| Chain sequence(s) |
A: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD
B: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:25:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/946fa1e9d4a5082/tmp/folded.pdb (00:25:42)
[INFO] Main: Simulation completed successfully. (00:37:20)
|
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 | 0.6403 | |
| 2 | A | A | -0.4690 | |
| 3 | K | A | -1.7234 | |
| 4 | T | A | -1.0503 | |
| 5 | P | A | 0.0000 | |
| 6 | S | A | -1.0394 | |
| 7 | D | A | -1.1804 | |
| 8 | H | A | -1.3784 | |
| 9 | L | A | 0.0000 | |
| 10 | L | A | -0.6549 | |
| 11 | S | A | -1.1599 | |
| 12 | T | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | E | A | -2.7010 | |
| 15 | E | A | -2.5884 | |
| 16 | L | A | 0.0000 | |
| 17 | V | A | -1.1239 | |
| 18 | P | A | -0.9561 | |
| 19 | Y | A | -0.1639 | |
| 20 | D | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | E | A | -0.7921 | |
| 23 | K | A | -0.5798 | |
| 24 | F | A | 0.0000 | |
| 25 | K | A | 0.0000 | |
| 26 | F | A | -0.8737 | |
| 27 | K | A | -0.9823 | |
| 28 | L | A | 0.0000 | |
| 29 | Q | A | -1.7068 | |
| 30 | N | A | -1.6397 | |
| 31 | T | A | -1.2143 | |
| 32 | S | A | -1.2104 | |
| 33 | V | A | -1.7578 | |
| 34 | Q | A | -2.7993 | |
| 35 | K | A | -3.4447 | |
| 36 | E | A | -3.3348 | |
| 37 | H | A | -2.3909 | |
| 38 | S | A | -1.8610 | |
| 39 | R | A | -2.4765 | |
| 40 | I | A | 0.0000 | |
| 41 | P | A | -1.8220 | |
| 42 | R | A | -3.0470 | |
| 43 | S | A | -2.1959 | |
| 44 | Q | A | -2.5207 | |
| 45 | I | A | 0.0000 | |
| 46 | Q | A | -2.8215 | |
| 47 | R | A | -3.3903 | |
| 48 | A | A | 0.0000 | |
| 49 | R | A | -2.9134 | |
| 50 | P | A | -1.7543 | |
| 51 | V | A | -0.5221 | |
| 52 | K | A | -1.7071 | |
| 53 | M | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | T | A | -0.3256 | |
| 56 | L | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | -0.2419 | |
| 59 | T | A | 0.1461 | |
| 60 | Y | A | 0.0120 | |
| 61 | Y | A | 0.0000 | |
| 62 | G | A | -0.8253 | |
| 63 | E | A | -1.5467 | |
| 64 | E | A | -2.2934 | |
| 65 | Y | A | -1.3829 | |
| 66 | A | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | -2.0066 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | L | A | -2.0183 | |
| 72 | Q | A | -1.8684 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.8692 | |
| 76 | A | A | -1.7161 | |
| 77 | I | A | -1.5056 | |
| 78 | N | A | -2.1487 | |
| 79 | Q | A | -1.8874 | |
| 80 | R | A | -2.6413 | |
| 81 | L | A | -0.7779 | |
| 82 | L | A | -1.7444 | |
| 83 | A | A | -2.7044 | |
| 84 | E | A | -3.3000 | |
| 85 | E | A | -3.2320 | |
| 86 | L | A | 0.0000 | |
| 87 | H | A | -2.5095 | |
| 88 | R | A | -3.0031 | |
| 89 | A | A | -2.0626 | |
| 90 | A | A | 0.0000 | |
| 91 | I | A | 0.2730 | |
| 92 | Q | A | -1.1174 | |
| 93 | E | A | -1.0802 | |
| 94 | Y | A | -0.6250 | |
| 95 | S | A | -0.9679 | |
| 96 | T | A | -1.4894 | |
| 97 | Q | A | -2.3489 | |
| 98 | E | A | -3.1880 | |
| 99 | N | A | -2.9589 | |
| 100 | G | A | -2.7200 | |
| 101 | T | A | -2.6182 | |
| 102 | D | A | -3.3359 | |
| 103 | D | A | -2.8471 | |
| 104 | S | A | -1.4992 | |
| 105 | A | A | -0.8266 | |
| 106 | A | A | -0.3768 | |
| 107 | S | A | -0.1947 | |
| 108 | S | A | -0.1248 | |
| 109 | S | A | 0.2715 | |
| 110 | L | A | 0.5871 | |
| 111 | G | A | -1.0161 | |
| 112 | E | A | -2.8262 | |
| 113 | N | A | -3.2378 | |
| 114 | K | A | -3.4064 | |
| 115 | P | A | -2.5531 | |
| 116 | R | A | -2.4431 | |
| 117 | S | A | -1.1000 | |
| 118 | L | A | 0.1371 | |
| 119 | K | A | -1.4548 | |
| 120 | T | A | -1.2357 | |
| 121 | P | A | -1.6676 | |
| 122 | D | A | -2.7133 | |
| 123 | H | A | -2.5638 | |
| 124 | P | A | -2.1299 | |
| 125 | E | A | -2.7034 | |
| 126 | G | A | -2.6531 | |
| 127 | N | A | -2.9479 | |
| 128 | E | A | -3.1387 | |
| 129 | G | A | -2.5664 | |
| 130 | N | A | -2.2312 | |
| 131 | G | A | -2.0144 | |
| 132 | P | A | -1.7763 | |
| 133 | R | A | -1.8930 | |
| 134 | P | A | -0.6825 | |
| 135 | Y | A | 0.4205 | |
| 136 | G | A | -0.2082 | |
| 137 | G | A | -0.6273 | |
| 138 | G | A | -0.7795 | |
| 139 | A | A | -0.1705 | |
| 140 | A | A | 0.0338 | |
| 141 | S | A | 0.1440 | |
| 142 | L | A | 0.7312 | |
| 143 | R | A | -0.9547 | |
| 144 | C | A | -0.1430 | |
| 145 | S | A | -0.8186 | |
| 146 | Q | A | -1.8705 | |
| 147 | P | A | -1.8115 | |
| 148 | E | A | -2.4661 | |
| 149 | A | A | -1.7364 | |
| 150 | G | A | -1.7138 | |
| 151 | R | A | -2.1391 | |
| 152 | G | A | -0.9539 | |
| 153 | L | A | 0.0956 | |
| 154 | S | A | -1.1011 | |
| 155 | R | A | -2.3489 | |
| 156 | K | A | -2.2716 | |
| 157 | P | A | -0.9689 | |
| 158 | L | A | 0.3151 | |
| 159 | S | A | -0.9729 | |
| 160 | K | A | -2.7822 | |
| 161 | R | A | -4.1472 | |
| 162 | R | A | -4.5024 | |
| 163 | E | A | -4.0705 | |
| 164 | K | A | -3.1448 | |
| 165 | A | A | -1.6950 | |
| 166 | S | A | -1.5322 | |
| 167 | E | A | -1.7893 | |
| 168 | G | A | -1.0209 | |
| 169 | L | A | -0.0195 | |
| 170 | D | A | -1.4270 | |
| 171 | A | A | -1.5079 | |
| 172 | Q | A | -2.2688 | |
| 173 | G | A | -2.3154 | |
| 174 | K | A | -2.7340 | |
| 175 | P | A | -2.3336 | |
| 176 | R | A | -2.8099 | |
| 177 | T | A | -2.0581 | |
| 178 | R | A | -2.4443 | |
| 179 | S | A | -1.3590 | |
| 180 | P | A | -0.3825 | |
| 181 | A | A | 0.5822 | |
| 182 | L | A | 1.2769 | |
| 183 | P | A | 0.2358 | |
| 184 | G | A | -0.8751 | |
| 185 | G | A | -1.7171 | |
| 186 | R | A | -2.3461 | |
| 187 | S | A | -1.5015 | |
| 188 | P | A | -1.0675 | |
| 189 | G | A | -0.6228 | |
| 190 | P | A | -0.5791 | |
| 191 | C | A | -0.1816 | |
| 192 | R | A | -1.1480 | |
| 193 | A | A | -0.1495 | |
| 194 | L | A | 0.2571 | |
| 195 | E | A | -1.4292 | |
| 196 | G | A | -1.6519 | |
| 197 | G | A | -1.9457 | |
| 198 | Q | A | -1.9562 | |
| 199 | A | A | -1.2052 | |
| 200 | E | A | -1.4883 | |
| 201 | V | A | 0.1390 | |
| 202 | R | A | -1.3446 | |
| 203 | L | A | -0.3940 | |
| 204 | R | A | -2.5913 | |
| 205 | R | A | -3.3331 | |
| 206 | N | A | -2.7175 | |
| 207 | A | A | -1.1306 | |
| 208 | S | A | -0.8428 | |
| 209 | S | A | -0.6185 | |
| 210 | A | A | -0.5452 | |
| 211 | G | A | -1.1680 | |
| 212 | R | A | -1.6859 | |
| 213 | L | A | -0.0443 | |
| 214 | Q | A | -0.8618 | |
| 215 | G | A | -0.1365 | |
| 216 | L | A | 1.0621 | |
| 217 | A | A | 0.2476 | |
| 218 | G | A | -0.3148 | |
| 219 | G | A | -0.6107 | |
| 220 | A | A | -0.6743 | |
| 221 | P | A | -1.1159 | |
| 222 | G | A | -1.9387 | |
| 223 | Q | A | -2.7047 | |
| 224 | K | A | -3.3768 | |
| 225 | E | A | -3.2905 | |
| 226 | C | A | -1.4853 | |
| 227 | R | A | -2.0881 | |
| 228 | P | A | -0.5296 | |
| 229 | F | A | 1.2504 | |
| 230 | E | A | 0.3310 | |
| 231 | V | A | 2.5519 | |
| 232 | Y | A | 2.5482 | |
| 233 | L | A | 2.2266 | |
| 234 | P | A | 0.6728 | |
| 235 | S | A | -0.2777 | |
| 236 | G | A | -1.0941 | |
| 237 | K | A | -1.8893 | |
| 238 | M | A | -0.7943 | |
| 239 | R | A | -1.7772 | |
| 240 | P | A | -1.3547 | |
| 241 | R | A | -2.2476 | |
| 242 | S | A | -1.3981 | |
| 243 | L | A | -1.0466 | |
| 244 | E | A | -2.0905 | |
| 245 | V | A | -0.6375 | |
| 246 | T | A | -0.7211 | |
| 247 | I | A | -0.3445 | |
| 248 | S | A | -0.5762 | |
| 249 | T | A | -1.4038 | |
| 250 | G | A | -2.2105 | |
| 251 | E | A | -3.0234 | |
| 252 | K | A | -2.9639 | |
| 253 | A | A | -1.8235 | |
| 254 | P | A | -1.4408 | |
| 255 | A | A | -1.7084 | |
| 256 | N | A | -1.9269 | |
| 257 | P | A | -1.3859 | |
| 258 | E | A | -0.7140 | |
| 259 | I | A | 2.0086 | |
| 260 | L | A | 2.9210 | |
| 261 | L | A | 2.8037 | |
| 262 | T | A | 1.6551 | |
| 263 | L | A | 0.8166 | |
| 264 | E | A | -2.2776 | |
| 265 | E | A | -3.3257 | |
| 266 | K | A | -2.9792 | |
| 267 | T | A | -1.3231 | |
| 268 | A | A | -0.5922 | |
| 269 | A | A | -0.3949 | |
| 270 | N | A | -0.7777 | |
| 271 | L | A | -0.0604 | |
| 272 | D | A | -1.4099 | |
| 273 | S | A | -0.7808 | |
| 274 | A | A | -0.9189 | |
| 275 | T | A | -1.3404 | |
| 276 | E | A | -2.4078 | |
| 277 | P | A | -2.0259 | |
| 278 | R | A | -2.8128 | |
| 279 | A | A | -2.0992 | |
| 280 | R | A | -2.3859 | |
| 281 | P | A | -1.2548 | |
| 282 | T | A | -1.0998 | |
| 283 | P | A | -1.3408 | |
| 284 | D | A | -2.2731 | |
| 285 | G | A | -1.6764 | |
| 286 | G | A | -1.1383 | |
| 287 | A | A | -0.5664 | |
| 288 | S | A | -0.5736 | |
| 289 | A | A | -0.7026 | |
| 290 | D | A | -1.4484 | |
| 291 | L | A | -0.6996 | |
| 292 | K | A | -2.2784 | |
| 293 | E | A | -2.6254 | |
| 294 | G | A | -1.9615 | |
| 295 | P | A | -1.4169 | |
| 296 | G | A | -1.3960 | |
| 297 | N | A | -2.0839 | |
| 298 | P | A | -2.1316 | |
| 299 | E | A | -2.8057 | |
| 300 | H | A | -1.7569 | |
| 301 | S | A | -0.1394 | |
| 302 | V | A | 1.3053 | |
| 303 | T | A | 0.1321 | |
| 304 | G | A | -1.1896 | |
| 305 | R | A | -2.3926 | |
| 306 | P | A | -1.9265 | |
| 307 | P | A | -1.8860 | |
| 308 | D | A | -2.2138 | |
| 309 | T | A | -1.0150 | |
| 310 | A | A | -0.3748 | |
| 311 | A | A | -0.0865 | |
| 312 | S | A | -0.7121 | |
| 313 | P | A | -1.1037 | |
| 314 | R | A | -1.8932 | |
| 315 | C | A | -0.7772 | |
| 316 | H | A | -1.2446 | |
| 317 | A | A | -1.2957 | |
| 318 | Q | A | -2.3678 | |
| 319 | E | A | -3.0542 | |
| 320 | G | A | -2.6006 | |
| 321 | D | A | -2.1614 | |
| 322 | P | A | -0.9567 | |
| 323 | V | A | 0.2884 | |
| 324 | D | A | -1.2629 | |
| 325 | G | A | -0.9604 | |
| 326 | T | A | -0.0940 | |
| 327 | C | A | 0.5980 | |
| 328 | V | A | -0.0718 | |
| 329 | R | A | -2.0785 | |
| 330 | D | A | -2.5664 | |
| 331 | S | A | -1.2239 | |
| 332 | C | A | 0.5471 | |
| 333 | S | A | 1.0102 | |
| 334 | F | A | 1.4595 | |
| 335 | P | A | -0.2510 | |
| 336 | E | A | -1.0508 | |
| 337 | A | A | -0.0747 | |
| 338 | V | A | 1.1255 | |
| 339 | S | A | 0.0560 | |
| 340 | G | A | -0.7007 | |
| 341 | H | A | -1.6576 | |
| 342 | P | A | -1.4207 | |
| 343 | Q | A | -1.5624 | |
| 344 | A | A | -0.7949 | |
| 345 | S | A | -0.7391 | |
| 346 | G | A | -1.0944 | |
| 347 | S | A | -1.4623 | |
| 348 | R | A | -2.2167 | |
| 349 | S | A | -1.4995 | |
| 350 | P | A | -0.8627 | |
| 351 | G | A | -0.5611 | |
| 352 | C | A | 0.0058 | |
| 353 | P | A | -0.8863 | |
| 354 | R | A | -2.0702 | |
| 355 | C | A | -1.2918 | |
| 356 | Q | A | -2.4744 | |
| 357 | D | A | -3.0689 | |
| 358 | S | A | -2.6371 | |
| 359 | H | A | -3.5234 | |
| 360 | E | A | -4.1205 | |
| 361 | R | A | -4.0017 | |
| 362 | K | A | -3.6259 | |
| 363 | S | A | -2.1733 | |
| 364 | P | A | -1.1746 | |
| 365 | G | A | -0.6563 | |
| 366 | S | A | 0.1004 | |
| 367 | L | A | 0.9121 | |
| 368 | S | A | -0.0364 | |
| 369 | P | A | -0.5302 | |
| 370 | Q | A | -1.1298 | |
| 371 | P | A | -0.8546 | |
| 372 | L | A | -0.3696 | |
| 373 | P | A | -0.7267 | |
| 374 | Q | A | -1.8159 | |
| 375 | C | A | 0.0000 | |
| 376 | K | A | -2.8346 | |
| 377 | R | A | -2.6318 | |
| 378 | H | A | -1.0942 | |
| 379 | L | A | -0.2127 | |
| 380 | K | A | -1.6755 | |
| 381 | Q | A | -0.7376 | |
| 382 | V | A | -0.0086 | |
| 383 | Q | A | 0.0000 | |
| 384 | L | A | 0.6817 | |
| 385 | L | A | 0.1438 | |
| 386 | F | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | E | A | -3.5090 | |
| 389 | D | A | -3.9820 | |
| 390 | H | A | -3.8022 | |
| 391 | D | A | -3.9354 | |
| 392 | E | A | -2.7820 | |
| 393 | P | A | -0.9323 | |
| 394 | I | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | L | A | 1.8730 | |
| 397 | I | A | 2.0006 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.3298 | |
| 400 | L | A | 1.2245 | |
| 401 | S | A | -0.4058 | |
| 402 | Q | A | -2.3026 | |
| 403 | E | A | -2.7512 | |
| 404 | H | A | 0.0000 | |
| 405 | Q | A | -2.4413 | |
| 406 | G | A | -2.0777 | |
| 407 | H | A | -3.0538 | |
| 408 | R | A | -3.1011 | |
| 409 | V | A | -1.9530 | |
| 410 | R | A | -1.2441 | |
| 411 | P | A | -0.8196 | |
| 412 | I | A | 0.0000 | |
| 413 | E | A | -2.1683 | |
| 414 | E | A | -2.0448 | |
| 415 | V | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | L | A | -0.7853 | |
| 418 | E | A | -1.6464 | |
| 419 | H | A | -1.9511 | |
| 420 | K | A | -2.0046 | |
| 421 | K | A | -2.8246 | |
| 422 | K | A | -2.9649 | |
| 423 | I | A | 0.0000 | |
| 424 | Q | A | -3.7874 | |
| 425 | K | A | -3.9270 | |
| 426 | Q | A | -3.5131 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -4.2148 | |
| 429 | H | A | -3.8491 | |
| 430 | L | A | 0.0000 | |
| 431 | K | A | -3.7445 | |
| 432 | K | A | -3.9284 | |
| 433 | L | A | -2.3046 | |
| 434 | R | A | -3.0387 | |
| 435 | K | A | -3.9281 | |
| 436 | S | A | -2.9030 | |
| 437 | G | A | 0.0000 | |
| 438 | E | A | -3.2638 | |
| 439 | E | A | -3.4216 | |
| 440 | Q | A | -3.0037 | |
| 441 | R | A | -3.0673 | |
| 442 | S | A | -2.1004 | |
| 443 | Y | A | -1.5956 | |
| 444 | G | A | 0.0000 | |
| 445 | E | A | -2.1196 | |
| 446 | E | A | -2.0924 | |
| 447 | K | A | -1.3569 | |
| 448 | A | A | 0.0000 | |
| 449 | V | A | -0.7227 | |
| 450 | S | A | -1.2663 | |
| 451 | F | A | 0.0000 | |
| 452 | L | A | -1.5312 | |
| 453 | K | A | -2.3000 | |
| 454 | Q | A | -1.7197 | |
| 455 | T | A | 0.0000 | |
| 456 | E | A | -3.3987 | |
| 457 | A | A | -2.5267 | |
| 458 | L | A | 0.0000 | |
| 459 | K | A | -3.1217 | |
| 460 | Q | A | -3.5141 | |
| 461 | R | A | -4.1206 | |
| 462 | V | A | 0.0000 | |
| 463 | Q | A | -3.5384 | |
| 464 | R | A | -4.2368 | |
| 465 | K | A | -3.6757 | |
| 466 | L | A | 0.0000 | |
| 467 | E | A | -2.8659 | |
| 468 | Q | A | -2.4485 | |
| 469 | V | A | 0.0000 | |
| 470 | Y | A | -0.8261 | |
| 471 | Y | A | -0.1142 | |
| 472 | F | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -1.5490 | |
| 475 | Q | A | -1.4231 | |
| 476 | Q | A | -1.1784 | |
| 477 | E | A | -1.1715 | |
| 478 | H | A | -1.3685 | |
| 479 | F | A | -0.3667 | |
| 480 | F | A | 0.0000 | |
| 481 | V | A | -1.2083 | |
| 482 | A | A | -1.1014 | |
| 483 | S | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | E | A | -3.0943 | |
| 486 | D | A | -3.0648 | |
| 487 | V | A | 0.0000 | |
| 488 | G | A | -2.3044 | |
| 489 | Q | A | -2.5579 | |
| 490 | M | A | -1.8572 | |
| 491 | V | A | 0.0000 | |
| 492 | G | A | -1.7273 | |
| 493 | Q | A | -2.1812 | |
| 494 | I | A | -1.3392 | |
| 495 | R | A | -2.8438 | |
| 496 | K | A | -3.0295 | |
| 497 | A | A | -1.8438 | |
| 498 | Y | A | 0.0000 | |
| 499 | D | A | -2.7964 | |
| 500 | T | A | -2.0341 | |
| 501 | R | A | -2.6582 | |
| 502 | V | A | 0.0000 | |
| 503 | S | A | -1.6765 | |
| 504 | Q | A | -1.9115 | |
| 505 | D | A | -1.2435 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | -0.7283 | |
| 508 | L | A | -0.1562 | |
| 509 | L | A | 0.0000 | |
| 510 | D | A | -1.1369 | |
| 511 | A | A | -0.5099 | |
| 512 | L | A | 0.0000 | |
| 513 | I | A | -1.3971 | |
| 514 | G | A | -1.2793 | |
| 515 | E | A | -1.3900 | |
| 516 | L | A | 0.0000 | |
| 517 | E | A | -2.2684 | |
| 518 | A | A | -1.1955 | |
| 519 | K | A | -1.5787 | |
| 520 | E | A | -1.4730 | |
| 521 | C | A | -0.3830 | |
| 522 | Q | A | -1.0040 | |
| 523 | S | A | -0.7605 | |
| 524 | E | A | -1.1321 | |
| 525 | W | A | -0.5895 | |
| 526 | E | A | -1.0515 | |
| 527 | L | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | Q | A | -2.2854 | |
| 530 | D | A | -2.9280 | |
| 531 | I | A | 0.0000 | |
| 532 | G | A | -2.3811 | |
| 533 | D | A | -3.1738 | |
| 534 | I | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | H | A | -2.6575 | |
| 537 | R | A | -2.3122 | |
| 538 | A | A | 0.0000 | |
| 539 | K | A | -2.5891 | |
| 540 | T | A | -1.1713 | |
| 541 | V | A | -0.3474 | |
| 542 | P | A | 0.2841 | |
| 543 | V | A | 1.1510 | |
| 544 | P | A | 0.0000 | |
| 545 | E | A | -1.7447 | |
| 546 | K | A | -2.1935 | |
| 547 | W | A | 0.0000 | |
| 548 | T | A | -0.8393 | |
| 549 | T | A | -0.9454 | |
| 550 | P | A | -1.2097 | |
| 551 | Q | A | -2.3160 | |
| 552 | E | A | -2.6840 | |
| 553 | I | A | 0.0000 | |
| 554 | K | A | -1.8666 | |
| 555 | Q | A | -2.0560 | |
| 556 | K | A | -2.2310 | |
| 557 | I | A | 0.0000 | |
| 558 | Q | A | -1.4631 | |
| 559 | L | A | -1.2337 | |
| 560 | L | A | 0.0000 | |
| 561 | H | A | -1.3021 | |
| 562 | Q | A | -1.7390 | |
| 563 | K | A | 0.0000 | |
| 564 | S | A | 0.0000 | |
| 565 | E | A | -1.7699 | |
| 566 | F | A | -1.2325 | |
| 567 | V | A | 0.0000 | |
| 568 | E | A | -1.9260 | |
| 569 | K | A | -1.5501 | |
| 570 | S | A | 0.0000 | |
| 571 | T | A | 0.0000 | |
| 572 | K | A | -1.5567 | |
| 573 | Y | A | -0.3673 | |
| 574 | F | A | 0.0000 | |
| 575 | S | A | -1.6112 | |
| 576 | E | A | -2.3516 | |
| 577 | T | A | -1.3341 | |
| 578 | L | A | 0.0000 | |
| 579 | R | A | -2.5947 | |
| 580 | S | A | -1.8733 | |
| 581 | E | A | -1.3431 | |
| 582 | M | A | 0.0000 | |
| 583 | E | A | -1.4760 | |
| 584 | M | A | -0.7958 | |
| 585 | F | A | -0.6933 | |
| 586 | N | A | -1.2047 | |
| 587 | V | A | 0.0000 | |
| 588 | P | A | -0.7279 | |
| 589 | E | A | -0.5573 | |
| 590 | L | A | 0.0000 | |
| 591 | I | A | 0.0531 | |
| 592 | G | A | -0.5196 | |
| 593 | A | A | 0.0000 | |
| 594 | Q | A | -0.3744 | |
| 595 | A | A | -0.2984 | |
| 596 | H | A | -0.5577 | |
| 597 | A | A | -0.5927 | |
| 598 | V | A | -0.3153 | |
| 599 | N | A | -0.8877 | |
| 600 | V | A | 0.0000 | |
| 601 | I | A | 0.1359 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | -0.8662 | |
| 604 | A | A | -0.9202 | |
| 605 | E | A | -2.3668 | |
| 606 | T | A | 0.0000 | |
| 607 | A | A | 0.0000 | |
| 608 | Y | A | 0.0000 | |
| 609 | P | A | -1.8426 | |
| 610 | N | A | 0.0000 | |
| 611 | L | A | 0.0000 | |
| 612 | I | A | -0.5098 | |
| 613 | F | A | -0.5430 | |
| 614 | S | A | -1.4149 | |
| 615 | D | A | -2.5101 | |
| 616 | D | A | -2.4187 | |
| 617 | L | A | -0.9650 | |
| 618 | K | A | -0.8719 | |
| 619 | S | A | -0.7580 | |
| 620 | V | A | 0.0000 | |
| 621 | R | A | -1.1261 | |
| 622 | L | A | -1.1272 | |
| 623 | G | A | 0.0000 | |
| 624 | N | A | -1.5907 | |
| 625 | K | A | -2.1877 | |
| 626 | W | A | -0.8244 | |
| 627 | E | A | -1.7280 | |
| 628 | R | A | -2.5320 | |
| 629 | L | A | -1.2979 | |
| 630 | P | A | -1.7517 | |
| 631 | D | A | -2.2995 | |
| 632 | G | A | -1.4757 | |
| 633 | P | A | -1.5399 | |
| 634 | Q | A | -2.1438 | |
| 635 | R | A | 0.0000 | |
| 636 | F | A | 0.0000 | |
| 637 | D | A | -2.4627 | |
| 638 | S | A | 0.0000 | |
| 639 | C | A | 0.0000 | |
| 640 | I | A | 0.0000 | |
| 641 | I | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | L | A | 0.0000 | |
| 644 | G | A | 0.0000 | |
| 645 | S | A | -0.2120 | |
| 646 | P | A | -0.2879 | |
| 647 | S | A | -0.0819 | |
| 648 | F | A | 0.0000 | |
| 649 | L | A | 1.0967 | |
| 650 | S | A | -0.0620 | |
| 651 | G | A | -0.5917 | |
| 652 | R | A | -0.8565 | |
| 653 | R | A | -0.9074 | |
| 654 | Y | A | 0.0000 | |
| 655 | W | A | 0.0000 | |
| 656 | E | A | 0.0000 | |
| 657 | V | A | 0.0000 | |
| 658 | E | A | -1.2605 | |
| 659 | V | A | 0.0000 | |
| 660 | G | A | -1.7759 | |
| 661 | D | A | -2.7019 | |
| 662 | K | A | 0.0000 | |
| 663 | T | A | 0.0000 | |
| 664 | A | A | -1.6558 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | C | A | 0.0000 | |
| 671 | K | A | -0.6615 | |
| 672 | T | A | -0.4584 | |
| 673 | S | A | -0.5544 | |
| 674 | I | A | 0.0000 | |
| 675 | S | A | -1.1461 | |
| 676 | R | A | -1.6732 | |
| 677 | K | A | -2.1609 | |
| 678 | G | A | -1.7063 | |
| 679 | N | A | -2.0558 | |
| 680 | M | A | -1.1873 | |
| 681 | T | A | -1.3042 | |
| 682 | L | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | P | A | -1.0178 | |
| 685 | E | A | -2.0455 | |
| 686 | N | A | -1.6472 | |
| 687 | G | A | 0.0000 | |
| 688 | Y | A | 0.0000 | |
| 689 | W | A | 0.0000 | |
| 690 | V | A | 0.0000 | |
| 691 | V | A | 0.0000 | |
| 692 | I | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | M | A | -1.3684 | |
| 695 | K | A | -3.1609 | |
| 696 | E | A | -3.6191 | |
| 697 | N | A | -3.0203 | |
| 698 | E | A | -2.5258 | |
| 699 | Y | A | 0.0000 | |
| 700 | Q | A | -0.8354 | |
| 701 | A | A | 0.0000 | |
| 702 | S | A | 0.0000 | |
| 703 | S | A | -0.1075 | |
| 704 | V | A | 0.3324 | |
| 705 | P | A | -0.2257 | |
| 706 | P | A | -0.5688 | |
| 707 | T | A | -0.7121 | |
| 708 | R | A | -1.7464 | |
| 709 | L | A | 0.0000 | |
| 710 | L | A | 0.2637 | |
| 711 | I | A | -0.8273 | |
| 712 | K | A | -1.9481 | |
| 713 | E | A | -1.9893 | |
| 714 | P | A | -2.1018 | |
| 715 | P | A | 0.0000 | |
| 716 | K | A | -2.0638 | |
| 717 | R | A | -1.4263 | |
| 718 | V | A | 0.0000 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | V | A | 0.0000 | |
| 723 | D | A | 0.0000 | |
| 724 | Y | A | -0.4162 | |
| 725 | R | A | -1.2939 | |
| 726 | V | A | -0.3519 | |
| 727 | G | A | 0.0000 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | F | A | 0.0000 | |
| 732 | Y | A | 0.0000 | |
| 733 | N | A | 0.0000 | |
| 734 | V | A | -0.3670 | |
| 735 | T | A | -0.7131 | |
| 736 | A | A | 0.0000 | |
| 737 | R | A | -0.5141 | |
| 738 | S | A | -0.4898 | |
| 739 | H | A | -0.2749 | |
| 740 | I | A | 0.3683 | |
| 741 | Y | A | 0.2077 | |
| 742 | T | A | -0.0269 | |
| 743 | F | A | 0.0000 | |
| 744 | A | A | -0.4628 | |
| 745 | S | A | -0.1498 | |
| 746 | C | A | -0.0814 | |
| 747 | S | A | -0.2433 | |
| 748 | F | A | -0.0244 | |
| 749 | S | A | -0.0873 | |
| 750 | G | A | -0.0769 | |
| 751 | P | A | 0.1952 | |
| 752 | L | A | 0.0000 | |
| 753 | Q | A | 0.0000 | |
| 754 | P | A | 0.0000 | |
| 755 | I | A | 0.0000 | |
| 756 | F | A | 0.0000 | |
| 757 | S | A | 0.0000 | |
| 758 | P | A | 0.0000 | |
| 759 | G | A | 0.0000 | |
| 760 | T | A | -1.3613 | |
| 761 | R | A | -2.4959 | |
| 762 | D | A | -2.8890 | |
| 763 | G | A | -2.0997 | |
| 764 | G | A | -2.2192 | |
| 765 | K | A | -2.9547 | |
| 766 | N | A | 0.0000 | |
| 767 | T | A | -1.6232 | |
| 768 | A | A | -1.1080 | |
| 769 | P | A | -0.6182 | |
| 770 | L | A | 0.0000 | |
| 771 | T | A | -0.4052 | |
| 772 | I | A | 0.0000 | |
| 773 | C | A | -0.4070 | |
| 774 | P | A | -0.6330 | |
| 775 | V | A | -0.5776 | |
| 776 | G | A | -0.9047 | |
| 777 | G | A | -1.0338 | |
| 778 | Q | A | -1.4256 | |
| 779 | G | A | -1.4535 | |
| 780 | P | A | -1.6673 | |
| 781 | D | A | -2.2079 | |
| 1 | M | B | 0.6442 | |
| 2 | A | B | -0.5901 | |
| 3 | K | B | -1.6713 | |
| 4 | T | B | -0.9952 | |
| 5 | P | B | 0.0000 | |
| 6 | S | B | -1.0182 | |
| 7 | D | B | -1.1283 | |
| 8 | H | B | -1.3388 | |
| 9 | L | B | 0.0000 | |
| 10 | L | B | -0.5806 | |
| 11 | S | B | -0.9664 | |
| 12 | T | B | 0.0000 | |
| 13 | L | B | 0.0000 | |
| 14 | E | B | -2.3819 | |
| 15 | E | B | -1.8574 | |
| 16 | L | B | 0.0000 | |
| 17 | V | B | 0.0000 | |
| 18 | P | B | -1.1466 | |
| 19 | Y | B | 0.0000 | |
| 20 | D | B | 0.0000 | |
| 21 | F | B | 0.0000 | |
| 22 | E | B | -1.0965 | |
| 23 | K | B | -0.5980 | |
| 24 | F | B | 0.0000 | |
| 25 | K | B | 0.0000 | |
| 26 | F | B | -0.8591 | |
| 27 | K | B | -0.9689 | |
| 28 | L | B | 0.0000 | |
| 29 | Q | B | -1.7067 | |
| 30 | N | B | -1.6244 | |
| 31 | T | B | -1.2003 | |
| 32 | S | B | -1.2112 | |
| 33 | V | B | -1.7458 | |
| 34 | Q | B | -2.7933 | |
| 35 | K | B | -3.4431 | |
| 36 | E | B | -3.3343 | |
| 37 | H | B | -2.3915 | |
| 38 | S | B | -1.8808 | |
| 39 | R | B | -2.5219 | |
| 40 | I | B | 0.0000 | |
| 41 | P | B | -1.8725 | |
| 42 | R | B | -3.1105 | |
| 43 | S | B | -2.2713 | |
| 44 | Q | B | -2.6304 | |
| 45 | I | B | 0.0000 | |
| 46 | Q | B | -3.1344 | |
| 47 | R | B | -3.5382 | |
| 48 | A | B | 0.0000 | |
| 49 | R | B | -3.0756 | |
| 50 | P | B | -1.5859 | |
| 51 | V | B | -0.7142 | |
| 52 | K | B | -1.9047 | |
| 53 | M | B | 0.0000 | |
| 54 | A | B | 0.0000 | |
| 55 | T | B | -0.4109 | |
| 56 | L | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | V | B | -0.2638 | |
| 59 | T | B | 0.1387 | |
| 60 | Y | B | 0.0013 | |
| 61 | Y | B | 0.0000 | |
| 62 | G | B | -0.8297 | |
| 63 | E | B | -1.5708 | |
| 64 | E | B | -2.2974 | |
| 65 | Y | B | -1.3573 | |
| 66 | A | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | Q | B | -1.9907 | |
| 69 | L | B | 0.0000 | |
| 70 | T | B | 0.0000 | |
| 71 | L | B | -1.9667 | |
| 72 | Q | B | -1.8728 | |
| 73 | V | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | R | B | -2.8295 | |
| 76 | A | B | -1.6726 | |
| 77 | I | B | -1.3736 | |
| 78 | N | B | -2.0430 | |
| 79 | Q | B | -1.4216 | |
| 80 | R | B | -1.8248 | |
| 81 | L | B | -0.4181 | |
| 82 | L | B | -1.2393 | |
| 83 | A | B | 0.0000 | |
| 84 | E | B | -3.2308 | |
| 85 | E | B | -3.1842 | |
| 86 | L | B | 0.0000 | |
| 87 | H | B | -2.5372 | |
| 88 | R | B | -2.9530 | |
| 89 | A | B | -1.9563 | |
| 90 | A | B | 0.0000 | |
| 91 | I | B | 0.5930 | |
| 92 | Q | B | -0.9486 | |
| 93 | E | B | 0.0000 | |
| 94 | Y | B | -0.5801 | |
| 95 | S | B | -0.9941 | |
| 96 | T | B | -1.6123 | |
| 97 | Q | B | -2.7199 | |
| 98 | E | B | -3.3851 | |
| 99 | N | B | -3.1214 | |
| 100 | G | B | -2.8525 | |
| 101 | T | B | -2.6667 | |
| 102 | D | B | -3.3581 | |
| 103 | D | B | -2.8458 | |
| 104 | S | B | -1.5714 | |
| 105 | A | B | -0.9408 | |
| 106 | A | B | -0.4612 | |
| 107 | S | B | -0.1924 | |
| 108 | S | B | -0.0451 | |
| 109 | S | B | 0.2686 | |
| 110 | L | B | 0.5658 | |
| 111 | G | B | -1.0379 | |
| 112 | E | B | -2.8276 | |
| 113 | N | B | -3.0394 | |
| 114 | K | B | -3.3439 | |
| 115 | P | B | -2.5568 | |
| 116 | R | B | -2.1053 | |
| 117 | S | B | -0.9151 | |
| 118 | L | B | 0.1526 | |
| 119 | K | B | -1.2692 | |
| 120 | T | B | -1.1946 | |
| 121 | P | B | -1.7046 | |
| 122 | D | B | -2.6729 | |
| 123 | H | B | -2.4973 | |
| 124 | P | B | -2.2009 | |
| 125 | E | B | -2.7095 | |
| 126 | G | B | -2.6356 | |
| 127 | N | B | -2.9464 | |
| 128 | E | B | -3.1319 | |
| 129 | G | B | -2.4483 | |
| 130 | N | B | -2.4485 | |
| 131 | G | B | -2.0946 | |
| 132 | P | B | -1.6634 | |
| 133 | R | B | -2.0849 | |
| 134 | P | B | -0.7539 | |
| 135 | Y | B | 0.3524 | |
| 136 | G | B | -0.2936 | |
| 137 | G | B | -0.6072 | |
| 138 | G | B | -0.7654 | |
| 139 | A | B | -0.3283 | |
| 140 | A | B | 0.2303 | |
| 141 | S | B | 0.1491 | |
| 142 | L | B | 0.7187 | |
| 143 | R | B | -0.9206 | |
| 144 | C | B | -0.2027 | |
| 145 | S | B | -0.9998 | |
| 146 | Q | B | -1.8514 | |
| 147 | P | B | -1.8120 | |
| 148 | E | B | -2.2773 | |
| 149 | A | B | -1.6210 | |
| 150 | G | B | -1.8822 | |
| 151 | R | B | -1.9455 | |
| 152 | G | B | -0.7561 | |
| 153 | L | B | 0.3786 | |
| 154 | S | B | -1.0518 | |
| 155 | R | B | -2.4438 | |
| 156 | K | B | -2.5483 | |
| 157 | P | B | -0.8056 | |
| 158 | L | B | 0.3558 | |
| 159 | S | B | -0.7747 | |
| 160 | K | B | -2.8503 | |
| 161 | R | B | -4.1508 | |
| 162 | R | B | -4.4433 | |
| 163 | E | B | -4.0244 | |
| 164 | K | B | -3.1109 | |
| 165 | A | B | -1.6914 | |
| 166 | S | B | -1.5462 | |
| 167 | E | B | -1.7744 | |
| 168 | G | B | -1.0326 | |
| 169 | L | B | 0.0339 | |
| 170 | D | B | -1.4388 | |
| 171 | A | B | -1.1978 | |
| 172 | Q | B | -2.2348 | |
| 173 | G | B | -2.1187 | |
| 174 | K | B | -2.7449 | |
| 175 | P | B | -2.2493 | |
| 176 | R | B | -2.7785 | |
| 177 | T | B | -2.0051 | |
| 178 | R | B | -2.4285 | |
| 179 | S | B | -1.2893 | |
| 180 | P | B | -0.4081 | |
| 181 | A | B | 0.5681 | |
| 182 | L | B | 1.2798 | |
| 183 | P | B | 0.1670 | |
| 184 | G | B | -0.8502 | |
| 185 | G | B | -1.7383 | |
| 186 | R | B | -2.3460 | |
| 187 | S | B | -1.5182 | |
| 188 | P | B | -1.0763 | |
| 189 | G | B | -0.6232 | |
| 190 | P | B | -0.6061 | |
| 191 | C | B | -0.4972 | |
| 192 | R | B | -1.1579 | |
| 193 | A | B | -0.3553 | |
| 194 | L | B | 0.0990 | |
| 195 | E | B | -1.2758 | |
| 196 | G | B | -1.5338 | |
| 197 | G | B | -1.6835 | |
| 198 | Q | B | -1.9236 | |
| 199 | A | B | -1.4371 | |
| 200 | E | B | -1.6110 | |
| 201 | V | B | 0.3497 | |
| 202 | R | B | -1.0124 | |
| 203 | L | B | -0.2219 | |
| 204 | R | B | -2.7772 | |
| 205 | R | B | -3.1779 | |
| 206 | N | B | -2.6912 | |
| 207 | A | B | -1.0793 | |
| 208 | S | B | -0.5391 | |
| 209 | S | B | -0.3790 | |
| 210 | A | B | -0.5952 | |
| 211 | G | B | -1.1311 | |
| 212 | R | B | -1.6462 | |
| 213 | L | B | -0.0189 | |
| 214 | Q | B | -0.7955 | |
| 215 | G | B | -0.1557 | |
| 216 | L | B | 1.0468 | |
| 217 | A | B | 0.2461 | |
| 218 | G | B | -0.3220 | |
| 219 | G | B | -0.6070 | |
| 220 | A | B | -0.6690 | |
| 221 | P | B | -1.1083 | |
| 222 | G | B | -1.9281 | |
| 223 | Q | B | -2.7005 | |
| 224 | K | B | -3.3620 | |
| 225 | E | B | -3.2646 | |
| 226 | C | B | -1.4724 | |
| 227 | R | B | -2.0747 | |
| 228 | P | B | -0.5183 | |
| 229 | F | B | 1.2422 | |
| 230 | E | B | 0.3026 | |
| 231 | V | B | 2.5183 | |
| 232 | Y | B | 2.5492 | |
| 233 | L | B | 2.2191 | |
| 234 | P | B | 0.6576 | |
| 235 | S | B | -0.2876 | |
| 236 | G | B | -1.1050 | |
| 237 | K | B | -1.9081 | |
| 238 | M | B | -0.8222 | |
| 239 | R | B | -1.8503 | |
| 240 | P | B | -1.3963 | |
| 241 | R | B | -2.2553 | |
| 242 | S | B | -1.3995 | |
| 243 | L | B | -0.9657 | |
| 244 | E | B | -2.0869 | |
| 245 | V | B | -0.6922 | |
| 246 | T | B | -0.7465 | |
| 247 | I | B | -0.3235 | |
| 248 | S | B | -0.5349 | |
| 249 | T | B | -1.3159 | |
| 250 | G | B | -2.1037 | |
| 251 | E | B | -3.0216 | |
| 252 | K | B | -3.3196 | |
| 253 | A | B | -2.1111 | |
| 254 | P | B | -1.6201 | |
| 255 | A | B | -1.8224 | |
| 256 | N | B | -1.8042 | |
| 257 | P | B | -1.2774 | |
| 258 | E | B | -0.7141 | |
| 259 | I | B | 2.0378 | |
| 260 | L | B | 2.9166 | |
| 261 | L | B | 2.9716 | |
| 262 | T | B | 1.6594 | |
| 263 | L | B | 0.8054 | |
| 264 | E | B | -2.4580 | |
| 265 | E | B | -3.3642 | |
| 266 | K | B | -3.0204 | |
| 267 | T | B | -1.2290 | |
| 268 | A | B | -0.6051 | |
| 269 | A | B | -0.2007 | |
| 270 | N | B | -0.8436 | |
| 271 | L | B | -0.0162 | |
| 272 | D | B | -1.4091 | |
| 273 | S | B | -0.7706 | |
| 274 | A | B | -0.8650 | |
| 275 | T | B | -1.0506 | |
| 276 | E | B | -2.3982 | |
| 277 | P | B | -2.1148 | |
| 278 | R | B | -2.7787 | |
| 279 | A | B | -2.0827 | |
| 280 | R | B | -2.3814 | |
| 281 | P | B | -1.2788 | |
| 282 | T | B | -1.1300 | |
| 283 | P | B | -1.3396 | |
| 284 | D | B | -2.2686 | |
| 285 | G | B | -1.6633 | |
| 286 | G | B | -1.1596 | |
| 287 | A | B | -0.3734 | |
| 288 | S | B | -0.6488 | |
| 289 | A | B | -0.6596 | |
| 290 | D | B | -1.4373 | |
| 291 | L | B | -0.6502 | |
| 292 | K | B | -2.2649 | |
| 293 | E | B | -2.6276 | |
| 294 | G | B | -1.9388 | |
| 295 | P | B | -1.4204 | |
| 296 | G | B | -1.4596 | |
| 297 | N | B | -2.1081 | |
| 298 | P | B | -2.1176 | |
| 299 | E | B | -2.7525 | |
| 300 | H | B | -1.7318 | |
| 301 | S | B | -0.4357 | |
| 302 | V | B | 0.5252 | |
| 303 | T | B | -0.6436 | |
| 304 | G | B | -1.9002 | |
| 305 | R | B | -2.4999 | |
| 306 | P | B | -1.8375 | |
| 307 | P | B | -1.7034 | |
| 308 | D | B | -1.9965 | |
| 309 | T | B | -1.0504 | |
| 310 | A | B | -0.4070 | |
| 311 | A | B | -0.1050 | |
| 312 | S | B | -0.6877 | |
| 313 | P | B | -1.1303 | |
| 314 | R | B | -1.8811 | |
| 315 | C | B | -0.7837 | |
| 316 | H | B | -1.2298 | |
| 317 | A | B | -1.3153 | |
| 318 | Q | B | -2.4515 | |
| 319 | E | B | -3.0383 | |
| 320 | G | B | -2.5614 | |
| 321 | D | B | -2.1372 | |
| 322 | P | B | -0.7702 | |
| 323 | V | B | -0.1744 | |
| 324 | D | B | -1.9838 | |
| 325 | G | B | -1.7322 | |
| 326 | T | B | -0.3966 | |
| 327 | C | B | 0.7721 | |
| 328 | V | B | 0.7615 | |
| 329 | R | B | -1.7347 | |
| 330 | D | B | -2.3020 | |
| 331 | S | B | -1.2534 | |
| 332 | C | B | 0.5682 | |
| 333 | S | B | 0.8488 | |
| 334 | F | B | 1.4489 | |
| 335 | P | B | -0.0549 | |
| 336 | E | B | -1.0171 | |
| 337 | A | B | -0.0719 | |
| 338 | V | B | 1.0950 | |
| 339 | S | B | 0.0181 | |
| 340 | G | B | -0.7247 | |
| 341 | H | B | -1.6557 | |
| 342 | P | B | -1.4682 | |
| 343 | Q | B | -1.6064 | |
| 344 | A | B | -0.8237 | |
| 345 | S | B | -0.9422 | |
| 346 | G | B | -1.2281 | |
| 347 | S | B | -1.4682 | |
| 348 | R | B | -2.2457 | |
| 349 | S | B | -1.3941 | |
| 350 | P | B | -0.9539 | |
| 351 | G | B | -0.5757 | |
| 352 | C | B | -0.0441 | |
| 353 | P | B | -0.8903 | |
| 354 | R | B | -2.0552 | |
| 355 | C | B | -1.2710 | |
| 356 | Q | B | -2.4572 | |
| 357 | D | B | -3.0299 | |
| 358 | S | B | -2.5764 | |
| 359 | H | B | -3.4343 | |
| 360 | E | B | -4.0379 | |
| 361 | R | B | -3.9579 | |
| 362 | K | B | -3.5483 | |
| 363 | S | B | -2.0738 | |
| 364 | P | B | -1.1350 | |
| 365 | G | B | -0.6361 | |
| 366 | S | B | 0.1109 | |
| 367 | L | B | 0.9516 | |
| 368 | S | B | 0.0031 | |
| 369 | P | B | -0.5510 | |
| 370 | Q | B | -0.9715 | |
| 371 | P | B | -0.7886 | |
| 372 | L | B | -0.2319 | |
| 373 | P | B | -0.6661 | |
| 374 | Q | B | -1.7830 | |
| 375 | C | B | -1.5837 | |
| 376 | K | B | -2.8062 | |
| 377 | R | B | -2.6241 | |
| 378 | H | B | -1.1110 | |
| 379 | L | B | -0.2058 | |
| 380 | K | B | -1.6737 | |
| 381 | Q | B | -0.7708 | |
| 382 | V | B | -0.0353 | |
| 383 | Q | B | 0.0296 | |
| 384 | L | B | 0.7782 | |
| 385 | L | B | 0.1379 | |
| 386 | F | B | 0.0000 | |
| 387 | C | B | 0.0000 | |
| 388 | E | B | -3.5138 | |
| 389 | D | B | -4.0050 | |
| 390 | H | B | -3.8220 | |
| 391 | D | B | -3.9781 | |
| 392 | E | B | -2.8817 | |
| 393 | P | B | -0.9991 | |
| 394 | I | B | 0.0000 | |
| 395 | C | B | 0.0000 | |
| 396 | L | B | 1.7688 | |
| 397 | I | B | 1.7855 | |
| 398 | C | B | 0.0000 | |
| 399 | S | B | 0.2482 | |
| 400 | L | B | 1.1601 | |
| 401 | S | B | -0.4257 | |
| 402 | Q | B | -2.2596 | |
| 403 | E | B | -2.6489 | |
| 404 | H | B | -2.4513 | |
| 405 | Q | B | -2.4455 | |
| 406 | G | B | -2.0899 | |
| 407 | H | B | -3.0698 | |
| 408 | R | B | -3.1158 | |
| 409 | V | B | -1.9751 | |
| 410 | R | B | -1.2097 | |
| 411 | P | B | -0.7814 | |
| 412 | I | B | 0.0000 | |
| 413 | E | B | -2.0895 | |
| 414 | E | B | -1.9979 | |
| 415 | V | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | L | B | -0.7677 | |
| 418 | E | B | -1.6742 | |
| 419 | H | B | -1.9693 | |
| 420 | K | B | -2.0318 | |
| 421 | K | B | -2.8479 | |
| 422 | K | B | -2.7679 | |
| 423 | I | B | 0.0000 | |
| 424 | Q | B | -3.7602 | |
| 425 | K | B | -3.8061 | |
| 426 | Q | B | -3.2337 | |
| 427 | L | B | 0.0000 | |
| 428 | E | B | -3.8512 | |
| 429 | H | B | -3.3803 | |
| 430 | L | B | 0.0000 | |
| 431 | K | B | -3.4944 | |
| 432 | K | B | -3.7420 | |
| 433 | L | B | -2.1835 | |
| 434 | R | B | -2.9451 | |
| 435 | K | B | -3.8605 | |
| 436 | S | B | -2.8798 | |
| 437 | G | B | 0.0000 | |
| 438 | E | B | -3.1785 | |
| 439 | E | B | -3.5274 | |
| 440 | Q | B | -3.1898 | |
| 441 | R | B | -3.5150 | |
| 442 | S | B | -2.5367 | |
| 443 | Y | B | -1.9798 | |
| 444 | G | B | 0.0000 | |
| 445 | E | B | -3.5164 | |
| 446 | E | B | -2.7271 | |
| 447 | K | B | -1.6951 | |
| 448 | A | B | 0.0000 | |
| 449 | V | B | -1.2479 | |
| 450 | S | B | -1.4441 | |
| 451 | F | B | -0.9093 | |
| 452 | L | B | -1.4623 | |
| 453 | K | B | -2.3044 | |
| 454 | Q | B | -1.7581 | |
| 455 | T | B | 0.0000 | |
| 456 | E | B | -3.1629 | |
| 457 | A | B | -2.1277 | |
| 458 | L | B | 0.0000 | |
| 459 | K | B | -2.6079 | |
| 460 | Q | B | -2.6164 | |
| 461 | R | B | -2.6994 | |
| 462 | V | B | 0.0000 | |
| 463 | Q | B | -2.7872 | |
| 464 | R | B | -3.6267 | |
| 465 | K | B | -2.8929 | |
| 466 | L | B | 0.0000 | |
| 467 | E | B | -2.7099 | |
| 468 | Q | B | -2.2034 | |
| 469 | V | B | 0.0000 | |
| 470 | Y | B | -0.7835 | |
| 471 | Y | B | 0.0081 | |
| 472 | F | B | 0.0000 | |
| 473 | L | B | 0.0000 | |
| 474 | E | B | -1.2466 | |
| 475 | Q | B | -1.0880 | |
| 476 | Q | B | -1.1033 | |
| 477 | E | B | -1.0931 | |
| 478 | H | B | -1.2835 | |
| 479 | F | B | -0.2730 | |
| 480 | F | B | 0.0000 | |
| 481 | V | B | -1.2594 | |
| 482 | A | B | -1.0895 | |
| 483 | S | B | 0.0000 | |
| 484 | L | B | 0.0000 | |
| 485 | E | B | -3.1028 | |
| 486 | D | B | -3.0392 | |
| 487 | V | B | 0.0000 | |
| 488 | G | B | -2.3057 | |
| 489 | Q | B | -2.4885 | |
| 490 | M | B | -1.7817 | |
| 491 | V | B | 0.0000 | |
| 492 | G | B | 0.0000 | |
| 493 | Q | B | -1.9855 | |
| 494 | I | B | -1.0991 | |
| 495 | R | B | -2.0733 | |
| 496 | K | B | -2.6061 | |
| 497 | A | B | -1.6642 | |
| 498 | Y | B | 0.0000 | |
| 499 | D | B | -2.4040 | |
| 500 | T | B | -1.8979 | |
| 501 | R | B | -2.5823 | |
| 502 | V | B | 0.0000 | |
| 503 | S | B | -1.6657 | |
| 504 | Q | B | -1.8712 | |
| 505 | D | B | -1.2053 | |
| 506 | I | B | 0.0000 | |
| 507 | A | B | -0.7211 | |
| 508 | L | B | -0.1496 | |
| 509 | L | B | 0.0000 | |
| 510 | D | B | -1.2203 | |
| 511 | A | B | -0.5516 | |
| 512 | L | B | 0.0000 | |
| 513 | I | B | 0.0000 | |
| 514 | G | B | -1.3314 | |
| 515 | E | B | -1.3770 | |
| 516 | L | B | 0.0000 | |
| 517 | E | B | -2.0579 | |
| 518 | A | B | -1.1023 | |
| 519 | K | B | -1.6062 | |
| 520 | E | B | -1.4580 | |
| 521 | C | B | -0.3762 | |
| 522 | Q | B | -1.0998 | |
| 523 | S | B | -0.9737 | |
| 524 | E | B | -1.3907 | |
| 525 | W | B | -0.9592 | |
| 526 | E | B | -1.6198 | |
| 527 | L | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | Q | B | -2.4007 | |
| 530 | D | B | -2.9649 | |
| 531 | I | B | 0.0000 | |
| 532 | G | B | -2.3611 | |
| 533 | D | B | -3.1484 | |
| 534 | I | B | 0.0000 | |
| 535 | L | B | -2.1916 | |
| 536 | H | B | -2.6010 | |
| 537 | R | B | -2.2563 | |
| 538 | A | B | 0.0000 | |
| 539 | K | B | -2.5924 | |
| 540 | T | B | -1.1448 | |
| 541 | V | B | -0.3357 | |
| 542 | P | B | 0.2852 | |
| 543 | V | B | 1.1528 | |
| 544 | P | B | 0.0000 | |
| 545 | E | B | -1.7206 | |
| 546 | K | B | -2.1860 | |
| 547 | W | B | 0.0000 | |
| 548 | T | B | -0.8718 | |
| 549 | T | B | -0.9766 | |
| 550 | P | B | -1.3257 | |
| 551 | Q | B | -2.4419 | |
| 552 | E | B | -2.8470 | |
| 553 | I | B | 0.0000 | |
| 554 | K | B | -1.8981 | |
| 555 | Q | B | -1.8604 | |
| 556 | K | B | -2.1331 | |
| 557 | I | B | 0.0000 | |
| 558 | Q | B | -1.3781 | |
| 559 | L | B | -1.1922 | |
| 560 | L | B | 0.0000 | |
| 561 | H | B | -1.6066 | |
| 562 | Q | B | -2.0546 | |
| 563 | K | B | 0.0000 | |
| 564 | S | B | -2.2869 | |
| 565 | E | B | -2.9519 | |
| 566 | F | B | -1.8521 | |
| 567 | V | B | 0.0000 | |
| 568 | E | B | -3.3268 | |
| 569 | K | B | -2.2474 | |
| 570 | S | B | -1.3080 | |
| 571 | T | B | 0.0000 | |
| 572 | K | B | -2.0415 | |
| 573 | Y | B | -0.5599 | |
| 574 | F | B | 0.0000 | |
| 575 | S | B | 0.0000 | |
| 576 | E | B | -2.2752 | |
| 577 | T | B | -1.2540 | |
| 578 | L | B | 0.0000 | |
| 579 | R | B | -2.3488 | |
| 580 | S | B | -1.7476 | |
| 581 | E | B | -1.2944 | |
| 582 | M | B | 0.0000 | |
| 583 | E | B | -1.5138 | |
| 584 | M | B | -0.8559 | |
| 585 | F | B | -0.8014 | |
| 586 | N | B | -1.3354 | |
| 587 | V | B | 0.0000 | |
| 588 | P | B | -0.9562 | |
| 589 | E | B | -0.8991 | |
| 590 | L | B | 0.0000 | |
| 591 | I | B | 0.0206 | |
| 592 | G | B | -0.5814 | |
| 593 | A | B | 0.0000 | |
| 594 | Q | B | -0.3965 | |
| 595 | A | B | -0.2983 | |
| 596 | H | B | -0.5973 | |
| 597 | A | B | -0.6244 | |
| 598 | V | B | -0.3277 | |
| 599 | N | B | -0.8884 | |
| 600 | V | B | 0.0000 | |
| 601 | I | B | 0.1503 | |
| 602 | L | B | 0.0000 | |
| 603 | D | B | -0.8523 | |
| 604 | A | B | -0.9076 | |
| 605 | E | B | -2.4794 | |
| 606 | T | B | 0.0000 | |
| 607 | A | B | 0.0000 | |
| 608 | Y | B | 0.0000 | |
| 609 | P | B | 0.0000 | |
| 610 | N | B | 0.0000 | |
| 611 | L | B | 0.0000 | |
| 612 | I | B | -0.3100 | |
| 613 | F | B | -0.5565 | |
| 614 | S | B | -1.4277 | |
| 615 | D | B | -2.5138 | |
| 616 | D | B | -2.4179 | |
| 617 | L | B | -0.9663 | |
| 618 | K | B | -0.8621 | |
| 619 | S | B | -0.8152 | |
| 620 | V | B | 0.0000 | |
| 621 | R | B | -1.1953 | |
| 622 | L | B | -1.0486 | |
| 623 | G | B | 0.0000 | |
| 624 | N | B | -1.6275 | |
| 625 | K | B | -2.3764 | |
| 626 | W | B | -0.7513 | |
| 627 | E | B | -1.1026 | |
| 628 | R | B | -1.2365 | |
| 629 | L | B | -0.8284 | |
| 630 | P | B | -1.6059 | |
| 631 | D | B | -2.7796 | |
| 632 | G | B | -1.9740 | |
| 633 | P | B | -1.7499 | |
| 634 | Q | B | -2.2375 | |
| 635 | R | B | 0.0000 | |
| 636 | F | B | 0.0000 | |
| 637 | D | B | -2.5528 | |
| 638 | S | B | -1.8014 | |
| 639 | C | B | 0.0000 | |
| 640 | I | B | 0.0000 | |
| 641 | I | B | 0.0000 | |
| 642 | V | B | 0.0000 | |
| 643 | L | B | 0.0000 | |
| 644 | G | B | 0.0000 | |
| 645 | S | B | -0.2016 | |
| 646 | P | B | -0.2738 | |
| 647 | S | B | -0.0737 | |
| 648 | F | B | 0.0000 | |
| 649 | L | B | 1.0450 | |
| 650 | S | B | -0.1556 | |
| 651 | G | B | -0.7918 | |
| 652 | R | B | -1.2227 | |
| 653 | R | B | -1.0241 | |
| 654 | Y | B | 0.0000 | |
| 655 | W | B | 0.0000 | |
| 656 | E | B | 0.0000 | |
| 657 | V | B | 0.0000 | |
| 658 | E | B | -1.6249 | |
| 659 | V | B | 0.0000 | |
| 660 | G | B | -1.9546 | |
| 661 | D | B | -2.7719 | |
| 662 | K | B | 0.0000 | |
| 663 | T | B | 0.0000 | |
| 664 | A | B | -1.5861 | |
| 665 | W | B | 0.0000 | |
| 666 | I | B | 0.0000 | |
| 667 | L | B | 0.0000 | |
| 668 | G | B | 0.0000 | |
| 669 | A | B | 0.0000 | |
| 670 | C | B | 0.0000 | |
| 671 | K | B | -0.6765 | |
| 672 | T | B | -0.4521 | |
| 673 | S | B | -0.5620 | |
| 674 | I | B | 0.0000 | |
| 675 | S | B | -1.0918 | |
| 676 | R | B | -1.6579 | |
| 677 | K | B | -2.1211 | |
| 678 | G | B | -1.6925 | |
| 679 | N | B | -2.0350 | |
| 680 | M | B | -1.1944 | |
| 681 | T | B | -1.3651 | |
| 682 | L | B | 0.0000 | |
| 683 | S | B | 0.0000 | |
| 684 | P | B | -1.0682 | |
| 685 | E | B | -2.1168 | |
| 686 | N | B | -1.7777 | |
| 687 | G | B | 0.0000 | |
| 688 | Y | B | 0.0000 | |
| 689 | W | B | 0.0000 | |
| 690 | V | B | 0.0000 | |
| 691 | V | B | 0.0000 | |
| 692 | I | B | 0.0000 | |
| 693 | M | B | 0.0000 | |
| 694 | M | B | -1.3009 | |
| 695 | K | B | -3.0575 | |
| 696 | E | B | -3.4633 | |
| 697 | N | B | -2.9021 | |
| 698 | E | B | -2.3578 | |
| 699 | Y | B | 0.0000 | |
| 700 | Q | B | -0.7955 | |
| 701 | A | B | 0.0000 | |
| 702 | S | B | 0.0000 | |
| 703 | S | B | -0.1239 | |
| 704 | V | B | 0.2783 | |
| 705 | P | B | -0.2889 | |
| 706 | P | B | -0.6294 | |
| 707 | T | B | -0.7138 | |
| 708 | R | B | -1.7029 | |
| 709 | L | B | 0.0000 | |
| 710 | L | B | 0.2837 | |
| 711 | I | B | -0.8289 | |
| 712 | K | B | -1.9619 | |
| 713 | E | B | -2.0318 | |
| 714 | P | B | -2.1431 | |
| 715 | P | B | 0.0000 | |
| 716 | K | B | -2.2791 | |
| 717 | R | B | -1.5780 | |
| 718 | V | B | 0.0000 | |
| 719 | G | B | 0.0000 | |
| 720 | I | B | 0.0000 | |
| 721 | F | B | 0.0000 | |
| 722 | V | B | 0.0000 | |
| 723 | D | B | 0.0000 | |
| 724 | Y | B | -0.5390 | |
| 725 | R | B | -1.4080 | |
| 726 | V | B | -0.4886 | |
| 727 | G | B | 0.0000 | |
| 728 | S | B | 0.0000 | |
| 729 | I | B | 0.0000 | |
| 730 | S | B | 0.0000 | |
| 731 | F | B | 0.0000 | |
| 732 | Y | B | 0.0000 | |
| 733 | N | B | 0.0000 | |
| 734 | V | B | -0.3594 | |
| 735 | T | B | -0.7307 | |
| 736 | A | B | -0.8408 | |
| 737 | R | B | -0.4803 | |
| 738 | S | B | -0.5469 | |
| 739 | H | B | -0.4502 | |
| 740 | I | B | 0.3190 | |
| 741 | Y | B | -0.0222 | |
| 742 | T | B | -0.0744 | |
| 743 | F | B | 0.0000 | |
| 744 | A | B | -0.4726 | |
| 745 | S | B | -0.1971 | |
| 746 | C | B | -0.0962 | |
| 747 | S | B | -0.2534 | |
| 748 | F | B | -0.0365 | |
| 749 | S | B | -0.0904 | |
| 750 | G | B | -0.0843 | |
| 751 | P | B | 0.1858 | |
| 752 | L | B | 0.0000 | |
| 753 | Q | B | 0.0000 | |
| 754 | P | B | 0.0000 | |
| 755 | I | B | 0.0000 | |
| 756 | F | B | 0.0000 | |
| 757 | S | B | 0.0000 | |
| 758 | P | B | 0.0000 | |
| 759 | G | B | 0.0000 | |
| 760 | T | B | -1.3028 | |
| 761 | R | B | -2.3330 | |
| 762 | D | B | -2.7909 | |
| 763 | G | B | -2.0412 | |
| 764 | G | B | -2.1518 | |
| 765 | K | B | -2.9030 | |
| 766 | N | B | 0.0000 | |
| 767 | T | B | -1.5731 | |
| 768 | A | B | -1.1008 | |
| 769 | P | B | -0.7123 | |
| 770 | L | B | 0.0000 | |
| 771 | T | B | -0.5318 | |
| 772 | I | B | 0.0000 | |
| 773 | C | B | -0.4900 | |
| 774 | P | B | -0.6372 | |
| 775 | V | B | -0.5885 | |
| 776 | G | B | -0.9150 | |
| 777 | G | B | -1.0460 | |
| 778 | Q | B | -1.4351 | |
| 779 | G | B | -1.4594 | |
| 780 | P | B | -1.6738 | |
| 781 | D | B | -2.2134 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.9666 | 4.7622 | View | CSV | PDB |
| 4.5 | -1.0471 | 4.69 | View | CSV | PDB |
| 5.0 | -1.1477 | 4.5967 | View | CSV | PDB |
| 5.5 | -1.2485 | 4.4957 | View | CSV | PDB |
| 6.0 | -1.3293 | 4.3983 | View | CSV | PDB |
| 6.5 | -1.3758 | 4.3204 | View | CSV | PDB |
| 7.0 | -1.3863 | 4.2731 | View | CSV | PDB |
| 7.5 | -1.3719 | 4.2518 | View | CSV | PDB |
| 8.0 | -1.3443 | 4.244 | View | CSV | PDB |
| 8.5 | -1.3084 | 4.2414 | View | CSV | PDB |
| 9.0 | -1.2643 | 4.2406 | 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