0000 | |
| 108 | A | D | -0.1987 | |
| 109 | G | D | 0.0000 | |
| 110 | A | D | 0.0000 | |
| 111 | V | D | 0.0000 | |
| 112 | I | D | 0.0000 | |
| 113 | T | D | 0.0000 | |
| 114 | H | D | 0.0000 | |
| 115 | G | D | 0.0000 | |
| 116 | T | D | 0.0000 | |
| 117 | D | D | -0.3672 | |
| 118 | T | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | E | D | 0.0000 | |
| 121 | E | D | 0.0000 | |
| 122 | T | D | 0.0000 | |
| 123 | A | D | 0.0000 | |
| 124 | F | D | 0.0000 | |
| 125 | F | D | 0.0000 | |
| 126 | L | D | 0.0000 | |
| 127 | D | D | 0.0000 | |
| 128 | A | D | 0.0000 | |
| 129 | T | D | 0.0000 | |
| 130 | I | D | -1.1393 | |
| 131 | N | D | -1.9459 | |
| 132 | C | D | -0.6424 | |
| 133 | G | D | -0.7189 | |
| 134 | K | D | -0.5382 | |
| 135 | P | D | 0.0000 | |
| 136 | V | D | 0.0000 | |
| 137 | V | D | 0.0000 | |
| 138 | I | D | 0.0000 | |
| 139 | V | D | 0.0000 | |
| 140 | G | D | 0.0000 | |
| 141 | A | D | 0.0000 | |
| 142 | M | D | 0.0000 | |
| 143 | R | D | 0.0000 | |
| 144 | P | D | 0.0000 | |
| 145 | S | D | -0.0488 | |
| 146 | T | D | -0.1647 | |
| 147 | A | D | 0.0000 | |
| 148 | T | D | -0.1262 | |
| 149 | S | D | -0.0826 | |
| 150 | A | D | 0.0000 | |
| 151 | D | D | 0.0000 | |
| 152 | G | D | 0.0000 | |
| 153 | P | D | -0.2910 | |
| 154 | F | D | 0.0000 | |
| 155 | N | D | 0.0000 | |
| 156 | L | D | 0.0000 | |
| 157 | L | D | 0.0000 | |
| 158 | E | D | 0.0000 | |
| 159 | A | D | 0.0000 | |
| 160 | V | D | 0.0000 | |
| 161 | T | D | 0.0000 | |
| 162 | V | D | 0.0000 | |
| 163 | A | D | 0.0000 | |
| 164 | A | D | -0.0992 | |
| 165 | S | D | -0.3330 | |
| 166 | P | D | -0.6944 | |
| 167 | K | D | -1.0725 | |
| 168 | A | D | 0.0000 | |
| 169 | V | D | -0.3975 | |
| 170 | N | D | -1.6248 | |
| 171 | R | D | 0.0000 | |
| 172 | G | D | -0.9320 | |
| 173 | A | D | 0.0000 | |
| 174 | M | D | 0.0000 | |
| 175 | V | D | 0.0000 | |
| 176 | V | D | 0.0000 | |
| 177 | M | D | 0.0000 | |
| 178 | N | D | 0.0000 | |
| 179 | D | D | 0.0000 | |
| 180 | R | D | 0.0000 | |
| 181 | I | D | 0.0000 | |
| 182 | A | D | 0.0000 | |
| 183 | S | D | 0.0000 | |
| 184 | A | D | 0.0000 | |
| 185 | Y | D | 0.0000 | |
| 186 | Y | D | 0.0000 | |
| 187 | V | D | 0.0000 | |
| 188 | T | D | -0.0862 | |
| 189 | K | D | 0.0000 | |
| 190 | T | D | 0.0000 | |
| 191 | N | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | N | D | -0.2396 | |
| 194 | T | D | 0.0000 | |
| 195 | M | D | 0.0000 | |
| 196 | D | D | -0.5634 | |
| 197 | T | D | 0.0000 | |
| 198 | F | D | 0.0000 | |
| 199 | K | D | -0.4668 | |
| 200 | A | D | 0.0000 | |
| 201 | I | D | 0.5599 | |
| 202 | E | D | 0.0000 | |
| 203 | M | D | 0.4370 | |
| 204 | G | D | 0.0000 | |
| 205 | F | D | 0.0000 | |
| 206 | L | D | 0.2624 | |
| 207 | G | D | 0.0000 | |
| 208 | E | D | 0.0000 | |
| 209 | M | D | 0.0000 | |
| 210 | I | D | 0.0000 | |
| 211 | S | D | -0.1500 | |
| 212 | N | D | 0.0000 | |
| 213 | T | D | -0.0151 | |
| 214 | P | D | 0.0000 | |
| 215 | F | D | 0.0000 | |
| 216 | F | D | 0.0000 | |
| 217 | F | D | 0.0000 | |
| 218 | Y | D | -0.1428 | |
| 219 | P | D | -0.4731 | |
| 220 | P | D | -0.6876 | |
| 221 | V | D | -0.6942 | |
| 222 | K | D | -1.6676 | |
| 223 | P | D | 0.0000 | |
| 224 | T | D | -0.0701 | |
| 225 | G | D | 0.1579 | |
| 226 | K | D | 0.0000 | |
| 227 | V | D | -0.6282 | |
| 228 | E | D | -2.3283 | |
| 229 | F | D | 0.0000 | |
| 230 | D | D | -2.6355 | |
| 231 | I | D | 0.0000 | |
| 232 | T | D | -1.0215 | |
| 233 | A | D | -1.1896 | |
| 234 | T | D | -1.9363 | |
| 235 | K | D | -2.8602 | |
| 236 | E | D | -3.0031 | |
| 237 | I | D | -1.7787 | |
| 238 | P | D | -1.1206 | |
| 239 | R | D | -1.1669 | |
| 240 | V | D | 0.0000 | |
| 241 | D | D | 0.0000 | |
| 242 | I | D | 0.0000 | |
| 243 | L | D | 0.1987 | |
| 244 | Y | D | 0.0000 | |
| 245 | A | D | 0.0000 | |
| 246 | Y | D | 0.0000 | |
| 247 | E | D | 0.0000 | |
| 248 | D | D | -0.8682 | |
| 249 | M | D | -0.6000 | |
| 250 | H | D | -0.8984 | |
| 251 | N | D | -1.3390 | |
| 252 | D | D | -0.8208 | |
| 253 | T | D | -0.5960 | |
| 254 | L | D | 0.0000 | |
| 255 | Y | D | -0.5307 | |
| 256 | S | D | -1.0635 | |
| 257 | A | D | 0.0000 | |
| 258 | V | D | -0.8436 | |
| 259 | E | D | -1.9171 | |
| 260 | N | D | -1.5378 | |
| 261 | G | D | -1.3759 | |
| 262 | A | D | 0.0000 | |
| 263 | Q | D | -1.0802 | |
| 264 | G | D | 0.0000 | |
| 265 | I | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | I | D | 0.0000 | |
| 268 | A | D | 0.0000 | |
| 269 | G | D | 0.0000 | |
| 270 | A | D | 0.0000 | |
| 271 | G | D | 0.0000 | |
| 272 | A | D | -0.2703 | |
| 273 | G | D | 0.0000 | |
| 274 | G | D | -0.4526 | |
| 275 | V | D | 0.0000 | |
| 276 | S | D | 0.0000 | |
| 277 | T | D | -0.6840 | |
| 278 | S | D | -1.0059 | |
| 279 | F | D | 0.0000 | |
| 280 | N | D | -1.1601 | |
| 281 | H | D | -1.5930 | |
| 282 | A | D | 0.0000 | |
| 283 | I | D | 0.0000 | |
| 284 | E | D | -1.4387 | |
| 285 | D | D | -1.8794 | |
| 286 | V | D | 0.0000 | |
| 287 | I | D | 0.0000 | |
| 288 | N | D | -2.2417 | |
| 289 | R | D | -2.6513 | |
| 290 | F | D | -1.5065 | |
| 291 | K | D | -2.2699 | |
| 292 | I | D | 0.0000 | |
| 293 | P | D | 0.0000 | |
| 294 | V | D | 0.0000 | |
| 295 | V | D | 0.0000 | |
| 296 | Q | D | 0.0000 | |
| 297 | S | D | 0.0000 | |
| 298 | M | D | 0.0000 | |
| 299 | R | D | -0.2022 | |
| 300 | T | D | 0.0000 | |
| 301 | V | D | 0.3064 | |
| 302 | N | D | 0.1186 | |
| 303 | G | D | 0.0000 | |
| 304 | E | D | 0.0000 | |
| 305 | V | D | 0.0000 | |
| 306 | P | D | 0.0000 | |
| 307 | L | D | -0.6070 | |
| 308 | S | D | -0.9450 | |
| 309 | D | D | -1.1836 | |
| 310 | V | D | 0.0000 | |
| 311 | N | D | -1.3402 | |
| 312 | S | D | -0.6877 | |
| 313 | T | D | -0.3059 | |
| 314 | S | D | -0.6091 | |
| 315 | A | D | 0.0000 | |
| 316 | I | D | 0.1936 | |
| 317 | H | D | 0.0000 | |
| 318 | I | D | 0.0000 | |
| 319 | A | D | 0.0000 | |
| 320 | S | D | 0.0000 | |
| 321 | G | D | 0.0000 | |
| 322 | Y | D | 0.0000 | |
| 323 | L | D | 0.0000 | |
| 324 | N | D | -0.1453 | |
| 325 | P | D | 0.0000 | |
| 326 | Q | D | 0.0000 | |
| 327 | K | D | 0.0000 | |
| 328 | S | D | 0.0000 | |
| 329 | R | D | 0.0000 | |
| 330 | I | D | 0.0000 | |
| 331 | L | D | 0.0000 | |
| 332 | L | D | 0.0000 | |
| 333 | G | D | 0.0000 | |
| 334 | L | D | 0.0000 | |
| 335 | L | D | 0.0000 | |
| 336 | L | D | -0.7339 | |
| 337 | S | D | -1.5167 | |
| 338 | E | D | -2.1341 | |
| 339 | A | D | -1.1391 | |
| 340 | R | D | -1.3612 | |
| 341 | T | D | -0.9932 | |
| 342 | L | D | -0.4619 | |
| 343 | T | D | -0.4564 | |
| 344 | D | D | -1.0923 | |
| 345 | I | D | 0.0000 | |
| 346 | R | D | -0.4460 | |
| 347 | S | D | -0.3212 | |
| 348 | V | D | 0.0000 | |
| 349 | F | D | 0.0000 | |
| 350 | S | D | 0.3743 | |
| 351 | L | D | 1.2257 | |
| 352 | G | D | 0.5792 | |
| 353 | T | D | 0.0000 | |
| 354 | V | D | 0.3342 | |
| 355 | S | D | 0.1061 |
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 | -0.3497 | 2.2141 | View | CSV | PDB |
| 4.5 | -0.3805 | 2.2141 | View | CSV | PDB |
| 5.0 | -0.4143 | 2.2141 | View | CSV | PDB |
| 5.5 | -0.4437 | 2.2141 | View | CSV | PDB |
| 6.0 | -0.4628 | 2.2141 | View | CSV | PDB |
| 6.5 | -0.4711 | 2.2141 | View | CSV | PDB |
| 7.0 | -0.4742 | 2.2141 | View | CSV | PDB |
| 7.5 | -0.4767 | 2.2141 | View | CSV | PDB |
| 8.0 | -0.4782 | 2.2141 | View | CSV | PDB |
| 8.5 | -0.4764 | 2.2141 | View | CSV | PDB |
| 9.0 | -0.469 | 2.2141 | 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