| Chain sequence(s) |
A: MNETRYNATVQEQQTLSNPKAVGPDIDKLKDKFKEGSIPLQTDFNELIDIADIGRKACGQAPQQNGPGEGLKLADDGTLNLKIGTFSNKDFSPLILKDDVLSVDLGSGLTNETNGICVGQGDGITVNTSNVAVKQGNGISVTSSGGVAVKVSANKGLSVDSSGVAVKVNTDKGISVDGNGVAVKVNTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDSSGVAVKVKANGGIKVDANGVAIDPNNVLPKGVIVMFSGSTAPTGWALCDGNNGTPNLIDRFILGGKGTDINGVSTNTASGTKNSKLFDFSGGSGGNAVPNLRGDLQVLAQKVARTGGSGGKNKVTVPYYILAFIIKL
C: MNETRYNATVQEQQTLSNPKAVGPDIDKLKDKFKEGSIPLQTDFNELIDIADIGRKACGQAPQQNGPGEGLKLADDGTLNLKIGTFSNKDFSPLILKDDVLSVDLGSGLTNETNGICVGQGDGITVNTSNVAVKQGNGISVTSSGGVAVKVSANKGLSVDSSGVAVKVNTDKGISVDGNGVAVKVNTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDSSGVAVKVKANGGIKVDANGVAIDPNNVLPKGVIVMFSGSTAPTGWALCDGNNGTPNLIDRFILGGKGTDINGVSTNTASGTKNSKLFDFSGGSGGNAVPNLRGDLQVLAQKVARTGGSGGKNKVTVPYYILAFIIKL B: MNETRYNATVQEQQTLSNPKAVGPDIDKLKDKFKEGSIPLQTDFNELIDIADIGRKACGQAPQQNGPGEGLKLADDGTLNLKIGTFSNKDFSPLILKDDVLSVDLGSGLTNETNGICVGQGDGITVNTSNVAVKQGNGISVTSSGGVAVKVSANKGLSVDSSGVAVKVNTDKGISVDGNGVAVKVNTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDNTGVAVIANASKGISVDGSGVAVIANTSKGISVDGSGVAVIANTSKGISVDSSGVAVKVKANGGIKVDANGVAIDPNNVLPKGVIVMFSGSTAPTGWALCDGNNGTPNLIDRFILGGKGTDINGVSTNTASGTKNSKLFDFSGGSGGNAVPNLRGDLQVLAQKVARTGGSGGKNKVTVPYYILAFIIKL input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7249a178ae33d34/tmp/folded.pdb (00:14:28)
[INFO] Main: Simulation completed successfully. (00:23:23)
|
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 | -0.1122 | |
| 2 | N | A | -1.9401 | |
| 3 | E | A | -2.5488 | |
| 4 | T | A | -1.9173 | |
| 5 | R | A | -2.3862 | |
| 6 | Y | A | -0.5209 | |
| 7 | N | A | -0.9592 | |
| 8 | A | A | -0.1831 | |
| 9 | T | A | -0.0541 | |
| 10 | V | A | 0.1996 | |
| 11 | Q | A | -1.7496 | |
| 12 | E | A | -2.8649 | |
| 13 | Q | A | -3.2091 | |
| 14 | Q | A | -2.6407 | |
| 15 | T | A | -1.6308 | |
| 16 | L | A | -1.0931 | |
| 17 | S | A | -1.2489 | |
| 18 | N | A | -2.1941 | |
| 19 | P | A | -1.9689 | |
| 20 | K | A | -2.3718 | |
| 21 | A | A | -1.5210 | |
| 22 | V | A | -0.4308 | |
| 23 | G | A | -0.8870 | |
| 24 | P | A | -1.2727 | |
| 25 | D | A | -2.0769 | |
| 26 | I | A | -2.0182 | |
| 27 | D | A | -3.5003 | |
| 28 | K | A | -3.6702 | |
| 29 | L | A | 0.0000 | |
| 30 | K | A | -3.1087 | |
| 31 | D | A | -3.9269 | |
| 32 | K | A | -2.4034 | |
| 33 | F | A | 0.0000 | |
| 34 | K | A | -2.4367 | |
| 35 | E | A | -2.4027 | |
| 36 | G | A | -1.1355 | |
| 37 | S | A | -0.5257 | |
| 38 | I | A | 1.5160 | |
| 39 | P | A | 0.4282 | |
| 40 | L | A | 0.3980 | |
| 41 | Q | A | -1.2544 | |
| 42 | T | A | -0.7415 | |
| 43 | D | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | N | A | -1.4036 | |
| 46 | E | A | -1.0806 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | D | A | -0.9447 | |
| 50 | I | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | D | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | R | A | 0.0000 | |
| 56 | K | A | -1.1754 | |
| 57 | A | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | Q | A | -1.2784 | |
| 61 | A | A | 0.0000 | |
| 62 | P | A | -1.3794 | |
| 63 | Q | A | -1.9328 | |
| 64 | Q | A | -2.0693 | |
| 65 | N | A | -2.2760 | |
| 66 | G | A | 0.0000 | |
| 67 | P | A | -1.1810 | |
| 68 | G | A | 0.0000 | |
| 69 | E | A | -2.0828 | |
| 70 | G | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | K | A | -1.4607 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | -1.5566 | |
| 75 | D | A | -2.3788 | |
| 76 | D | A | -2.4166 | |
| 77 | G | A | -1.5531 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | N | A | -0.8894 | |
| 81 | L | A | 0.0000 | |
| 82 | K | A | -1.3063 | |
| 83 | I | A | -0.2836 | |
| 84 | G | A | -0.4607 | |
| 85 | T | A | -0.5454 | |
| 86 | F | A | -0.4965 | |
| 87 | S | A | -0.5286 | |
| 88 | N | A | -1.6475 | |
| 89 | K | A | -2.2082 | |
| 90 | D | A | -2.6491 | |
| 91 | F | A | -1.1692 | |
| 92 | S | A | 0.0000 | |
| 93 | P | A | 0.0414 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0446 | |
| 96 | L | A | -0.7334 | |
| 97 | K | A | -1.6699 | |
| 98 | D | A | -2.8366 | |
| 99 | D | A | -3.0243 | |
| 100 | V | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | S | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | D | A | -1.1932 | |
| 105 | L | A | 0.0000 | |
| 106 | G | A | -1.2871 | |
| 107 | S | A | -1.0460 | |
| 108 | G | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | T | A | -1.5020 | |
| 111 | N | A | -1.9082 | |
| 112 | E | A | -1.8710 | |
| 113 | T | A | -1.3019 | |
| 114 | N | A | -1.9122 | |
| 115 | G | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | Q | A | -1.6762 | |
| 121 | G | A | -1.2688 | |
| 122 | D | A | -1.6313 | |
| 123 | G | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | T | A | -1.0786 | |
| 126 | V | A | -0.7522 | |
| 127 | N | A | -1.0674 | |
| 128 | T | A | -0.7596 | |
| 129 | S | A | -1.1941 | |
| 130 | N | A | -1.1536 | |
| 131 | V | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -1.4154 | |
| 135 | Q | A | -1.8211 | |
| 136 | G | A | -1.6798 | |
| 137 | N | A | -2.1636 | |
| 138 | G | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | S | A | -0.9463 | |
| 141 | V | A | -0.9898 | |
| 142 | T | A | -0.7859 | |
| 143 | S | A | -1.0277 | |
| 144 | S | A | -0.6394 | |
| 145 | G | A | -0.9702 | |
| 146 | G | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | A | A | -1.2295 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | -0.9496 | |
| 151 | V | A | -0.5181 | |
| 152 | S | A | 0.0000 | |
| 153 | A | A | -1.1145 | |
| 154 | N | A | -2.6448 | |
| 155 | K | A | -2.2179 | |
| 156 | G | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | -0.9426 | |
| 159 | V | A | -1.0496 | |
| 160 | D | A | -2.1416 | |
| 161 | S | A | -1.6071 | |
| 162 | S | A | -1.0350 | |
| 163 | G | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | K | A | -1.8076 | |
| 168 | V | A | -1.1385 | |
| 169 | N | A | -1.7519 | |
| 170 | T | A | -1.7675 | |
| 171 | D | A | -2.7206 | |
| 172 | K | A | -2.1187 | |
| 173 | G | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | S | A | -0.8996 | |
| 176 | V | A | -1.4770 | |
| 177 | D | A | -2.3458 | |
| 178 | G | A | -2.1771 | |
| 179 | N | A | -2.4566 | |
| 180 | G | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | K | A | -1.2208 | |
| 185 | V | A | -0.5612 | |
| 186 | N | A | 0.0000 | |
| 187 | T | A | -0.6445 | |
| 188 | S | A | -1.0361 | |
| 189 | K | A | -1.0541 | |
| 190 | G | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | S | A | -0.5045 | |
| 193 | V | A | 0.0000 | |
| 194 | D | A | -2.3629 | |
| 195 | N | A | -2.6001 | |
| 196 | T | A | -1.5429 | |
| 197 | G | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | I | A | -0.0022 | |
| 202 | A | A | -0.1606 | |
| 203 | N | A | 0.0000 | |
| 204 | A | A | -0.4914 | |
| 205 | S | A | -1.0673 | |
| 206 | K | A | -1.1071 | |
| 207 | G | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | S | A | -0.4888 | |
| 210 | V | A | -0.8519 | |
| 211 | D | A | -2.0589 | |
| 212 | G | A | -1.4910 | |
| 213 | S | A | -1.0221 | |
| 214 | G | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | I | A | -0.0054 | |
| 219 | A | A | -0.2090 | |
| 220 | N | A | 0.0000 | |
| 221 | T | A | -0.8989 | |
| 222 | S | A | -1.6301 | |
| 223 | K | A | -1.5021 | |
| 224 | G | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | S | A | -0.6625 | |
| 227 | V | A | -0.8786 | |
| 228 | D | A | -2.1085 | |
| 229 | G | A | -1.4881 | |
| 230 | S | A | -1.1059 | |
| 231 | G | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | I | A | -0.1945 | |
| 236 | A | A | -0.1091 | |
| 237 | N | A | 0.0000 | |
| 238 | T | A | -0.6085 | |
| 239 | S | A | -1.1578 | |
| 240 | K | A | -1.2320 | |
| 241 | G | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | S | A | -0.3135 | |
| 244 | V | A | -0.6662 | |
| 245 | D | A | -1.6735 | |
| 246 | N | A | -1.9400 | |
| 247 | T | A | -1.0855 | |
| 248 | G | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | I | A | -0.0179 | |
| 253 | A | A | -0.1152 | |
| 254 | N | A | 0.0000 | |
| 255 | A | A | -0.5971 | |
| 256 | S | A | -1.3133 | |
| 257 | K | A | -1.3803 | |
| 258 | G | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | S | A | -0.3844 | |
| 261 | V | A | -0.6865 | |
| 262 | D | A | -1.9177 | |
| 263 | G | A | -1.4411 | |
| 264 | S | A | -0.9905 | |
| 265 | G | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | I | A | -0.0941 | |
| 270 | A | A | -0.1741 | |
| 271 | N | A | 0.0000 | |
| 272 | T | A | -0.5575 | |
| 273 | S | A | -1.0863 | |
| 274 | K | A | -1.2355 | |
| 275 | G | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | S | A | -0.4132 | |
| 278 | V | A | -0.7097 | |
| 279 | D | A | -1.8451 | |
| 280 | G | A | -1.3627 | |
| 281 | S | A | -0.9741 | |
| 282 | G | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | I | A | -0.0461 | |
| 287 | A | A | -0.2335 | |
| 288 | N | A | -0.5769 | |
| 289 | T | A | -0.8180 | |
| 290 | S | A | -1.1761 | |
| 291 | K | A | -1.6212 | |
| 292 | G | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | S | A | -0.7314 | |
| 295 | V | A | -0.8122 | |
| 296 | D | A | -1.7375 | |
| 297 | S | A | -1.1207 | |
| 298 | S | A | -0.8586 | |
| 299 | G | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | K | A | -1.3274 | |
| 304 | V | A | -1.1113 | |
| 305 | K | A | -1.6810 | |
| 306 | A | A | -1.2412 | |
| 307 | N | A | -1.6892 | |
| 308 | G | A | -1.4434 | |
| 309 | G | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | K | A | -2.1728 | |
| 312 | V | A | -1.6516 | |
| 313 | D | A | -1.8607 | |
| 314 | A | A | -1.2963 | |
| 315 | N | A | -1.8263 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | D | A | 0.0000 | |
| 321 | P | A | -0.7072 | |
| 322 | N | A | -0.4095 | |
| 323 | N | A | -0.7629 | |
| 324 | V | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | P | A | -0.7467 | |
| 327 | K | A | -1.2946 | |
| 328 | G | A | -0.5602 | |
| 329 | V | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | F | A | -0.1399 | |
| 334 | S | A | -0.5249 | |
| 335 | G | A | -0.7627 | |
| 336 | S | A | -0.8458 | |
| 337 | T | A | -0.3923 | |
| 338 | A | A | -0.0390 | |
| 339 | P | A | -0.3284 | |
| 340 | T | A | -0.0418 | |
| 341 | G | A | -0.1105 | |
| 342 | W | A | 0.0000 | |
| 343 | A | A | 0.0611 | |
| 344 | L | A | -0.5135 | |
| 345 | C | A | 0.0000 | |
| 346 | D | A | -1.5804 | |
| 347 | G | A | -1.8553 | |
| 348 | N | A | -2.4081 | |
| 349 | N | A | -2.1908 | |
| 350 | G | A | -1.7300 | |
| 351 | T | A | -1.2517 | |
| 352 | P | A | -1.3172 | |
| 353 | N | A | -1.6015 | |
| 354 | L | A | 0.0000 | |
| 355 | I | A | -0.6664 | |
| 356 | D | A | -0.7300 | |
| 357 | R | A | -0.4797 | |
| 358 | F | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | K | A | -1.9744 | |
| 364 | G | A | -1.5372 | |
| 365 | T | A | -1.1657 | |
| 366 | D | A | -1.7397 | |
| 367 | I | A | 0.0000 | |
| 368 | N | A | -1.6983 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | -0.6052 | |
| 371 | S | A | 0.0000 | |
| 372 | T | A | -0.1956 | |
| 373 | N | A | 0.0000 | |
| 374 | T | A | -0.2295 | |
| 375 | A | A | -0.2366 | |
| 376 | S | A | -0.4682 | |
| 377 | G | A | -0.8958 | |
| 378 | T | A | -1.2059 | |
| 379 | K | A | -2.1205 | |
| 380 | N | A | -1.7908 | |
| 381 | S | A | -1.0938 | |
| 382 | K | A | 0.0000 | |
| 383 | L | A | -0.4101 | |
| 384 | F | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | S | A | -1.6366 | |
| 388 | G | A | -1.7847 | |
| 389 | G | A | -1.3612 | |
| 390 | S | A | -1.4235 | |
| 391 | G | A | -1.6847 | |
| 392 | G | A | -1.4981 | |
| 393 | N | A | -1.8852 | |
| 394 | A | A | -0.8491 | |
| 395 | V | A | -0.5995 | |
| 396 | P | A | -1.2299 | |
| 397 | N | A | -1.5885 | |
| 398 | L | A | -1.7314 | |
| 399 | R | A | -2.5151 | |
| 400 | G | A | -1.8848 | |
| 401 | D | A | -1.8567 | |
| 402 | L | A | -1.1775 | |
| 403 | Q | A | -1.5888 | |
| 404 | V | A | -0.3967 | |
| 405 | L | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | Q | A | -1.3732 | |
| 408 | K | A | -1.2786 | |
| 409 | V | A | -0.5045 | |
| 410 | A | A | -1.2301 | |
| 411 | R | A | -2.5946 | |
| 412 | T | A | -1.7138 | |
| 413 | G | A | -1.8845 | |
| 414 | G | A | -1.9105 | |
| 415 | S | A | -1.4673 | |
| 416 | G | A | -1.7066 | |
| 417 | G | A | -2.2387 | |
| 418 | K | A | -2.9301 | |
| 419 | N | A | -2.8779 | |
| 420 | K | A | -1.9530 | |
| 421 | V | A | -0.8650 | |
| 422 | T | A | -0.2589 | |
| 423 | V | A | 0.0000 | |
| 424 | P | A | 0.0000 | |
| 425 | Y | A | 0.0000 | |
| 426 | Y | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | K | A | 0.0000 | |
| 434 | L | A | 0.8456 | |
| 1 | M | B | -0.1113 | |
| 2 | N | B | -1.9402 | |
| 3 | E | B | -2.5482 | |
| 4 | T | B | -1.9176 | |
| 5 | R | B | -2.3814 | |
| 6 | Y | B | -0.5384 | |
| 7 | N | B | -0.9769 | |
| 8 | A | B | -0.1075 | |
| 9 | T | B | 0.1300 | |
| 10 | V | B | 0.4988 | |
| 11 | Q | B | -1.1797 | |
| 12 | E | B | -2.4532 | |
| 13 | Q | B | -2.7561 | |
| 14 | Q | B | -2.4089 | |
| 15 | T | B | -1.5401 | |
| 16 | L | B | -1.1053 | |
| 17 | S | B | -1.1873 | |
| 18 | N | B | -2.1825 | |
| 19 | P | B | -1.9879 | |
| 20 | K | B | -2.2585 | |
| 21 | A | B | -1.5181 | |
| 22 | V | B | -0.5343 | |
| 23 | G | B | -0.8653 | |
| 24 | P | B | -1.2309 | |
| 25 | D | B | -2.0399 | |
| 26 | I | B | -1.9778 | |
| 27 | D | B | -3.4757 | |
| 28 | K | B | -3.6507 | |
| 29 | L | B | 0.0000 | |
| 30 | K | B | -3.0940 | |
| 31 | D | B | -3.9227 | |
| 32 | K | B | -2.3376 | |
| 33 | F | B | 0.0000 | |
| 34 | K | B | -2.4905 | |
| 35 | E | B | -2.4633 | |
| 36 | G | B | -1.1585 | |
| 37 | S | B | -0.4926 | |
| 38 | I | B | 1.5691 | |
| 39 | P | B | 0.5191 | |
| 40 | L | B | 0.5738 | |
| 41 | Q | B | -1.1987 | |
| 42 | T | B | -0.6880 | |
| 43 | D | B | 0.0000 | |
| 44 | F | B | 0.0000 | |
| 45 | N | B | -1.4145 | |
| 46 | E | B | -1.0753 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | D | B | -1.0521 | |
| 50 | I | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | D | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | G | B | 0.0000 | |
| 55 | R | B | 0.0000 | |
| 56 | K | B | -1.1147 | |
| 57 | A | B | 0.0000 | |
| 58 | C | B | 0.0000 | |
| 59 | G | B | 0.0000 | |
| 60 | Q | B | -1.2732 | |
| 61 | A | B | 0.0000 | |
| 62 | P | B | -1.3674 | |
| 63 | Q | B | -2.1087 | |
| 64 | Q | B | -2.1012 | |
| 65 | N | B | -2.3143 | |
| 66 | G | B | 0.0000 | |
| 67 | P | B | -1.2705 | |
| 68 | G | B | 0.0000 | |
| 69 | E | B | -2.0499 | |
| 70 | G | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | K | B | -1.6164 | |
| 73 | L | B | 0.0000 | |
| 74 | A | B | -1.6099 | |
| 75 | D | B | -2.4129 | |
| 76 | D | B | -2.3051 | |
| 77 | G | B | -1.5171 | |
| 78 | T | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | N | B | -1.0320 | |
| 81 | L | B | 0.0000 | |
| 82 | K | B | -1.3722 | |
| 83 | I | B | -0.2696 | |
| 84 | G | B | -0.3361 | |
| 85 | T | B | -0.3202 | |
| 86 | F | B | -0.7523 | |
| 87 | S | B | -0.9069 | |
| 88 | N | B | -2.0022 | |
| 89 | K | B | -2.7921 | |
| 90 | D | B | -2.9921 | |
| 91 | F | B | -1.3721 | |
| 92 | S | B | 0.0000 | |
| 93 | P | B | 0.0105 | |
| 94 | L | B | 0.0000 | |
| 95 | I | B | 0.1186 | |
| 96 | L | B | -0.5910 | |
| 97 | K | B | -1.4186 | |
| 98 | D | B | -2.4239 | |
| 99 | D | B | -2.7957 | |
| 100 | V | B | -1.0982 | |
| 101 | L | B | 0.0000 | |
| 102 | S | B | 0.0000 | |
| 103 | V | B | 0.0000 | |
| 104 | D | B | -1.1021 | |
| 105 | L | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | S | B | -1.0183 | |
| 108 | G | B | 0.0000 | |
| 109 | L | B | 0.0000 | |
| 110 | T | B | -1.3658 | |
| 111 | N | B | -1.7308 | |
| 112 | E | B | -1.7626 | |
| 113 | T | B | -1.2446 | |
| 114 | N | B | -1.9070 | |
| 115 | G | B | 0.0000 | |
| 116 | I | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | G | B | 0.0000 | |
| 120 | Q | B | -1.6658 | |
| 121 | G | B | -1.2711 | |
| 122 | D | B | -1.6195 | |
| 123 | G | B | 0.0000 | |
| 124 | I | B | 0.0000 | |
| 125 | T | B | -1.0385 | |
| 126 | V | B | -0.7155 | |
| 127 | N | B | -0.9910 | |
| 128 | T | B | -0.8500 | |
| 129 | S | B | -1.1512 | |
| 130 | N | B | -1.1172 | |
| 131 | V | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | K | B | -1.3770 | |
| 135 | Q | B | -1.6898 | |
| 136 | G | B | -1.4496 | |
| 137 | N | B | -1.7017 | |
| 138 | G | B | 0.0000 | |
| 139 | I | B | 0.0000 | |
| 140 | S | B | -0.8889 | |
| 141 | V | B | -0.9526 | |
| 142 | T | B | -0.7419 | |
| 143 | S | B | -0.9743 | |
| 144 | S | B | -0.6367 | |
| 145 | G | B | -1.0314 | |
| 146 | G | B | 0.0000 | |
| 147 | V | B | 0.0000 | |
| 148 | A | B | -1.3035 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | -0.9289 | |
| 151 | V | B | -0.5048 | |
| 152 | S | B | 0.0000 | |
| 153 | A | B | -1.0307 | |
| 154 | N | B | -2.4025 | |
| 155 | K | B | -2.0592 | |
| 156 | G | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | S | B | -0.9252 | |
| 159 | V | B | -1.0888 | |
| 160 | D | B | -2.1452 | |
| 161 | S | B | -1.6437 | |
| 162 | S | B | -1.0485 | |
| 163 | G | B | 0.0000 | |
| 164 | V | B | 0.0000 | |
| 165 | A | B | -0.8655 | |
| 166 | V | B | 0.0000 | |
| 167 | K | B | -1.6982 | |
| 168 | V | B | -1.1031 | |
| 169 | N | B | -1.8470 | |
| 170 | T | B | -2.0275 | |
| 171 | D | B | -3.2507 | |
| 172 | K | B | -2.5388 | |
| 173 | G | B | 0.0000 | |
| 174 | I | B | 0.0000 | |
| 175 | S | B | -1.0829 | |
| 176 | V | B | -1.7518 | |
| 177 | D | B | -2.9665 | |
| 178 | G | B | -2.4399 | |
| 179 | N | B | -2.6644 | |
| 180 | G | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | A | B | -1.1131 | |
| 183 | V | B | 0.0000 | |
| 184 | K | B | -1.3140 | |
| 185 | V | B | -0.6457 | |
| 186 | N | B | -1.0733 | |
| 187 | T | B | -0.8820 | |
| 188 | S | B | -1.4204 | |
| 189 | K | B | -1.4826 | |
| 190 | G | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | S | B | -0.4564 | |
| 193 | V | B | 0.0000 | |
| 194 | D | B | -2.0443 | |
| 195 | N | B | -2.4723 | |
| 196 | T | B | -1.4136 | |
| 197 | G | B | 0.0000 | |
| 198 | V | B | 0.0000 | |
| 199 | A | B | 0.0000 | |
| 200 | V | B | 0.0000 | |
| 201 | I | B | -0.1124 | |
| 202 | A | B | -0.0558 | |
| 203 | N | B | 0.0000 | |
| 204 | A | B | -0.5253 | |
| 205 | S | B | -1.1719 | |
| 206 | K | B | -1.2569 | |
| 207 | G | B | 0.0000 | |
| 208 | I | B | 0.0000 | |
| 209 | S | B | -0.2437 | |
| 210 | V | B | -0.3737 | |
| 211 | D | B | -1.2622 | |
| 212 | G | B | -1.1211 | |
| 213 | S | B | -0.7770 | |
| 214 | G | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | V | B | 0.0000 | |
| 218 | I | B | -0.0312 | |
| 219 | A | B | -0.1132 | |
| 220 | N | B | 0.0000 | |
| 221 | T | B | -0.8746 | |
| 222 | S | B | -1.5910 | |
| 223 | K | B | -1.5768 | |
| 224 | G | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | S | B | -0.2960 | |
| 227 | V | B | -0.4138 | |
| 228 | D | B | -1.3134 | |
| 229 | G | B | -1.1270 | |
| 230 | S | B | -0.7994 | |
| 231 | G | B | 0.0000 | |
| 232 | V | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | I | B | -0.1479 | |
| 236 | A | B | -0.1209 | |
| 237 | N | B | 0.0000 | |
| 238 | T | B | -0.6566 | |
| 239 | S | B | -1.2781 | |
| 240 | K | B | -1.3777 | |
| 241 | G | B | 0.0000 | |
| 242 | I | B | 0.0000 | |
| 243 | S | B | -0.3735 | |
| 244 | V | B | -0.7811 | |
| 245 | D | B | -2.0727 | |
| 246 | N | B | -2.1126 | |
| 247 | T | B | -1.2180 | |
| 248 | G | B | 0.0000 | |
| 249 | V | B | 0.0000 | |
| 250 | A | B | -0.2914 | |
| 251 | V | B | 0.0000 | |
| 252 | I | B | -0.0589 | |
| 253 | A | B | -0.1098 | |
| 254 | N | B | 0.0000 | |
| 255 | A | B | -0.5983 | |
| 256 | S | B | -1.3048 | |
| 257 | K | B | -1.3904 | |
| 258 | G | B | 0.0000 | |
| 259 | I | B | 0.0000 | |
| 260 | S | B | -0.3712 | |
| 261 | V | B | -0.6486 | |
| 262 | D | B | -1.6938 | |
| 263 | G | B | -1.2957 | |
| 264 | S | B | -0.8865 | |
| 265 | G | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | A | B | 0.0000 | |
| 268 | V | B | 0.0000 | |
| 269 | I | B | -0.0948 | |
| 270 | A | B | -0.2205 | |
| 271 | N | B | 0.0000 | |
| 272 | T | B | -0.5752 | |
| 273 | S | B | -1.1036 | |
| 274 | K | B | -1.2664 | |
| 275 | G | B | 0.0000 | |
| 276 | I | B | 0.0000 | |
| 277 | S | B | -0.5097 | |
| 278 | V | B | -0.9172 | |
| 279 | D | B | -2.2242 | |
| 280 | G | B | -1.5500 | |
| 281 | S | B | -1.1301 | |
| 282 | G | B | 0.0000 | |
| 283 | V | B | 0.0000 | |
| 284 | A | B | -0.4156 | |
| 285 | V | B | 0.0000 | |
| 286 | I | B | -0.0074 | |
| 287 | A | B | -0.1819 | |
| 288 | N | B | 0.0000 | |
| 289 | T | B | -0.7875 | |
| 290 | S | B | -1.1872 | |
| 291 | K | B | -1.7475 | |
| 292 | G | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | S | B | -0.7161 | |
| 295 | V | B | -0.8211 | |
| 296 | D | B | -1.7614 | |
| 297 | S | B | -1.1408 | |
| 298 | S | B | -0.8861 | |
| 299 | G | B | 0.0000 | |
| 300 | V | B | 0.0000 | |
| 301 | A | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | K | B | -1.3123 | |
| 304 | V | B | -1.1279 | |
| 305 | K | B | -1.6771 | |
| 306 | A | B | -1.2407 | |
| 307 | N | B | -1.6795 | |
| 308 | G | B | -1.4459 | |
| 309 | G | B | 0.0000 | |
| 310 | I | B | 0.0000 | |
| 311 | K | B | -2.1568 | |
| 312 | V | B | -1.5956 | |
| 313 | D | B | -1.8024 | |
| 314 | A | B | -1.2772 | |
| 315 | N | B | -1.7936 | |
| 316 | G | B | 0.0000 | |
| 317 | V | B | 0.0000 | |
| 318 | A | B | 0.0000 | |
| 319 | I | B | 0.0000 | |
| 320 | D | B | 0.0000 | |
| 321 | P | B | -0.7128 | |
| 322 | N | B | -0.4315 | |
| 323 | N | B | -0.7565 | |
| 324 | V | B | 0.0000 | |
| 325 | L | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | K | B | -1.2695 | |
| 328 | G | B | -0.5174 | |
| 329 | V | B | 0.0000 | |
| 330 | I | B | 0.0000 | |
| 331 | V | B | 0.0000 | |
| 332 | M | B | 0.0000 | |
| 333 | F | B | 0.0000 | |
| 334 | S | B | -0.6032 | |
| 335 | G | B | -0.8253 | |
| 336 | S | B | -0.8883 | |
| 337 | T | B | -0.4242 | |
| 338 | A | B | -0.0658 | |
| 339 | P | B | -0.3576 | |
| 340 | T | B | -0.0489 | |
| 341 | G | B | 0.0162 | |
| 342 | W | B | 0.0000 | |
| 343 | A | B | 0.0596 | |
| 344 | L | B | -0.5593 | |
| 345 | C | B | 0.0000 | |
| 346 | D | B | -1.6856 | |
| 347 | G | B | -1.8978 | |
| 348 | N | B | -2.4276 | |
| 349 | N | B | -2.1971 | |
| 350 | G | B | -1.7422 | |
| 351 | T | B | -1.2696 | |
| 352 | P | B | -1.3370 | |
| 353 | N | B | -1.6639 | |
| 354 | L | B | 0.0000 | |
| 355 | I | B | -0.7856 | |
| 356 | D | B | -0.8172 | |
| 357 | R | B | -0.5167 | |
| 358 | F | B | 0.0000 | |
| 359 | I | B | 0.0000 | |
| 360 | L | B | 0.0000 | |
| 361 | G | B | 0.0000 | |
| 362 | G | B | 0.0000 | |
| 363 | K | B | -1.9737 | |
| 364 | G | B | -1.5455 | |
| 365 | T | B | -1.1692 | |
| 366 | D | B | -1.7783 | |
| 367 | I | B | 0.0000 | |
| 368 | N | B | -1.7161 | |
| 369 | G | B | 0.0000 | |
| 370 | V | B | -0.6658 | |
| 371 | S | B | 0.0000 | |
| 372 | T | B | -0.2325 | |
| 373 | N | B | 0.0000 | |
| 374 | T | B | -0.2703 | |
| 375 | A | B | -0.3315 | |
| 376 | S | B | -0.5347 | |
| 377 | G | B | -0.8822 | |
| 378 | T | B | -1.0963 | |
| 379 | K | B | -1.9827 | |
| 380 | N | B | -1.5291 | |
| 381 | S | B | -0.9799 | |
| 382 | K | B | 0.0000 | |
| 383 | L | B | -0.6033 | |
| 384 | F | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | F | B | 0.0000 | |
| 387 | S | B | -1.6598 | |
| 388 | G | B | -1.8035 | |
| 389 | G | B | -1.3397 | |
| 390 | S | B | -1.2881 | |
| 391 | G | B | -1.6692 | |
| 392 | G | B | -1.4709 | |
| 393 | N | B | -1.6867 | |
| 394 | A | B | -0.7544 | |
| 395 | V | B | -0.6007 | |
| 396 | P | B | -1.1964 | |
| 397 | N | B | -1.5285 | |
| 398 | L | B | -1.6359 | |
| 399 | R | B | -2.4535 | |
| 400 | G | B | -1.8458 | |
| 401 | D | B | -1.6533 | |
| 402 | L | B | -0.9622 | |
| 403 | Q | B | -1.3026 | |
| 404 | V | B | 0.1088 | |
| 405 | L | B | 0.0000 | |
| 406 | A | B | 0.0000 | |
| 407 | Q | B | -1.1251 | |
| 408 | K | B | -1.1210 | |
| 409 | V | B | -0.4741 | |
| 410 | A | B | -1.1913 | |
| 411 | R | B | -2.5404 | |
| 412 | T | B | -1.7277 | |
| 413 | G | B | -1.8783 | |
| 414 | G | B | -1.8958 | |
| 415 | S | B | -1.4609 | |
| 416 | G | B | -1.7632 | |
| 417 | G | B | -2.2136 | |
| 418 | K | B | -3.0039 | |
| 419 | N | B | -2.9958 | |
| 420 | K | B | -2.2124 | |
| 421 | V | B | 0.0000 | |
| 422 | T | B | -0.3813 | |
| 423 | V | B | 0.0000 | |
| 424 | P | B | 0.0000 | |
| 425 | Y | B | 0.0000 | |
| 426 | Y | B | 0.0000 | |
| 427 | I | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | A | B | 0.0000 | |
| 430 | F | B | 0.0000 | |
| 431 | I | B | 0.0000 | |
| 432 | I | B | 0.0000 | |
| 433 | K | B | 0.0000 | |
| 434 | L | B | 0.8556 | |
| 1 | M | C | -0.1073 | |
| 2 | N | C | -1.9477 | |
| 3 | E | C | -2.5547 | |
| 4 | T | C | -1.9317 | |
| 5 | R | C | -2.3994 | |
| 6 | Y | C | -0.5433 | |
| 7 | N | C | -0.9774 | |
| 8 | A | C | -0.1395 | |
| 9 | T | C | 0.0226 | |
| 10 | V | C | 0.2904 | |
| 11 | Q | C | -1.6042 | |
| 12 | E | C | -2.7323 | |
| 13 | Q | C | -2.9281 | |
| 14 | Q | C | -2.5206 | |
| 15 | T | C | -1.7375 | |
| 16 | L | C | -1.0164 | |
| 17 | S | C | -1.1182 | |
| 18 | N | C | -2.1344 | |
| 19 | P | C | -1.9516 | |
| 20 | K | C | -2.2600 | |
| 21 | A | C | -1.5342 | |
| 22 | V | C | -0.5314 | |
| 23 | G | C | -0.8747 | |
| 24 | P | C | -1.2843 | |
| 25 | D | C | -2.1304 | |
| 26 | I | C | -2.0312 | |
| 27 | D | C | -3.5024 | |
| 28 | K | C | -3.6778 | |
| 29 | L | C | 0.0000 | |
| 30 | K | C | -3.0962 | |
| 31 | D | C | -3.9025 | |
| 32 | K | C | -2.3780 | |
| 33 | F | C | 0.0000 | |
| 34 | K | C | -2.4609 | |
| 35 | E | C | -2.4397 | |
| 36 | G | C | -1.1548 | |
| 37 | S | C | -0.5258 | |
| 38 | I | C | 1.5072 | |
| 39 | P | C | 0.4053 | |
| 40 | L | C | 0.3519 | |
| 41 | Q | C | -1.3040 | |
| 42 | T | C | -0.7452 | |
| 43 | D | C | 0.0000 | |
| 44 | F | C | 0.0000 | |
| 45 | N | C | -1.3425 | |
| 46 | E | C | -1.0049 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | D | C | -0.8953 | |
| 50 | I | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | D | C | 0.0000 | |
| 53 | I | C | 0.0000 | |
| 54 | G | C | 0.0000 | |
| 55 | R | C | 0.0000 | |
| 56 | K | C | -1.0102 | |
| 57 | A | C | 0.0000 | |
| 58 | C | C | 0.0000 | |
| 59 | G | C | 0.0000 | |
| 60 | Q | C | -1.2517 | |
| 61 | A | C | 0.0000 | |
| 62 | P | C | -1.3497 | |
| 63 | Q | C | -1.9347 | |
| 64 | Q | C | -2.0424 | |
| 65 | N | C | -2.2711 | |
| 66 | G | C | 0.0000 | |
| 67 | P | C | -1.2085 | |
| 68 | G | C | 0.0000 | |
| 69 | E | C | -1.8647 | |
| 70 | G | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | K | C | -1.5703 | |
| 73 | L | C | 0.0000 | |
| 74 | A | C | -1.6387 | |
| 75 | D | C | -2.4042 | |
| 76 | D | C | -2.4070 | |
| 77 | G | C | -1.5790 | |
| 78 | T | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | N | C | -0.9892 | |
| 81 | L | C | 0.0000 | |
| 82 | K | C | -1.3756 | |
| 83 | I | C | -0.3003 | |
| 84 | G | C | -0.4712 | |
| 85 | T | C | -0.4727 | |
| 86 | F | C | -0.7373 | |
| 87 | S | C | -0.8184 | |
| 88 | N | C | -1.9378 | |
| 89 | K | C | -2.6436 | |
| 90 | D | C | -2.9186 | |
| 91 | F | C | -1.3726 | |
| 92 | S | C | 0.0000 | |
| 93 | P | C | -0.0394 | |
| 94 | L | C | 0.0000 | |
| 95 | I | C | 0.0781 | |
| 96 | L | C | -0.6709 | |
| 97 | K | C | -1.5683 | |
| 98 | D | C | -2.8161 | |
| 99 | D | C | -2.9946 | |
| 100 | V | C | -1.0570 | |
| 101 | L | C | 0.0000 | |
| 102 | S | C | 0.0000 | |
| 103 | V | C | 0.0000 | |
| 104 | D | C | -1.2345 | |
| 105 | L | C | 0.0000 | |
| 106 | G | C | -1.3056 | |
| 107 | S | C | -1.0562 | |
| 108 | G | C | 0.0000 | |
| 109 | L | C | 0.0000 | |
| 110 | T | C | -1.5463 | |
| 111 | N | C | -1.9420 | |
| 112 | E | C | -1.8616 | |
| 113 | T | C | -1.2901 | |
| 114 | N | C | -1.8613 | |
| 115 | G | C | 0.0000 | |
| 116 | I | C | 0.0000 | |
| 117 | C | C | 0.0000 | |
| 118 | V | C | 0.0000 | |
| 119 | G | C | 0.0000 | |
| 120 | Q | C | -1.7196 | |
| 121 | G | C | -1.3649 | |
| 122 | D | C | -1.7974 | |
| 123 | G | C | 0.0000 | |
| 124 | I | C | 0.0000 | |
| 125 | T | C | -1.0811 | |
| 126 | V | C | -0.7397 | |
| 127 | N | C | -1.0484 | |
| 128 | T | C | -0.7344 | |
| 129 | S | C | -1.1016 | |
| 130 | N | C | -1.1151 | |
| 131 | V | C | 0.0000 | |
| 132 | A | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | K | C | -1.4032 | |
| 135 | Q | C | -1.7548 | |
| 136 | G | C | -1.5918 | |
| 137 | N | C | -1.9969 | |
| 138 | G | C | 0.0000 | |
| 139 | I | C | 0.0000 | |
| 140 | S | C | -0.8729 | |
| 141 | V | C | -0.9489 | |
| 142 | T | C | -0.7317 | |
| 143 | S | C | -0.9630 | |
| 144 | S | C | -0.6200 | |
| 145 | G | C | -0.9062 | |
| 146 | G | C | 0.0000 | |
| 147 | V | C | 0.0000 | |
| 148 | A | C | 0.0000 | |
| 149 | V | C | 0.0000 | |
| 150 | K | C | -0.9008 | |
| 151 | V | C | -0.5543 | |
| 152 | S | C | 0.0000 | |
| 153 | A | C | -1.0834 | |
| 154 | N | C | -2.4893 | |
| 155 | K | C | -2.2195 | |
| 156 | G | C | 0.0000 | |
| 157 | L | C | 0.0000 | |
| 158 | S | C | -0.9707 | |
| 159 | V | C | -1.0227 | |
| 160 | D | C | -2.0616 | |
| 161 | S | C | -1.5075 | |
| 162 | S | C | -0.9885 | |
| 163 | G | C | 0.0000 | |
| 164 | V | C | 0.0000 | |
| 165 | A | C | -0.8903 | |
| 166 | V | C | 0.0000 | |
| 167 | K | C | -1.7106 | |
| 168 | V | C | -1.0182 | |
| 169 | N | C | -1.6381 | |
| 170 | T | C | -1.7591 | |
| 171 | D | C | -2.7186 | |
| 172 | K | C | -2.1636 | |
| 173 | G | C | 0.0000 | |
| 174 | I | C | 0.0000 | |
| 175 | S | C | -0.8906 | |
| 176 | V | C | -1.4236 | |
| 177 | D | C | -2.2721 | |
| 178 | G | C | -2.1207 | |
| 179 | N | C | -2.5027 | |
| 180 | G | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | A | C | 0.0000 | |
| 183 | V | C | 0.0000 | |
| 184 | K | C | -1.3057 | |
| 185 | V | C | -0.6671 | |
| 186 | N | C | -1.0306 | |
| 187 | T | C | -0.7965 | |
| 188 | S | C | -1.3140 | |
| 189 | K | C | -1.3092 | |
| 190 | G | C | 0.0000 | |
| 191 | I | C | 0.0000 | |
| 192 | S | C | -0.4908 | |
| 193 | V | C | -1.3183 | |
| 194 | D | C | -2.5546 | |
| 195 | N | C | -2.8402 | |
| 196 | T | C | -1.6473 | |
| 197 | G | C | 0.0000 | |
| 198 | V | C | 0.0000 | |
| 199 | A | C | 0.0000 | |
| 200 | V | C | 0.0000 | |
| 201 | I | C | -0.1048 | |
| 202 | A | C | -0.1898 | |
| 203 | N | C | 0.0000 | |
| 204 | A | C | -0.5910 | |
| 205 | S | C | -1.2848 | |
| 206 | K | C | -1.3629 | |
| 207 | G | C | 0.0000 | |
| 208 | I | C | 0.0000 | |
| 209 | S | C | -0.4867 | |
| 210 | V | C | -0.8883 | |
| 211 | D | C | -2.1022 | |
| 212 | G | C | -1.5360 | |
| 213 | S | C | -1.0389 | |
| 214 | G | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | A | C | 0.0000 | |
| 217 | V | C | 0.0000 | |
| 218 | I | C | -0.1200 | |
| 219 | A | C | -0.2621 | |
| 220 | N | C | -0.9626 | |
| 221 | T | C | -0.9261 | |
| 222 | S | C | -1.5655 | |
| 223 | K | C | -1.5054 | |
| 224 | G | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | S | C | -0.6175 | |
| 227 | V | C | -0.7291 | |
| 228 | D | C | -1.7981 | |
| 229 | G | C | -1.3331 | |
| 230 | S | C | -0.9609 | |
| 231 | G | C | 0.0000 | |
| 232 | V | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | V | C | 0.0000 | |
| 235 | I | C | -0.1386 | |
| 236 | A | C | -0.1518 | |
| 237 | N | C | 0.0000 | |
| 238 | T | C | -0.6491 | |
| 239 | S | C | -1.2947 | |
| 240 | K | C | -1.2672 | |
| 241 | G | C | 0.0000 | |
| 242 | I | C | 0.0000 | |
| 243 | S | C | -0.4045 | |
| 244 | V | C | -0.8156 | |
| 245 | D | C | -2.1221 | |
| 246 | N | C | -2.1119 | |
| 247 | T | C | -1.2348 | |
| 248 | G | C | 0.0000 | |
| 249 | V | C | 0.0000 | |
| 250 | A | C | -0.3146 | |
| 251 | V | C | 0.0000 | |
| 252 | I | C | -0.0550 | |
| 253 | A | C | -0.1461 | |
| 254 | N | C | 0.0000 | |
| 255 | A | C | -0.5325 | |
| 256 | S | C | -1.1764 | |
| 257 | K | C | -1.2691 | |
| 258 | G | C | 0.0000 | |
| 259 | I | C | 0.0000 | |
| 260 | S | C | -0.4456 | |
| 261 | V | C | -0.7761 | |
| 262 | D | C | -2.0096 | |
| 263 | G | C | -1.4629 | |
| 264 | S | C | -1.0096 | |
| 265 | G | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | A | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | I | C | -0.0556 | |
| 270 | A | C | -0.2117 | |
| 271 | N | C | 0.0000 | |
| 272 | T | C | -0.5565 | |
| 273 | S | C | -1.0762 | |
| 274 | K | C | -1.2350 | |
| 275 | G | C | 0.0000 | |
| 276 | I | C | 0.0000 | |
| 277 | S | C | -0.5058 | |
| 278 | V | C | -0.9038 | |
| 279 | D | C | -2.2184 | |
| 280 | G | C | -1.5472 | |
| 281 | S | C | -1.1303 | |
| 282 | G | C | 0.0000 | |
| 283 | V | C | 0.0000 | |
| 284 | A | C | -0.4254 | |
| 285 | V | C | 0.0000 | |
| 286 | I | C | -0.0039 | |
| 287 | A | C | -0.1838 | |
| 288 | N | C | 0.0000 | |
| 289 | T | C | -0.7951 | |
| 290 | S | C | -1.1968 | |
| 291 | K | C | -1.7480 | |
| 292 | G | C | 0.0000 | |
| 293 | I | C | 0.0000 | |
| 294 | S | C | -0.7328 | |
| 295 | V | C | -0.8042 | |
| 296 | D | C | -1.7477 | |
| 297 | S | C | -1.1261 | |
| 298 | S | C | -0.8605 | |
| 299 | G | C | 0.0000 | |
| 300 | V | C | 0.0000 | |
| 301 | A | C | 0.0000 | |
| 302 | V | C | 0.0000 | |
| 303 | K | C | -1.3825 | |
| 304 | V | C | -1.1829 | |
| 305 | K | C | -1.7131 | |
| 306 | A | C | -1.2858 | |
| 307 | N | C | -1.7032 | |
| 308 | G | C | -1.4581 | |
| 309 | G | C | 0.0000 | |
| 310 | I | C | 0.0000 | |
| 311 | K | C | -2.1860 | |
| 312 | V | C | -1.6546 | |
| 313 | D | C | -1.8364 | |
| 314 | A | C | -1.2781 | |
| 315 | N | C | -1.8059 | |
| 316 | G | C | 0.0000 | |
| 317 | V | C | 0.0000 | |
| 318 | A | C | 0.0000 | |
| 319 | I | C | 0.0000 | |
| 320 | D | C | 0.0000 | |
| 321 | P | C | -0.7036 | |
| 322 | N | C | -0.4080 | |
| 323 | N | C | -0.7672 | |
| 324 | V | C | 0.0000 | |
| 325 | L | C | 0.0000 | |
| 326 | P | C | 0.0000 | |
| 327 | K | C | -1.2687 | |
| 328 | G | C | -0.5009 | |
| 329 | V | C | 0.0000 | |
| 330 | I | C | 0.0000 | |
| 331 | V | C | 0.0000 | |
| 332 | M | C | 0.0000 | |
| 333 | F | C | -0.1384 | |
| 334 | S | C | -0.5133 | |
| 335 | G | C | -0.7836 | |
| 336 | S | C | -0.8789 | |
| 337 | T | C | -0.4122 | |
| 338 | A | C | -0.0370 | |
| 339 | P | C | -0.3286 | |
| 340 | T | C | -0.0404 | |
| 341 | G | C | -0.1191 | |
| 342 | W | C | 0.0000 | |
| 343 | A | C | 0.0693 | |
| 344 | L | C | -0.5294 | |
| 345 | C | C | 0.0000 | |
| 346 | D | C | -1.6631 | |
| 347 | G | C | -1.8892 | |
| 348 | N | C | -2.4242 | |
| 349 | N | C | -2.1972 | |
| 350 | G | C | -1.7413 | |
| 351 | T | C | -1.2619 | |
| 352 | P | C | -1.3418 | |
| 353 | N | C | -1.6499 | |
| 354 | L | C | 0.0000 | |
| 355 | I | C | -0.7665 | |
| 356 | D | C | -0.8012 | |
| 357 | R | C | -0.5096 | |
| 358 | F | C | 0.0000 | |
| 359 | I | C | 0.0000 | |
| 360 | L | C | 0.0000 | |
| 361 | G | C | 0.0000 | |
| 362 | G | C | 0.0000 | |
| 363 | K | C | -1.8157 | |
| 364 | G | C | -1.4757 | |
| 365 | T | C | -1.1398 | |
| 366 | D | C | -1.7463 | |
| 367 | I | C | 0.0000 | |
| 368 | N | C | -1.7699 | |
| 369 | G | C | 0.0000 | |
| 370 | V | C | -0.6907 | |
| 371 | S | C | 0.0000 | |
| 372 | T | C | -0.2400 | |
| 373 | N | C | 0.0000 | |
| 374 | T | C | -0.2353 | |
| 375 | A | C | -0.2719 | |
| 376 | S | C | -0.4782 | |
| 377 | G | C | -0.8950 | |
| 378 | T | C | -1.1983 | |
| 379 | K | C | -2.1067 | |
| 380 | N | C | -1.7399 | |
| 381 | S | C | -1.0772 | |
| 382 | K | C | 0.0000 | |
| 383 | L | C | -0.4787 | |
| 384 | F | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | F | C | 0.0000 | |
| 387 | S | C | -1.5707 | |
| 388 | G | C | -1.6980 | |
| 389 | G | C | -1.3107 | |
| 390 | S | C | -1.4399 | |
| 391 | G | C | -1.7331 | |
| 392 | G | C | -1.5028 | |
| 393 | N | C | -1.8839 | |
| 394 | A | C | -0.8417 | |
| 395 | V | C | -0.7692 | |
| 396 | P | C | -1.3005 | |
| 397 | N | C | -1.7148 | |
| 398 | L | C | 0.0000 | |
| 399 | R | C | -2.6159 | |
| 400 | G | C | -1.8859 | |
| 401 | D | C | -1.8490 | |
| 402 | L | C | -1.3835 | |
| 403 | Q | C | -1.7571 | |
| 404 | V | C | -0.1843 | |
| 405 | L | C | 0.0000 | |
| 406 | A | C | 0.0000 | |
| 407 | Q | C | -1.5998 | |
| 408 | K | C | -1.4465 | |
| 409 | V | C | -0.6395 | |
| 410 | A | C | -1.3083 | |
| 411 | R | C | -2.5718 | |
| 412 | T | C | -1.7324 | |
| 413 | G | C | -1.8567 | |
| 414 | G | C | -1.8152 | |
| 415 | S | C | -1.4505 | |
| 416 | G | C | -1.7638 | |
| 417 | G | C | -2.1853 | |
| 418 | K | C | -2.9585 | |
| 419 | N | C | -2.9009 | |
| 420 | K | C | -2.0342 | |
| 421 | V | C | 0.0000 | |
| 422 | T | C | -0.3418 | |
| 423 | V | C | 0.0000 | |
| 424 | P | C | 0.0000 | |
| 425 | Y | C | 0.0000 | |
| 426 | Y | C | 0.0000 | |
| 427 | I | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | A | C | 0.0000 | |
| 430 | F | C | 0.0000 | |
| 431 | I | C | 0.0000 | |
| 432 | I | C | 0.0000 | |
| 433 | K | C | 0.0000 | |
| 434 | L | C | 0.8624 |
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 | -0.6828 | 2.5225 | View | CSV | PDB |
| 4.5 | -0.7432 | 2.4776 | View | CSV | PDB |
| 5.0 | -0.8094 | 2.4197 | View | CSV | PDB |
| 5.5 | -0.8723 | 2.3623 | View | CSV | PDB |
| 6.0 | -0.9222 | 2.3228 | View | CSV | PDB |
| 6.5 | -0.9517 | 2.3193 | View | CSV | PDB |
| 7.0 | -0.9618 | 2.3558 | View | CSV | PDB |
| 7.5 | -0.9594 | 2.4184 | View | CSV | PDB |
| 8.0 | -0.9478 | 2.4924 | View | CSV | PDB |
| 8.5 | -0.9252 | 2.5703 | View | CSV | PDB |
| 9.0 | -0.8886 | 2.6491 | 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