| Chain sequence(s) |
A: MLEVCIIGFGFSAIPLVRRELARTQTEFQIISAESGSVWDRLSESGRLDFSLVSSFQTSFYSFDLVRDYEKDYYPTAKQFYEMHERWRSVYEEKIIRDFVTKIENFKDYSLISTRSGKTYEAKHVVLATGFDRLMNTFLSNFDNHVSNKTFVFDTMGDSANLLIAKLIPNNNKIILRTNGFTALDQEVQVLGKPFTLDQLESPNFRYVSSELYDRLMMSPVYPRTVNPAVSYNQFPLIRRDFSWVDSKSSPPNGLIAIRYWPIDQYYYHFNDDLENYISKGYLLNDIAMWLHTGKVILVPSDTPINFDKKTITYAGIERSSFHQYVKGDAEQPRLPTILINGETPFEYLLYRDTFMGVIPQRLNNIYFLGYTRPFTGGLANITEMQSLFIHKLITQQPQFHQKIHQNLSKRITAYNQHYYGAAKPRKHDHTVPFGFYTEDIARLIGIHYQPNECRSVRDLLFYYAFPNNAFKYRLKGEYAVDGVDELIQKVNDKHDHYAQVFVQALSIRNMNSDEAAEEWDHSARRFSFNDMRHKEGYRAFLDTYLKAYRQVENISVDDTVVDEEWNFMVKEACQVRDKVAPNIEEKTHYSKDEDVNKGIRLILSILDSDISSLKFEAQSIEFIRRLLQPKNYELLFIRESW
B: MLEVCIIGFGFSAIPLVRRELARTQTEFQIISAESGSVWDRLSESGRLDFSLVSSFQTSFYSFDLVRDYEKDYYPTAKQFYEMHERWRSVYEEKIIRDFVTKIENFKDYSLISTRSGKTYEAKHVVLATGFDRLMNTFLSNFDNHVSNKTFVFDTMGDSANLLIAKLIPNNNKIILRTNGFTALDQEVQVLGKPFTLDQLESPNFRYVSSELYDRLMMSPVYPRTVNPAVSYNQFPLIRRDFSWVDSKSSPPNGLIAIRYWPIDQYYYHFNDDLENYISKGYLLNDIAMWLHTGKVILVPSDTPINFDKKTITYAGIERSSFHQYVKGDAEQPRLPTILINGETPFEYLLYRDTFMGVIPQRLNNIYFLGYTRPFTGGLANITEMQSLFIHKLITQQPQFHQKIHQNLSKRITAYNQHYYGAAKPRKHDHTVPFGFYTEDIARLIGIHYQPNECRSVRDLLFYYAFPNNAFKYRLKGEYAVDGVDELIQKVNDKHDHYAQVFVQALSIRNMNSDEAAEWDHSARRFSFNDMRHKEGYRAFLDTYLKAYRQVENISVDDTVVDEEWNFMVKEACQVRDKVAPNIEEKTHYSKDEDVNKGIRLILSILDSDISSKFEAQSIEFIRRLLQPKNYELLFIRESW input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:33:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/491874662421ba7/tmp/folded.pdb (00:33:25)
[INFO] Main: Simulation completed successfully. (00:51:28)
|
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 | 0.3349 | |
| 2 | L | A | -0.6265 | |
| 3 | E | A | -1.7039 | |
| 4 | V | A | 0.0000 | |
| 5 | C | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | G | A | -0.2252 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | -0.4233 | |
| 11 | F | A | 0.0000 | |
| 12 | S | A | -0.0387 | |
| 13 | A | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | P | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | V | A | 0.0000 | |
| 18 | R | A | -1.1073 | |
| 19 | E | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -1.8027 | |
| 22 | R | A | -2.3538 | |
| 23 | T | A | -1.8039 | |
| 24 | Q | A | -2.3264 | |
| 25 | T | A | -2.0071 | |
| 26 | E | A | -2.3123 | |
| 27 | F | A | 0.0000 | |
| 28 | Q | A | -0.7320 | |
| 29 | I | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | S | A | -0.4725 | |
| 32 | A | A | -1.1217 | |
| 33 | E | A | -2.0610 | |
| 34 | S | A | -1.5810 | |
| 35 | G | A | -1.5681 | |
| 36 | S | A | -1.0726 | |
| 37 | V | A | -0.8281 | |
| 38 | W | A | -1.1220 | |
| 39 | D | A | -1.8647 | |
| 40 | R | A | -2.7804 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | -2.2027 | |
| 43 | E | A | -2.8102 | |
| 44 | S | A | -2.0067 | |
| 45 | G | A | -2.0024 | |
| 46 | R | A | -1.9629 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | -2.1767 | |
| 49 | F | A | -0.9157 | |
| 50 | S | A | -0.4459 | |
| 51 | L | A | 0.2346 | |
| 52 | V | A | 0.4294 | |
| 53 | S | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | F | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | T | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | Y | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | D | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | V | A | -2.1391 | |
| 66 | R | A | -3.1744 | |
| 67 | D | A | -3.1896 | |
| 68 | Y | A | 0.0000 | |
| 69 | E | A | -3.3718 | |
| 70 | K | A | -2.7737 | |
| 71 | D | A | -1.3771 | |
| 72 | Y | A | -0.4109 | |
| 73 | Y | A | 0.0000 | |
| 74 | P | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | K | A | -2.1538 | |
| 78 | Q | A | -1.6740 | |
| 79 | F | A | -0.9079 | |
| 80 | Y | A | -1.5851 | |
| 81 | E | A | -2.8121 | |
| 82 | M | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | E | A | -2.1577 | |
| 85 | R | A | -2.2875 | |
| 86 | W | A | 0.0000 | |
| 87 | R | A | -1.4455 | |
| 88 | S | A | -0.7609 | |
| 89 | V | A | 0.5206 | |
| 90 | Y | A | -0.5966 | |
| 91 | E | A | -1.3606 | |
| 92 | E | A | -2.0521 | |
| 93 | K | A | -1.4434 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | -0.4960 | |
| 96 | R | A | -1.0158 | |
| 97 | D | A | -1.0920 | |
| 98 | F | A | -0.3829 | |
| 99 | V | A | 0.0000 | |
| 100 | T | A | -0.7532 | |
| 101 | K | A | -0.9193 | |
| 102 | I | A | 0.0000 | |
| 103 | E | A | -1.0655 | |
| 104 | N | A | 0.0000 | |
| 105 | F | A | -1.7645 | |
| 106 | K | A | -2.7813 | |
| 107 | D | A | -2.8280 | |
| 108 | Y | A | -1.7734 | |
| 109 | S | A | 0.0000 | |
| 110 | L | A | -0.2817 | |
| 111 | I | A | 0.0000 | |
| 112 | S | A | -1.2867 | |
| 113 | T | A | 0.0000 | |
| 114 | R | A | -2.2827 | |
| 115 | S | A | -1.7992 | |
| 116 | G | A | -1.9478 | |
| 117 | K | A | -2.3687 | |
| 118 | T | A | -1.3903 | |
| 119 | Y | A | -0.4347 | |
| 120 | E | A | -0.8315 | |
| 121 | A | A | 0.0000 | |
| 122 | K | A | -1.9398 | |
| 123 | H | A | -1.2974 | |
| 124 | V | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -0.4532 | |
| 129 | G | A | -0.8524 | |
| 130 | F | A | -1.4999 | |
| 131 | D | A | -2.6010 | |
| 132 | R | A | -1.8684 | |
| 133 | L | A | -0.3559 | |
| 134 | M | A | 0.0000 | |
| 135 | N | A | -0.6847 | |
| 136 | T | A | -0.3353 | |
| 137 | F | A | -0.2166 | |
| 138 | L | A | -0.2197 | |
| 139 | S | A | -1.0068 | |
| 140 | N | A | -1.6664 | |
| 141 | F | A | 0.0000 | |
| 142 | D | A | -2.3562 | |
| 143 | N | A | -1.6304 | |
| 144 | H | A | -1.5695 | |
| 145 | V | A | -1.0621 | |
| 146 | S | A | -1.3798 | |
| 147 | N | A | -1.6432 | |
| 148 | K | A | -1.4791 | |
| 149 | T | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | D | A | -1.2044 | |
| 154 | T | A | -1.1830 | |
| 155 | M | A | -0.5352 | |
| 156 | G | A | -0.1919 | |
| 157 | D | A | -0.4344 | |
| 158 | S | A | -0.2486 | |
| 159 | A | A | 0.0000 | |
| 160 | N | A | 0.0000 | |
| 161 | L | A | -0.0259 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | K | A | -0.4724 | |
| 166 | L | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | N | A | -1.2184 | |
| 171 | N | A | 0.0000 | |
| 172 | K | A | -0.8625 | |
| 173 | I | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | R | A | -1.0267 | |
| 177 | T | A | 0.0000 | |
| 178 | N | A | -2.3358 | |
| 179 | G | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | T | A | -0.1432 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | Q | A | 0.0000 | |
| 186 | E | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | Q | A | -0.9242 | |
| 189 | V | A | -0.4271 | |
| 190 | L | A | -0.5876 | |
| 191 | G | A | -1.0712 | |
| 192 | K | A | -1.5281 | |
| 193 | P | A | -0.7742 | |
| 194 | F | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | Q | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | N | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | V | A | -1.0557 | |
| 208 | S | A | -1.1025 | |
| 209 | S | A | -1.5052 | |
| 210 | E | A | -2.3602 | |
| 211 | L | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | D | A | -1.3248 | |
| 214 | R | A | -1.3440 | |
| 215 | L | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | P | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | Y | A | -0.4615 | |
| 222 | P | A | -0.2801 | |
| 223 | R | A | -0.7761 | |
| 224 | T | A | 0.0000 | |
| 225 | V | A | 1.2254 | |
| 226 | N | A | 0.1793 | |
| 227 | P | A | -0.3016 | |
| 228 | A | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | Y | A | 0.0000 | |
| 232 | N | A | 0.1625 | |
| 233 | Q | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | P | A | -0.3748 | |
| 236 | L | A | -0.4479 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -1.9811 | |
| 239 | R | A | -2.6875 | |
| 240 | D | A | -2.6028 | |
| 241 | F | A | -1.1281 | |
| 242 | S | A | -0.8161 | |
| 243 | W | A | -0.7150 | |
| 244 | V | A | -0.9732 | |
| 245 | D | A | -2.3029 | |
| 246 | S | A | -1.9334 | |
| 247 | K | A | -2.6177 | |
| 248 | S | A | 0.0000 | |
| 249 | S | A | -0.8353 | |
| 250 | P | A | 0.0000 | |
| 251 | P | A | 0.0000 | |
| 252 | N | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | I | A | 0.8521 | |
| 256 | A | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | R | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | W | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | D | A | 0.0000 | |
| 264 | Q | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | Y | A | 0.6922 | |
| 267 | Y | A | 1.0021 | |
| 268 | H | A | -0.0793 | |
| 269 | F | A | 0.0000 | |
| 270 | N | A | -1.4475 | |
| 271 | D | A | -2.5619 | |
| 272 | D | A | -2.5778 | |
| 273 | L | A | 0.0000 | |
| 274 | E | A | -2.8389 | |
| 275 | N | A | -2.4415 | |
| 276 | Y | A | -1.7153 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | -1.6175 | |
| 279 | K | A | -2.2876 | |
| 280 | G | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | N | A | -0.1886 | |
| 285 | D | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | M | A | 0.0000 | |
| 289 | W | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | H | A | -0.5739 | |
| 292 | T | A | -0.6963 | |
| 293 | G | A | 0.0000 | |
| 294 | K | A | -0.6599 | |
| 295 | V | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | P | A | -1.0093 | |
| 300 | S | A | -1.5262 | |
| 301 | D | A | -2.0953 | |
| 302 | T | A | 0.0000 | |
| 303 | P | A | -0.8020 | |
| 304 | I | A | -0.8463 | |
| 305 | N | A | -1.5347 | |
| 306 | F | A | -0.3008 | |
| 307 | D | A | -2.2568 | |
| 308 | K | A | -2.7703 | |
| 309 | K | A | -2.3592 | |
| 310 | T | A | -1.8548 | |
| 311 | I | A | 0.0000 | |
| 312 | T | A | -0.8941 | |
| 313 | Y | A | -0.4662 | |
| 314 | A | A | -0.5314 | |
| 315 | G | A | -0.5026 | |
| 316 | I | A | -0.8245 | |
| 317 | E | A | -2.2531 | |
| 318 | R | A | -1.4512 | |
| 319 | S | A | -1.6705 | |
| 320 | F | A | 0.0000 | |
| 321 | H | A | -1.2580 | |
| 322 | Q | A | -0.6386 | |
| 323 | Y | A | -0.3424 | |
| 324 | V | A | 0.0000 | |
| 325 | K | A | -1.9803 | |
| 326 | G | A | -1.6082 | |
| 327 | D | A | -2.2696 | |
| 328 | A | A | -1.6901 | |
| 329 | E | A | -2.2212 | |
| 330 | Q | A | -2.4285 | |
| 331 | P | A | -1.4335 | |
| 332 | R | A | -1.4770 | |
| 333 | L | A | -0.6471 | |
| 334 | P | A | -0.1768 | |
| 335 | T | A | -0.6340 | |
| 336 | I | A | 0.0000 | |
| 337 | L | A | -1.2762 | |
| 338 | I | A | -1.5779 | |
| 339 | N | A | -1.8581 | |
| 340 | G | A | -1.5507 | |
| 341 | E | A | -2.1144 | |
| 342 | T | A | -1.3282 | |
| 343 | P | A | -1.0698 | |
| 344 | F | A | -1.1930 | |
| 345 | E | A | -1.7315 | |
| 346 | Y | A | -0.5988 | |
| 347 | L | A | -0.1455 | |
| 348 | Y | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | D | A | -1.2220 | |
| 351 | T | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | M | A | 0.0000 | |
| 354 | G | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | P | A | 0.0000 | |
| 358 | Q | A | -1.6640 | |
| 359 | R | A | -2.4588 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.0906 | |
| 362 | N | A | -1.3314 | |
| 363 | I | A | 0.0000 | |
| 364 | Y | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | G | A | -0.0680 | |
| 368 | Y | A | 0.0000 | |
| 369 | T | A | 0.0000 | |
| 370 | R | A | -0.2806 | |
| 371 | P | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | L | A | 0.3176 | |
| 377 | A | A | 0.0000 | |
| 378 | N | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | E | A | 0.0000 | |
| 382 | M | A | 0.0000 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | K | A | -0.5478 | |
| 390 | L | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | T | A | -0.5695 | |
| 393 | Q | A | -1.0252 | |
| 394 | P | A | -1.4562 | |
| 395 | Q | A | -2.0250 | |
| 396 | F | A | 0.0000 | |
| 397 | H | A | -1.7439 | |
| 398 | Q | A | -2.7351 | |
| 399 | K | A | -2.7732 | |
| 400 | I | A | 0.0000 | |
| 401 | H | A | -2.0107 | |
| 402 | Q | A | -2.4693 | |
| 403 | N | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | S | A | -1.6392 | |
| 406 | K | A | -2.2325 | |
| 407 | R | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | T | A | -1.1160 | |
| 410 | A | A | -0.6627 | |
| 411 | Y | A | 0.0000 | |
| 412 | N | A | -1.2666 | |
| 413 | Q | A | -1.7491 | |
| 414 | H | A | -1.3502 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | G | A | -1.7802 | |
| 418 | A | A | -1.1855 | |
| 419 | A | A | -1.5277 | |
| 420 | K | A | -2.0469 | |
| 421 | P | A | -1.5898 | |
| 422 | R | A | -1.8556 | |
| 423 | K | A | -2.1630 | |
| 424 | H | A | -1.1345 | |
| 425 | D | A | 0.0000 | |
| 426 | H | A | -0.5936 | |
| 427 | T | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | Y | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | D | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | R | A | -0.6090 | |
| 440 | L | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | G | A | -0.7822 | |
| 443 | I | A | 0.0000 | |
| 444 | H | A | -0.7657 | |
| 445 | Y | A | -0.9372 | |
| 446 | Q | A | -1.4721 | |
| 447 | P | A | 0.0000 | |
| 448 | N | A | -2.9123 | |
| 449 | E | A | -3.1486 | |
| 450 | C | A | 0.0000 | |
| 451 | R | A | -3.4483 | |
| 452 | S | A | -2.7636 | |
| 453 | V | A | 0.0000 | |
| 454 | R | A | -1.7654 | |
| 455 | D | A | -2.0382 | |
| 456 | L | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | F | A | -0.1172 | |
| 459 | Y | A | 0.0000 | |
| 460 | Y | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | F | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | N | A | 0.0000 | |
| 465 | N | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | K | A | 0.0000 | |
| 469 | Y | A | 0.0000 | |
| 470 | R | A | 0.0000 | |
| 471 | L | A | -1.5199 | |
| 472 | K | A | -2.2612 | |
| 473 | G | A | -1.6412 | |
| 474 | E | A | -1.3419 | |
| 475 | Y | A | 0.0000 | |
| 476 | A | A | -1.1050 | |
| 477 | V | A | -1.1593 | |
| 478 | D | A | -2.5204 | |
| 479 | G | A | -2.2087 | |
| 480 | V | A | 0.0000 | |
| 481 | D | A | -3.4542 | |
| 482 | E | A | -3.6369 | |
| 483 | L | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | Q | A | -3.2917 | |
| 486 | K | A | -3.3887 | |
| 487 | V | A | 0.0000 | |
| 488 | N | A | 0.0000 | |
| 489 | D | A | -3.3919 | |
| 490 | K | A | -3.3575 | |
| 491 | H | A | 0.0000 | |
| 492 | D | A | -2.2618 | |
| 493 | H | A | -1.7293 | |
| 494 | Y | A | 0.0000 | |
| 495 | A | A | 0.0000 | |
| 496 | Q | A | 0.0000 | |
| 497 | V | A | 0.0000 | |
| 498 | F | A | 0.0000 | |
| 499 | V | A | 0.0000 | |
| 500 | Q | A | 0.0000 | |
| 501 | A | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | S | A | -0.4176 | |
| 504 | I | A | 0.0000 | |
| 505 | R | A | -1.2121 | |
| 506 | N | A | -1.6400 | |
| 507 | M | A | -1.5157 | |
| 508 | N | A | -2.0762 | |
| 509 | S | A | -2.2046 | |
| 510 | D | A | -2.7202 | |
| 511 | E | A | -2.9813 | |
| 512 | A | A | 0.0000 | |
| 513 | A | A | 0.0000 | |
| 514 | E | A | -1.6920 | |
| 515 | W | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
| 517 | H | A | 0.0000 | |
| 518 | S | A | -0.9620 | |
| 519 | A | A | 0.0000 | |
| 520 | R | A | -2.2112 | |
| 521 | R | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | S | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | N | A | 0.0000 | |
| 526 | D | A | 0.0000 | |
| 527 | M | A | 0.0000 | |
| 528 | R | A | -1.1312 | |
| 529 | H | A | -1.1850 | |
| 530 | K | A | 0.0000 | |
| 531 | E | A | -2.3527 | |
| 532 | G | A | -1.7244 | |
| 533 | Y | A | -1.5425 | |
| 534 | R | A | -2.7145 | |
| 535 | A | A | -1.6713 | |
| 536 | F | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | D | A | -2.6467 | |
| 539 | T | A | -1.7754 | |
| 540 | Y | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | K | A | -2.5975 | |
| 543 | A | A | 0.0000 | |
| 544 | Y | A | 0.0000 | |
| 545 | R | A | -1.8810 | |
| 546 | Q | A | -2.2027 | |
| 547 | V | A | -1.3168 | |
| 548 | E | A | -1.3915 | |
| 549 | N | A | -1.7514 | |
| 550 | I | A | -1.3422 | |
| 551 | S | A | -1.4075 | |
| 552 | V | A | -1.6136 | |
| 553 | D | A | -2.0317 | |
| 554 | D | A | -1.1752 | |
| 555 | T | A | 0.1661 | |
| 556 | V | A | 1.4684 | |
| 557 | V | A | 1.3379 | |
| 558 | D | A | -0.7611 | |
| 559 | E | A | -1.7437 | |
| 560 | E | A | -1.8814 | |
| 561 | W | A | 0.0000 | |
| 562 | N | A | -1.7792 | |
| 563 | F | A | -0.3643 | |
| 564 | M | A | 0.0000 | |
| 565 | V | A | -1.3884 | |
| 566 | K | A | -2.1367 | |
| 567 | E | A | -1.6887 | |
| 568 | A | A | -1.0807 | |
| 569 | C | A | 0.0000 | |
| 570 | Q | A | -2.1764 | |
| 571 | V | A | -1.0197 | |
| 572 | R | A | -1.3403 | |
| 573 | D | A | -2.1943 | |
| 574 | K | A | -2.3366 | |
| 575 | V | A | -1.0953 | |
| 576 | A | A | -1.2006 | |
| 577 | P | A | -1.5158 | |
| 578 | N | A | -2.1368 | |
| 579 | I | A | -1.4801 | |
| 580 | E | A | -2.9433 | |
| 581 | E | A | -3.2355 | |
| 582 | K | A | -2.2849 | |
| 583 | T | A | -1.3313 | |
| 584 | H | A | -1.8197 | |
| 585 | Y | A | -1.4911 | |
| 586 | S | A | -1.5559 | |
| 587 | K | A | -1.6840 | |
| 588 | D | A | -2.0258 | |
| 589 | E | A | -2.8216 | |
| 590 | D | A | -2.3843 | |
| 591 | V | A | 0.0000 | |
| 592 | N | A | -2.9680 | |
| 593 | K | A | -3.3612 | |
| 594 | G | A | 0.0000 | |
| 595 | I | A | 0.0000 | |
| 596 | R | A | -2.4391 | |
| 597 | L | A | -1.3146 | |
| 598 | I | A | 0.0000 | |
| 599 | L | A | -0.6862 | |
| 600 | S | A | -0.5441 | |
| 601 | I | A | -0.5151 | |
| 602 | L | A | -1.0190 | |
| 603 | D | A | -2.5054 | |
| 604 | S | A | -1.8781 | |
| 605 | D | A | -2.5879 | |
| 606 | I | A | 0.0000 | |
| 607 | S | A | -1.0565 | |
| 608 | S | A | -0.3020 | |
| 609 | L | A | 0.8489 | |
| 629 | K | A | -1.9583 | |
| 630 | F | A | -1.2285 | |
| 631 | E | A | -1.9424 | |
| 632 | A | A | -1.3812 | |
| 633 | Q | A | -1.6397 | |
| 634 | S | A | 0.0000 | |
| 635 | I | A | -1.4588 | |
| 636 | E | A | -2.2491 | |
| 637 | F | A | 0.0000 | |
| 638 | I | A | 0.0000 | |
| 639 | R | A | -3.0526 | |
| 640 | R | A | -3.5691 | |
| 641 | L | A | 0.0000 | |
| 642 | L | A | -2.7001 | |
| 643 | Q | A | -2.9394 | |
| 644 | P | A | -2.3292 | |
| 645 | K | A | -2.5636 | |
| 646 | N | A | -1.7301 | |
| 647 | Y | A | -1.1346 | |
| 648 | E | A | -1.2583 | |
| 649 | L | A | 0.0000 | |
| 650 | L | A | 0.2888 | |
| 651 | F | A | 0.0000 | |
| 652 | I | A | -0.6200 | |
| 653 | R | A | -2.3568 | |
| 654 | E | A | -3.1603 | |
| 655 | S | A | -1.8696 | |
| 705 | W | A | 0.0000 | |
| 1 | M | B | 0.4114 | |
| 2 | L | B | -0.4964 | |
| 3 | E | B | -1.5296 | |
| 4 | V | B | 0.0000 | |
| 5 | C | B | 0.0000 | |
| 6 | I | B | 0.0000 | |
| 7 | I | B | 0.0000 | |
| 8 | G | B | -0.1672 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | -0.3987 | |
| 11 | F | B | 0.0000 | |
| 12 | S | B | -0.0423 | |
| 13 | A | B | 0.0000 | |
| 14 | I | B | 0.0000 | |
| 15 | P | B | 0.0000 | |
| 16 | L | B | 0.0000 | |
| 17 | V | B | 0.0000 | |
| 18 | R | B | -0.9864 | |
| 19 | E | B | 0.0000 | |
| 20 | L | B | 0.0000 | |
| 21 | A | B | -1.7661 | |
| 22 | R | B | -2.3531 | |
| 23 | T | B | -1.7920 | |
| 24 | Q | B | -2.3073 | |
| 25 | T | B | -1.9753 | |
| 26 | E | B | -2.2382 | |
| 27 | F | B | 0.0000 | |
| 28 | Q | B | -0.6674 | |
| 29 | I | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | S | B | 0.0000 | |
| 32 | A | B | -1.0898 | |
| 33 | E | B | -2.0548 | |
| 34 | S | B | -1.4347 | |
| 35 | G | B | -1.3653 | |
| 36 | S | B | -0.6751 | |
| 37 | V | B | -0.4845 | |
| 38 | W | B | -0.9796 | |
| 39 | D | B | -1.4713 | |
| 40 | R | B | -1.9783 | |
| 41 | L | B | 0.0000 | |
| 42 | S | B | -2.0523 | |
| 43 | E | B | -2.5995 | |
| 44 | S | B | -1.9592 | |
| 45 | G | B | -2.0033 | |
| 46 | R | B | -1.9534 | |
| 47 | L | B | 0.0000 | |
| 48 | D | B | -2.2924 | |
| 49 | F | B | -1.0172 | |
| 50 | S | B | -0.5277 | |
| 51 | L | B | 0.1580 | |
| 52 | V | B | 0.3944 | |
| 53 | S | B | 0.0000 | |
| 54 | S | B | 0.0000 | |
| 55 | F | B | 0.0000 | |
| 56 | Q | B | 0.0000 | |
| 57 | T | B | 0.0000 | |
| 58 | S | B | 0.0000 | |
| 59 | F | B | 0.0410 | |
| 60 | Y | B | 0.0000 | |
| 61 | S | B | 0.0000 | |
| 62 | F | B | 0.0000 | |
| 63 | D | B | -1.0978 | |
| 64 | L | B | 0.0000 | |
| 65 | V | B | -2.2329 | |
| 66 | R | B | -3.0467 | |
| 67 | D | B | -3.2509 | |
| 68 | Y | B | 0.0000 | |
| 69 | E | B | -3.4526 | |
| 70 | K | B | -2.9929 | |
| 71 | D | B | -1.5353 | |
| 72 | Y | B | -0.4992 | |
| 73 | Y | B | 0.0000 | |
| 74 | P | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | A | B | 0.0000 | |
| 77 | K | B | -2.5901 | |
| 78 | Q | B | -1.8850 | |
| 79 | F | B | -0.9969 | |
| 80 | Y | B | -1.6935 | |
| 81 | E | B | -3.0078 | |
| 82 | M | B | 0.0000 | |
| 83 | H | B | 0.0000 | |
| 84 | E | B | -2.3355 | |
| 85 | R | B | -2.6388 | |
| 86 | W | B | 0.0000 | |
| 87 | R | B | -1.7238 | |
| 88 | S | B | -1.2173 | |
| 89 | V | B | -0.2173 | |
| 90 | Y | B | -0.9216 | |
| 91 | E | B | -1.7029 | |
| 92 | E | B | -2.1297 | |
| 93 | K | B | -1.5036 | |
| 94 | I | B | -0.8725 | |
| 95 | I | B | -0.4057 | |
| 96 | R | B | -1.0272 | |
| 97 | D | B | -1.1292 | |
| 98 | F | B | -0.3824 | |
| 99 | V | B | 0.0000 | |
| 100 | T | B | -0.7192 | |
| 101 | K | B | -0.8918 | |
| 102 | I | B | 0.0000 | |
| 103 | E | B | -1.1625 | |
| 104 | N | B | 0.0000 | |
| 105 | F | B | -1.8680 | |
| 106 | K | B | -2.8079 | |
| 107 | D | B | -2.8437 | |
| 108 | Y | B | -1.6984 | |
| 109 | S | B | 0.0000 | |
| 110 | L | B | -0.2994 | |
| 111 | I | B | 0.0000 | |
| 112 | S | B | -1.2684 | |
| 113 | T | B | 0.0000 | |
| 114 | R | B | -2.2521 | |
| 115 | S | B | -1.7579 | |
| 116 | G | B | -1.9160 | |
| 117 | K | B | -2.3416 | |
| 118 | T | B | -1.3641 | |
| 119 | Y | B | -0.4002 | |
| 120 | E | B | -0.8018 | |
| 121 | A | B | 0.0000 | |
| 122 | K | B | -1.5901 | |
| 123 | H | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | V | B | 0.0000 | |
| 126 | L | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | T | B | -0.5429 | |
| 129 | G | B | -0.9051 | |
| 130 | F | B | -1.5428 | |
| 131 | D | B | -2.4424 | |
| 132 | R | B | -1.3205 | |
| 133 | L | B | 0.1222 | |
| 134 | M | B | 0.0000 | |
| 135 | N | B | -0.2938 | |
| 136 | T | B | 0.0165 | |
| 137 | F | B | 0.1024 | |
| 138 | L | B | -0.1077 | |
| 139 | S | B | -0.8280 | |
| 140 | N | B | -1.6436 | |
| 141 | F | B | 0.0000 | |
| 142 | D | B | -2.4093 | |
| 143 | N | B | -1.8102 | |
| 144 | H | B | -1.7761 | |
| 145 | V | B | -1.1623 | |
| 146 | S | B | -1.6389 | |
| 147 | N | B | -2.1449 | |
| 148 | K | B | -1.6361 | |
| 149 | T | B | 0.0000 | |
| 150 | F | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | F | B | 0.0000 | |
| 153 | D | B | -1.2149 | |
| 154 | T | B | -1.2163 | |
| 155 | M | B | -0.6471 | |
| 156 | G | B | -0.5011 | |
| 157 | D | B | -1.0365 | |
| 158 | S | B | -0.5107 | |
| 159 | A | B | 0.0000 | |
| 160 | N | B | 0.0000 | |
| 161 | L | B | -0.1947 | |
| 162 | L | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | A | B | 0.0000 | |
| 165 | K | B | -0.5232 | |
| 166 | L | B | 0.0000 | |
| 167 | I | B | 0.0000 | |
| 168 | P | B | 0.0000 | |
| 169 | N | B | 0.0000 | |
| 170 | N | B | -1.4605 | |
| 171 | N | B | 0.0000 | |
| 172 | K | B | -0.8803 | |
| 173 | I | B | 0.0000 | |
| 174 | I | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | R | B | -1.0443 | |
| 177 | T | B | 0.0000 | |
| 178 | N | B | -2.3520 | |
| 179 | G | B | 0.0000 | |
| 180 | F | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | A | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | 0.0000 | |
| 185 | Q | B | 0.0000 | |
| 186 | E | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | Q | B | -0.8528 | |
| 189 | V | B | -0.4139 | |
| 190 | L | B | -0.4760 | |
| 191 | G | B | -0.9676 | |
| 192 | K | B | -1.7132 | |
| 193 | P | B | -0.8827 | |
| 194 | F | B | 0.0000 | |
| 195 | T | B | 0.0000 | |
| 196 | L | B | 0.0000 | |
| 197 | D | B | 0.0000 | |
| 198 | Q | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | E | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | P | B | 0.0000 | |
| 203 | N | B | 0.0000 | |
| 204 | F | B | 0.0000 | |
| 205 | R | B | 0.0000 | |
| 206 | Y | B | 0.0000 | |
| 207 | V | B | -1.1115 | |
| 208 | S | B | -1.0026 | |
| 209 | S | B | -1.3561 | |
| 210 | E | B | -2.1034 | |
| 211 | L | B | 0.0000 | |
| 212 | Y | B | 0.0000 | |
| 213 | D | B | -1.1933 | |
| 214 | R | B | -1.2191 | |
| 215 | L | B | 0.0000 | |
| 216 | M | B | 0.0000 | |
| 217 | M | B | 0.0000 | |
| 218 | S | B | 0.0000 | |
| 219 | P | B | 0.0000 | |
| 220 | V | B | 0.0000 | |
| 221 | Y | B | -0.4684 | |
| 222 | P | B | -0.3735 | |
| 223 | R | B | -0.5995 | |
| 224 | T | B | 0.0000 | |
| 225 | V | B | 1.3030 | |
| 226 | N | B | 0.1880 | |
| 227 | P | B | -0.3052 | |
| 228 | A | B | 0.0000 | |
| 229 | V | B | 0.0000 | |
| 230 | S | B | 0.0000 | |
| 231 | Y | B | 0.0000 | |
| 232 | N | B | 0.1237 | |
| 233 | Q | B | 0.0000 | |
| 234 | F | B | 0.0000 | |
| 235 | P | B | -0.4020 | |
| 236 | L | B | -0.5014 | |
| 237 | I | B | 0.0000 | |
| 238 | R | B | -2.0046 | |
| 239 | R | B | -2.6656 | |
| 240 | D | B | -2.6069 | |
| 241 | F | B | -1.1533 | |
| 242 | S | B | -0.8523 | |
| 243 | W | B | -0.7702 | |
| 244 | V | B | -1.0235 | |
| 245 | D | B | -2.3297 | |
| 246 | S | B | -1.9412 | |
| 247 | K | B | -2.5722 | |
| 248 | S | B | 0.0000 | |
| 249 | S | B | 0.0000 | |
| 250 | P | B | 0.0000 | |
| 251 | P | B | 0.0000 | |
| 252 | N | B | 0.0000 | |
| 253 | G | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | I | B | 0.5114 | |
| 256 | A | B | 0.2150 | |
| 257 | I | B | 0.0000 | |
| 258 | R | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | W | B | 0.0000 | |
| 261 | P | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | D | B | 0.0000 | |
| 264 | Q | B | 0.0000 | |
| 265 | Y | B | 0.0000 | |
| 266 | Y | B | 0.6109 | |
| 267 | Y | B | 0.9704 | |
| 268 | H | B | -0.0904 | |
| 269 | F | B | 0.0000 | |
| 270 | N | B | -1.4351 | |
| 271 | D | B | -2.5434 | |
| 272 | D | B | -2.5211 | |
| 273 | L | B | 0.0000 | |
| 274 | E | B | -2.9006 | |
| 275 | N | B | -2.5022 | |
| 276 | Y | B | -1.7815 | |
| 277 | I | B | 0.0000 | |
| 278 | S | B | -1.8801 | |
| 279 | K | B | -2.5159 | |
| 280 | G | B | 0.0000 | |
| 281 | Y | B | 0.0000 | |
| 282 | L | B | 0.0000 | |
| 283 | L | B | 0.0000 | |
| 284 | N | B | -0.2578 | |
| 285 | D | B | 0.0000 | |
| 286 | I | B | 0.0000 | |
| 287 | A | B | 0.0000 | |
| 288 | M | B | 0.0000 | |
| 289 | W | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | H | B | -0.6269 | |
| 292 | T | B | -0.6985 | |
| 293 | G | B | 0.0000 | |
| 294 | K | B | -0.5771 | |
| 295 | V | B | 0.0000 | |
| 296 | I | B | 0.0000 | |
| 297 | L | B | 0.0000 | |
| 298 | V | B | 0.0000 | |
| 299 | P | B | -1.0286 | |
| 300 | S | B | -1.5268 | |
| 301 | D | B | -2.1010 | |
| 302 | T | B | 0.0000 | |
| 303 | P | B | -0.7112 | |
| 304 | I | B | -0.6052 | |
| 305 | N | B | -0.9633 | |
| 306 | F | B | -0.0276 | |
| 307 | D | B | -2.0626 | |
| 308 | K | B | -2.5614 | |
| 309 | K | B | -2.1037 | |
| 310 | T | B | -1.6106 | |
| 311 | I | B | 0.0000 | |
| 312 | T | B | -0.8243 | |
| 313 | Y | B | -0.4726 | |
| 314 | A | B | -0.5218 | |
| 315 | G | B | -0.5930 | |
| 316 | I | B | -0.8343 | |
| 317 | E | B | -2.1881 | |
| 318 | R | B | -1.4435 | |
| 319 | S | B | -1.5636 | |
| 320 | F | B | 0.0000 | |
| 321 | H | B | -1.1970 | |
| 322 | Q | B | -0.7536 | |
| 323 | Y | B | -0.4117 | |
| 324 | V | B | 0.0000 | |
| 325 | K | B | -1.9433 | |
| 326 | G | B | -1.4971 | |
| 327 | D | B | -2.1764 | |
| 328 | A | B | -1.6345 | |
| 329 | E | B | -2.0882 | |
| 330 | Q | B | -2.3971 | |
| 331 | P | B | -1.5030 | |
| 332 | R | B | -1.7332 | |
| 333 | L | B | -0.6108 | |
| 334 | P | B | -0.2297 | |
| 335 | T | B | -0.6444 | |
| 336 | I | B | 0.0000 | |
| 337 | L | B | -1.3033 | |
| 338 | I | B | -1.6669 | |
| 339 | N | B | -2.4997 | |
| 340 | G | B | -1.7468 | |
| 341 | E | B | -2.2319 | |
| 342 | T | B | -1.3958 | |
| 343 | P | B | -1.0654 | |
| 344 | F | B | -1.2043 | |
| 345 | E | B | -1.6198 | |
| 346 | Y | B | -0.3425 | |
| 347 | L | B | 0.1008 | |
| 348 | Y | B | 0.0000 | |
| 349 | R | B | 0.0000 | |
| 350 | D | B | -0.5759 | |
| 351 | T | B | 0.0000 | |
| 352 | F | B | 0.0000 | |
| 353 | M | B | 0.0000 | |
| 354 | G | B | 0.0000 | |
| 355 | V | B | 0.0000 | |
| 356 | I | B | 0.0000 | |
| 357 | P | B | 0.0000 | |
| 358 | Q | B | -1.4013 | |
| 359 | R | B | -2.3336 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.9700 | |
| 362 | N | B | 0.0000 | |
| 363 | I | B | 0.0000 | |
| 364 | Y | B | 0.0000 | |
| 365 | F | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | G | B | -0.1260 | |
| 368 | Y | B | 0.0000 | |
| 369 | T | B | 0.0000 | |
| 370 | R | B | -0.6141 | |
| 371 | P | B | -0.1593 | |
| 372 | F | B | 0.0000 | |
| 373 | T | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | G | B | 0.0000 | |
| 376 | L | B | 0.2238 | |
| 377 | A | B | 0.0000 | |
| 378 | N | B | 0.0000 | |
| 379 | I | B | 0.0000 | |
| 380 | T | B | 0.0000 | |
| 381 | E | B | 0.0000 | |
| 382 | M | B | 0.0000 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | F | B | 0.0000 | |
| 387 | I | B | 0.0000 | |
| 388 | H | B | 0.0000 | |
| 389 | K | B | -0.4234 | |
| 390 | L | B | 0.0000 | |
| 391 | I | B | 0.0000 | |
| 392 | T | B | -0.5245 | |
| 393 | Q | B | -0.9635 | |
| 394 | P | B | -1.4207 | |
| 395 | Q | B | -2.0278 | |
| 396 | F | B | 0.0000 | |
| 397 | H | B | 0.0000 | |
| 398 | Q | B | -2.7517 | |
| 399 | K | B | -2.8980 | |
| 400 | I | B | 0.0000 | |
| 401 | H | B | -2.0042 | |
| 402 | Q | B | -2.5387 | |
| 403 | N | B | -2.3251 | |
| 404 | L | B | 0.0000 | |
| 405 | S | B | -1.5722 | |
| 406 | K | B | -2.2799 | |
| 407 | R | B | 0.0000 | |
| 408 | I | B | 0.0000 | |
| 409 | T | B | -1.0386 | |
| 410 | A | B | -0.6407 | |
| 411 | Y | B | 0.0000 | |
| 412 | N | B | -1.1421 | |
| 413 | Q | B | -1.7229 | |
| 414 | H | B | -1.3341 | |
| 415 | Y | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | G | B | -1.7582 | |
| 418 | A | B | -1.1444 | |
| 419 | A | B | -1.5489 | |
| 420 | K | B | -2.0757 | |
| 421 | P | B | -1.7027 | |
| 422 | R | B | -2.1206 | |
| 423 | K | B | -2.4055 | |
| 424 | H | B | -1.5415 | |
| 425 | D | B | 0.0000 | |
| 426 | H | B | 0.0000 | |
| 427 | T | B | 0.0000 | |
| 428 | V | B | 0.0000 | |
| 429 | P | B | 0.0000 | |
| 430 | F | B | 0.0000 | |
| 431 | G | B | 0.0000 | |
| 432 | F | B | 0.0000 | |
| 433 | Y | B | 0.0000 | |
| 434 | T | B | 0.0000 | |
| 435 | E | B | 0.0000 | |
| 436 | D | B | 0.0000 | |
| 437 | I | B | 0.0000 | |
| 438 | A | B | 0.0000 | |
| 439 | R | B | -0.6610 | |
| 440 | L | B | 0.0000 | |
| 441 | I | B | 0.0000 | |
| 442 | G | B | -0.8199 | |
| 443 | I | B | 0.0000 | |
| 444 | H | B | -0.6375 | |
| 445 | Y | B | -0.7318 | |
| 446 | Q | B | -1.6286 | |
| 447 | P | B | 0.0000 | |
| 448 | N | B | -2.4269 | |
| 449 | E | B | -2.9504 | |
| 450 | C | B | -2.3381 | |
| 451 | R | B | -3.0464 | |
| 452 | S | B | -2.2981 | |
| 453 | V | B | 0.0000 | |
| 454 | R | B | -1.6864 | |
| 455 | D | B | -1.9756 | |
| 456 | L | B | 0.0000 | |
| 457 | L | B | 0.0000 | |
| 458 | F | B | -0.0999 | |
| 459 | Y | B | 0.0000 | |
| 460 | Y | B | 0.0000 | |
| 461 | A | B | 0.0000 | |
| 462 | F | B | 0.0000 | |
| 463 | P | B | 0.0000 | |
| 464 | N | B | 0.0000 | |
| 465 | N | B | 0.0000 | |
| 466 | A | B | 0.0000 | |
| 467 | F | B | 0.0000 | |
| 468 | K | B | 0.0000 | |
| 469 | Y | B | 0.0000 | |
| 470 | R | B | 0.0000 | |
| 471 | L | B | -1.8053 | |
| 472 | K | B | -2.4797 | |
| 473 | G | B | -1.8504 | |
| 474 | E | B | -1.6872 | |
| 475 | Y | B | 0.0000 | |
| 476 | A | B | -1.5808 | |
| 477 | V | B | 0.0000 | |
| 478 | D | B | -2.6599 | |
| 479 | G | B | -2.2878 | |
| 480 | V | B | 0.0000 | |
| 481 | D | B | -3.5283 | |
| 482 | E | B | -3.4284 | |
| 483 | L | B | 0.0000 | |
| 484 | I | B | 0.0000 | |
| 485 | Q | B | -3.2238 | |
| 486 | K | B | -3.3077 | |
| 487 | V | B | 0.0000 | |
| 488 | N | B | 0.0000 | |
| 489 | D | B | -3.4155 | |
| 490 | K | B | -3.3181 | |
| 491 | H | B | 0.0000 | |
| 492 | D | B | -2.5368 | |
| 493 | H | B | -1.8637 | |
| 494 | Y | B | 0.0000 | |
| 495 | A | B | 0.0000 | |
| 496 | Q | B | 0.0000 | |
| 497 | V | B | 0.0000 | |
| 498 | F | B | 0.0000 | |
| 499 | V | B | 0.0000 | |
| 500 | Q | B | 0.0000 | |
| 501 | A | B | 0.0000 | |
| 502 | L | B | 0.0000 | |
| 503 | S | B | -0.5242 | |
| 504 | I | B | 0.0000 | |
| 505 | R | B | -1.1851 | |
| 506 | N | B | -1.6996 | |
| 507 | M | B | -1.5441 | |
| 508 | N | B | -2.1936 | |
| 509 | S | B | -1.9508 | |
| 510 | D | B | -2.0762 | |
| 511 | E | B | -2.7973 | |
| 512 | A | B | 0.0000 | |
| 513 | A | B | 0.0000 | |
| 514 | E | B | -1.4535 | |
| 515 | W | B | 0.0000 | |
| 516 | D | B | 0.0000 | |
| 517 | H | B | 0.0000 | |
| 518 | S | B | -0.9973 | |
| 519 | A | B | 0.0000 | |
| 520 | R | B | -2.3064 | |
| 521 | R | B | 0.0000 | |
| 522 | F | B | 0.0000 | |
| 523 | S | B | -0.2773 | |
| 524 | F | B | 0.0000 | |
| 525 | N | B | 0.0000 | |
| 526 | D | B | 0.0000 | |
| 527 | M | B | 0.0000 | |
| 528 | R | B | -1.2140 | |
| 529 | H | B | -1.2953 | |
| 530 | K | B | 0.0000 | |
| 531 | E | B | -2.6520 | |
| 532 | G | B | -1.8372 | |
| 533 | Y | B | -1.4679 | |
| 534 | R | B | -2.4233 | |
| 535 | A | B | -1.3541 | |
| 536 | F | B | 0.0000 | |
| 537 | L | B | 0.0000 | |
| 538 | D | B | -1.8780 | |
| 539 | T | B | -1.3807 | |
| 540 | Y | B | 0.0000 | |
| 541 | L | B | 0.0000 | |
| 542 | K | B | -2.4268 | |
| 543 | A | B | 0.0000 | |
| 544 | Y | B | 0.0000 | |
| 545 | R | B | -1.9724 | |
| 546 | Q | B | -2.3223 | |
| 547 | V | B | -1.5329 | |
| 548 | E | B | -1.6510 | |
| 549 | N | B | -1.8621 | |
| 550 | I | B | -1.4218 | |
| 551 | S | B | -1.4926 | |
| 552 | V | B | -1.8470 | |
| 553 | D | B | -2.3829 | |
| 554 | D | B | -1.8276 | |
| 555 | T | B | -0.1145 | |
| 556 | V | B | 1.2594 | |
| 557 | V | B | 1.2095 | |
| 558 | D | B | -0.8611 | |
| 559 | E | B | -1.8629 | |
| 560 | E | B | -1.9553 | |
| 561 | W | B | 0.0000 | |
| 562 | N | B | -1.7433 | |
| 563 | F | B | -0.3590 | |
| 564 | M | B | 0.0000 | |
| 565 | V | B | -1.3205 | |
| 566 | K | B | -2.0589 | |
| 567 | E | B | -1.6115 | |
| 568 | A | B | -1.0287 | |
| 569 | C | B | 0.0000 | |
| 570 | Q | B | -2.2221 | |
| 571 | V | B | -1.0875 | |
| 572 | R | B | -1.4122 | |
| 573 | D | B | -2.2285 | |
| 574 | K | B | -2.3802 | |
| 575 | V | B | -1.1470 | |
| 576 | A | B | -1.2186 | |
| 577 | P | B | -1.5144 | |
| 578 | N | B | -2.1219 | |
| 579 | I | B | -1.4805 | |
| 580 | E | B | -3.0021 | |
| 581 | E | B | -3.3917 | |
| 582 | K | B | -2.5784 | |
| 583 | T | B | -1.4733 | |
| 584 | H | B | -1.8539 | |
| 585 | Y | B | -1.4698 | |
| 586 | S | B | -1.3588 | |
| 587 | K | B | -1.4577 | |
| 588 | D | B | -1.5730 | |
| 589 | E | B | -2.1230 | |
| 590 | D | B | -1.7419 | |
| 591 | V | B | 0.0000 | |
| 592 | N | B | -1.8247 | |
| 593 | K | B | -2.3675 | |
| 594 | G | B | 0.0000 | |
| 595 | I | B | -1.3591 | |
| 596 | R | B | -1.9199 | |
| 597 | L | B | -0.9934 | |
| 598 | I | B | 0.0000 | |
| 599 | L | B | -0.4460 | |
| 600 | S | B | -0.3711 | |
| 601 | I | B | -0.3562 | |
| 602 | L | B | -0.7844 | |
| 603 | D | B | -2.2096 | |
| 604 | S | B | -1.5602 | |
| 605 | D | B | -1.7377 | |
| 606 | I | B | -1.3711 | |
| 607 | S | B | -0.9624 | |
| 608 | S | B | -0.6510 | |
| 629 | K | B | -2.0400 | |
| 630 | F | B | -1.3530 | |
| 631 | E | B | -2.0852 | |
| 632 | A | B | -1.5848 | |
| 633 | Q | B | -1.5937 | |
| 634 | S | B | 0.0000 | |
| 635 | I | B | -1.4266 | |
| 636 | E | B | -2.3295 | |
| 637 | F | B | 0.0000 | |
| 638 | I | B | 0.0000 | |
| 639 | R | B | -3.0812 | |
| 640 | R | B | -3.4953 | |
| 641 | L | B | 0.0000 | |
| 642 | L | B | -2.4750 | |
| 643 | Q | B | -2.8424 | |
| 644 | P | B | -2.3108 | |
| 645 | K | B | -2.6025 | |
| 646 | N | B | -1.7682 | |
| 647 | Y | B | -1.2400 | |
| 648 | E | B | -1.3436 | |
| 649 | L | B | 0.0000 | |
| 650 | L | B | 0.2718 | |
| 651 | F | B | 0.0000 | |
| 652 | I | B | -0.6160 | |
| 653 | R | B | -2.3975 | |
| 654 | E | B | -3.2251 | |
| 655 | S | B | -1.9228 | |
| 705 | W | B | 0.0000 |
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 | -0.7625 | 2.4286 | View | CSV | PDB |
| 4.5 | -0.8344 | 2.2718 | View | CSV | PDB |
| 5.0 | -0.9224 | 2.1027 | View | CSV | PDB |
| 5.5 | -1.0118 | 1.9623 | View | CSV | PDB |
| 6.0 | -1.0875 | 1.8858 | View | CSV | PDB |
| 6.5 | -1.1384 | 1.8783 | View | CSV | PDB |
| 7.0 | -1.1627 | 1.9153 | View | CSV | PDB |
| 7.5 | -1.168 | 1.9739 | View | CSV | PDB |
| 8.0 | -1.1619 | 2.0461 | View | CSV | PDB |
| 8.5 | -1.1466 | 2.1385 | View | CSV | PDB |
| 9.0 | -1.1206 | 2.2688 | 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