| Chain sequence(s) |
A: KVVDEPTSAMQDITTNFEQRTIGRVPWPITHIAANYVRDGHMTHKTSRVKITLGKGVVHSPNGKGLYNLWDLVLNRQGKEYGATFLAYNINNRVWRPHRTDTIKTHGIKAGQPVWIGNKSSTNASSNPIRTLPAYMVTKQYCQMVSQIKLSPHITGFEANKRIITGTGTQGGDLITAKFGNQIKKTRVDHEGRWQMKCFSGNGHLMVTETNAYDDIPGHTETVINNGTPRTDATIKLNLFLTNGHTFSTAKGRKVLVTGMILGTDQNDFDRDVVLKNNALTIHFAHADGTPIANYKANGSVNEPDKAGYFHLKLPTESLKQGPNDVKVWVSDQHGQRSNIDTLTVNVNSGLMFGQINAQMRFRSNTIPHSERLLSPTNQWQIEVHDTRSVASKWYVYATATKMKSAQHSLIGDLVYIDAAGQKHVMTNQETLVGHGTHTNSNQQTTNIAATWQARQGIFLDVQPELYAGSYHGKINWSLQDTPQS
C: NRQQSVHNNNVGFSVAAEIPKNQIHKQNSFFDLKMASGQQQTLRTVIYNVTNKDIKVRTAIHTAYTNTNGTIEYINPAKSYDQSLKYRVSDLATIQGERTITIPAEGSKTVAIKVKLPKQPVNGVLLGGWYFKRVDDKVTGVTEKSINVKNEYSYVIGLKLSSGKLPIPNLCLGPVKAGLNNYHRSIIVALRNPVARIIPNLKIRTVIINKRHQKVIIKNTKTGVMMAPNTVFKAPMPLGSQQLQPGDYQLQMTVNNQRHHWRFKRDFHISMTAAQKYNHESIDNKGVSMWMLIGIGAISMLVLGLGLGVIVWLWRRQRRSKD B: VGGRSTVTVSFYAGQRTQQQIDNRNVKIPNGTRPYRVVTEKTLTRPKGYYQLPQTDEQLLTWFYASFGSVLLILLMVIRWFNKESYC D: DTPAAPNADSTANTTGTTDIQAMFKGNSSPVSPVNPDNPNKPDNSGDSGNGAKAGGGLSLIYVSNKLDFGSHEIDVLNPETYTAAETDSDLSGLWNKKAVTEVSDVRGSNAGWTLAVAGSSLTGTDGSVMKGATLQLPKGTVTNSGATNNGVQSTEALNVLDGNSATVLSAAKDHGAGVTVDQIDPSNVKLTVPANTAKAQGYQTTLNWSLSDTPAS input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2c13ffb1d4e22e9/tmp/folded.pdb (00:28:32)
[INFO] Main: Simulation completed successfully. (00:46:32)
|
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 | K | A | -2.7758 | |
| 2 | V | A | -2.0231 | |
| 3 | V | A | 0.0000 | |
| 4 | D | A | -3.1422 | |
| 5 | E | A | -2.0568 | |
| 6 | P | A | 0.0000 | |
| 7 | T | A | -0.6458 | |
| 8 | S | A | -0.5882 | |
| 9 | A | A | -0.2826 | |
| 10 | M | A | -0.7777 | |
| 11 | Q | A | -1.5598 | |
| 12 | D | A | -1.8629 | |
| 13 | I | A | 0.0000 | |
| 14 | T | A | -0.9841 | |
| 15 | T | A | -0.5814 | |
| 16 | N | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | -1.0400 | |
| 19 | Q | A | -1.2287 | |
| 20 | R | A | -0.8011 | |
| 21 | T | A | -0.6587 | |
| 22 | I | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | R | A | -1.8032 | |
| 25 | V | A | 0.0000 | |
| 26 | P | A | -0.5146 | |
| 27 | W | A | 0.0000 | |
| 28 | P | A | -0.6333 | |
| 29 | I | A | 0.0000 | |
| 30 | T | A | -0.6892 | |
| 31 | H | A | -1.1758 | |
| 32 | I | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | Y | A | -0.4963 | |
| 37 | V | A | -0.4477 | |
| 38 | R | A | 0.0000 | |
| 39 | D | A | -0.9556 | |
| 40 | G | A | -0.7283 | |
| 41 | H | A | 0.0000 | |
| 42 | M | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | H | A | -1.4844 | |
| 45 | K | A | -1.5529 | |
| 46 | T | A | 0.0000 | |
| 47 | S | A | -2.0693 | |
| 48 | R | A | -2.8343 | |
| 49 | V | A | 0.0000 | |
| 50 | K | A | -1.7165 | |
| 51 | I | A | 0.0000 | |
| 52 | T | A | -1.0985 | |
| 53 | L | A | 0.0000 | |
| 54 | G | A | -1.6003 | |
| 55 | K | A | -2.2897 | |
| 56 | G | A | -0.9434 | |
| 57 | V | A | 0.4243 | |
| 58 | V | A | 0.0000 | |
| 59 | H | A | -1.8042 | |
| 60 | S | A | 0.0000 | |
| 61 | P | A | -1.8164 | |
| 62 | N | A | -2.3284 | |
| 63 | G | A | -2.3988 | |
| 64 | K | A | -3.1058 | |
| 65 | G | A | -2.5857 | |
| 66 | L | A | 0.0000 | |
| 67 | Y | A | -0.4484 | |
| 68 | N | A | 0.3432 | |
| 69 | L | A | 0.0000 | |
| 70 | W | A | 0.8276 | |
| 71 | D | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | N | A | -0.9541 | |
| 76 | R | A | 0.0000 | |
| 77 | Q | A | -1.2805 | |
| 78 | G | A | -1.0994 | |
| 79 | K | A | -1.6480 | |
| 80 | E | A | -1.5288 | |
| 81 | Y | A | 0.0000 | |
| 82 | G | A | -1.4672 | |
| 83 | A | A | -0.2773 | |
| 84 | T | A | 0.2220 | |
| 85 | F | A | 1.2727 | |
| 86 | L | A | 0.0000 | |
| 87 | A | A | 0.6125 | |
| 88 | Y | A | 0.7107 | |
| 89 | N | A | -0.9271 | |
| 90 | I | A | 0.0000 | |
| 91 | N | A | -2.4647 | |
| 92 | N | A | -2.6821 | |
| 93 | R | A | -3.4885 | |
| 94 | V | A | -1.6390 | |
| 95 | W | A | -1.3008 | |
| 96 | R | A | -1.9034 | |
| 97 | P | A | 0.0000 | |
| 98 | H | A | -2.1837 | |
| 99 | R | A | -1.6876 | |
| 100 | T | A | -0.9655 | |
| 101 | D | A | -0.6387 | |
| 102 | T | A | -1.1826 | |
| 103 | I | A | 0.0000 | |
| 104 | K | A | -2.7652 | |
| 105 | T | A | 0.0000 | |
| 106 | H | A | -2.2723 | |
| 107 | G | A | -1.4787 | |
| 108 | I | A | 0.0000 | |
| 109 | K | A | -1.8598 | |
| 110 | A | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -0.6791 | |
| 113 | P | A | -0.3327 | |
| 114 | V | A | 0.0000 | |
| 115 | W | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | 0.2666 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | N | A | -0.5215 | |
| 124 | A | A | -0.2428 | |
| 125 | S | A | -0.1071 | |
| 126 | S | A | -0.5776 | |
| 127 | N | A | -0.7329 | |
| 128 | P | A | 0.1043 | |
| 129 | I | A | 1.0411 | |
| 130 | R | A | -0.8422 | |
| 131 | T | A | -0.1788 | |
| 132 | L | A | 1.3431 | |
| 133 | P | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | Y | A | 0.4671 | |
| 136 | M | A | 0.0000 | |
| 137 | V | A | 0.0981 | |
| 138 | T | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | Y | A | -0.3819 | |
| 142 | C | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | M | A | -0.1390 | |
| 145 | V | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | Q | A | -0.5588 | |
| 148 | I | A | 0.0000 | |
| 149 | K | A | -0.7247 | |
| 150 | L | A | 0.0000 | |
| 151 | S | A | -0.4978 | |
| 152 | P | A | 0.0000 | |
| 153 | H | A | -0.8136 | |
| 154 | I | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | G | A | -0.9937 | |
| 157 | F | A | -1.2775 | |
| 158 | E | A | -2.2342 | |
| 159 | A | A | -1.6807 | |
| 160 | N | A | -2.4216 | |
| 161 | K | A | -2.8965 | |
| 162 | R | A | -2.4210 | |
| 163 | I | A | -1.9662 | |
| 164 | I | A | 0.0000 | |
| 165 | T | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | T | A | -0.6067 | |
| 168 | G | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | Q | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | G | A | -1.9377 | |
| 173 | D | A | 0.0000 | |
| 174 | L | A | -0.9845 | |
| 175 | I | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | K | A | -0.9322 | |
| 179 | F | A | 0.0000 | |
| 180 | G | A | -1.4853 | |
| 181 | N | A | -1.5427 | |
| 182 | Q | A | -0.9152 | |
| 183 | I | A | 0.3971 | |
| 184 | K | A | -0.9946 | |
| 185 | K | A | -2.1925 | |
| 186 | T | A | -2.3329 | |
| 187 | R | A | -2.7773 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -3.3017 | |
| 190 | H | A | -3.4318 | |
| 191 | E | A | -3.5109 | |
| 192 | G | A | 0.0000 | |
| 193 | R | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | Q | A | -2.0427 | |
| 196 | M | A | 0.0000 | |
| 197 | K | A | -2.6181 | |
| 198 | C | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | -1.3871 | |
| 201 | G | A | -1.8909 | |
| 202 | N | A | -2.6041 | |
| 203 | G | A | -1.7785 | |
| 204 | H | A | -1.8461 | |
| 205 | L | A | 0.0000 | |
| 206 | M | A | -0.8586 | |
| 207 | V | A | 0.0000 | |
| 208 | T | A | -0.8897 | |
| 209 | E | A | 0.0000 | |
| 210 | T | A | -0.5328 | |
| 211 | N | A | -0.5120 | |
| 212 | A | A | -0.4368 | |
| 213 | Y | A | 0.0000 | |
| 214 | D | A | -1.0910 | |
| 215 | D | A | 0.0000 | |
| 216 | I | A | -0.1382 | |
| 217 | P | A | -0.5537 | |
| 218 | G | A | 0.0000 | |
| 219 | H | A | -1.4853 | |
| 220 | T | A | -1.3413 | |
| 221 | E | A | -2.3314 | |
| 222 | T | A | -1.8313 | |
| 223 | V | A | -1.6519 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -2.8946 | |
| 226 | N | A | -2.4359 | |
| 227 | G | A | 0.0000 | |
| 228 | T | A | -1.6644 | |
| 229 | P | A | 0.0000 | |
| 230 | R | A | -2.5698 | |
| 231 | T | A | -1.8868 | |
| 232 | D | A | -2.3638 | |
| 233 | A | A | -1.4764 | |
| 234 | T | A | -0.8352 | |
| 235 | I | A | -0.3307 | |
| 236 | K | A | -0.8760 | |
| 237 | L | A | 0.0000 | |
| 238 | N | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | T | A | -0.3475 | |
| 247 | F | A | 0.0000 | |
| 248 | S | A | -0.2366 | |
| 249 | T | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | K | A | -2.1785 | |
| 252 | G | A | -1.6727 | |
| 253 | R | A | 0.0000 | |
| 254 | K | A | -1.4936 | |
| 255 | V | A | 0.0000 | |
| 256 | L | A | -0.2131 | |
| 257 | V | A | 0.0000 | |
| 258 | T | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | -0.2395 | |
| 263 | G | A | 0.0000 | |
| 264 | T | A | -1.0088 | |
| 265 | D | A | -1.4436 | |
| 266 | Q | A | 0.0000 | |
| 267 | N | A | -2.2444 | |
| 268 | D | A | -2.7306 | |
| 269 | F | A | -1.6004 | |
| 270 | D | A | -3.5854 | |
| 271 | R | A | -3.7296 | |
| 272 | D | A | -2.8866 | |
| 273 | V | A | -0.8680 | |
| 274 | V | A | 0.6416 | |
| 275 | L | A | -0.1629 | |
| 276 | K | A | -2.2215 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -2.6025 | |
| 279 | A | A | -2.0778 | |
| 280 | L | A | 0.0000 | |
| 281 | T | A | -1.4770 | |
| 282 | I | A | 0.0000 | |
| 283 | H | A | -0.6077 | |
| 284 | F | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | H | A | -1.3397 | |
| 287 | A | A | -1.5972 | |
| 288 | D | A | -2.2626 | |
| 289 | G | A | -1.4072 | |
| 290 | T | A | -0.9138 | |
| 291 | P | A | -0.8118 | |
| 292 | I | A | -0.4739 | |
| 293 | A | A | -0.6089 | |
| 294 | N | A | -1.3654 | |
| 295 | Y | A | -1.2081 | |
| 296 | K | A | -2.1028 | |
| 297 | A | A | 0.0000 | |
| 298 | N | A | -2.0666 | |
| 299 | G | A | 0.0000 | |
| 300 | S | A | -1.2211 | |
| 301 | V | A | -0.6454 | |
| 302 | N | A | -1.3881 | |
| 303 | E | A | -2.1622 | |
| 304 | P | A | -2.0404 | |
| 305 | D | A | -3.0805 | |
| 306 | K | A | -2.3119 | |
| 307 | A | A | -1.2788 | |
| 308 | G | A | 0.0000 | |
| 309 | Y | A | -0.8544 | |
| 310 | F | A | 0.0000 | |
| 311 | H | A | -0.5718 | |
| 312 | L | A | 0.0000 | |
| 313 | K | A | -0.9407 | |
| 314 | L | A | 0.0000 | |
| 315 | P | A | -0.9636 | |
| 316 | T | A | 0.0000 | |
| 317 | E | A | -2.1099 | |
| 318 | S | A | -1.4515 | |
| 319 | L | A | 0.0000 | |
| 320 | K | A | -2.4146 | |
| 321 | Q | A | -1.6131 | |
| 322 | G | A | 0.0000 | |
| 323 | P | A | -0.9781 | |
| 324 | N | A | 0.0000 | |
| 325 | D | A | -1.6814 | |
| 326 | V | A | 0.0000 | |
| 327 | K | A | -0.8273 | |
| 328 | V | A | 0.0000 | |
| 329 | W | A | -0.0804 | |
| 330 | V | A | 0.0000 | |
| 331 | S | A | -1.7541 | |
| 332 | D | A | -2.3982 | |
| 333 | Q | A | -2.5921 | |
| 334 | H | A | -2.2419 | |
| 335 | G | A | -2.0490 | |
| 336 | Q | A | -2.0796 | |
| 337 | R | A | -2.3138 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.1388 | |
| 340 | I | A | 0.8015 | |
| 341 | D | A | 0.0000 | |
| 342 | T | A | -0.2891 | |
| 343 | L | A | 0.0000 | |
| 344 | T | A | -0.6447 | |
| 345 | V | A | 0.0000 | |
| 346 | N | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | G | A | -0.5374 | |
| 351 | L | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | G | A | 0.0000 | |
| 355 | Q | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | N | A | -0.3264 | |
| 358 | A | A | 0.0000 | |
| 359 | Q | A | -0.6307 | |
| 360 | M | A | 0.0000 | |
| 361 | R | A | -1.0170 | |
| 362 | F | A | 0.0000 | |
| 363 | R | A | -2.1134 | |
| 364 | S | A | -1.5681 | |
| 365 | N | A | -1.1989 | |
| 366 | T | A | -1.2013 | |
| 367 | I | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | H | A | -1.1194 | |
| 370 | S | A | 0.0000 | |
| 371 | E | A | -1.9421 | |
| 372 | R | A | -1.6089 | |
| 373 | L | A | -0.2647 | |
| 374 | L | A | 0.0000 | |
| 375 | S | A | -0.7071 | |
| 376 | P | A | -0.5684 | |
| 377 | T | A | -0.7172 | |
| 378 | N | A | 0.0000 | |
| 379 | Q | A | -0.5897 | |
| 380 | W | A | 0.0000 | |
| 381 | Q | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | E | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | D | A | 0.0000 | |
| 387 | T | A | -0.7985 | |
| 388 | R | A | -0.7179 | |
| 389 | S | A | -0.2997 | |
| 390 | V | A | 0.7407 | |
| 391 | A | A | 0.2099 | |
| 392 | S | A | -0.2426 | |
| 393 | K | A | -0.8251 | |
| 394 | W | A | 0.0000 | |
| 395 | Y | A | -0.4030 | |
| 396 | V | A | 0.0000 | |
| 397 | Y | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | T | A | -1.0849 | |
| 402 | K | A | -1.1653 | |
| 403 | M | A | 0.0000 | |
| 404 | K | A | -2.0496 | |
| 405 | S | A | -1.6545 | |
| 406 | A | A | -1.2741 | |
| 407 | Q | A | -1.5881 | |
| 408 | H | A | -1.2003 | |
| 409 | S | A | -1.0630 | |
| 410 | L | A | 0.0000 | |
| 411 | I | A | 0.1510 | |
| 412 | G | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -1.1651 | |
| 419 | A | A | -0.9020 | |
| 420 | A | A | -0.7415 | |
| 421 | G | A | -1.3823 | |
| 422 | Q | A | -1.2778 | |
| 423 | K | A | -1.0353 | |
| 424 | H | A | -0.5705 | |
| 425 | V | A | -0.2899 | |
| 426 | M | A | 0.0000 | |
| 427 | T | A | -0.8126 | |
| 428 | N | A | -1.4222 | |
| 429 | Q | A | 0.0000 | |
| 430 | E | A | 0.0000 | |
| 431 | T | A | 0.0000 | |
| 432 | L | A | 0.2626 | |
| 433 | V | A | 0.0000 | |
| 434 | G | A | -0.4093 | |
| 435 | H | A | -1.0577 | |
| 436 | G | A | -0.8211 | |
| 437 | T | A | -0.3248 | |
| 438 | H | A | 0.0000 | |
| 439 | T | A | -0.5590 | |
| 440 | N | A | -1.2689 | |
| 441 | S | A | -1.2996 | |
| 442 | N | A | -1.8375 | |
| 443 | Q | A | -1.4943 | |
| 444 | Q | A | -1.0072 | |
| 445 | T | A | -0.3400 | |
| 446 | T | A | -0.3619 | |
| 447 | N | A | -0.2747 | |
| 448 | I | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | A | A | -0.4041 | |
| 451 | T | A | -0.3394 | |
| 452 | W | A | -0.9307 | |
| 453 | Q | A | -1.9021 | |
| 454 | A | A | -1.5765 | |
| 455 | R | A | -2.4067 | |
| 456 | Q | A | -1.7713 | |
| 457 | G | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | F | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | D | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | Q | A | 0.0000 | |
| 464 | P | A | 0.0000 | |
| 465 | E | A | -0.6403 | |
| 466 | L | A | 0.0000 | |
| 467 | Y | A | -0.6762 | |
| 468 | A | A | -0.8427 | |
| 469 | G | A | -1.3218 | |
| 470 | S | A | -1.3141 | |
| 471 | Y | A | 0.0000 | |
| 472 | H | A | -1.0647 | |
| 473 | G | A | 0.0000 | |
| 474 | K | A | -0.9868 | |
| 475 | I | A | 0.0000 | |
| 476 | N | A | 0.0000 | |
| 477 | W | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | Q | A | 0.0000 | |
| 481 | D | A | 0.0000 | |
| 482 | T | A | 0.0000 | |
| 483 | P | A | 0.0000 | |
| 484 | Q | A | -0.6582 | |
| 485 | S | A | -0.6185 | |
| 1 | V | B | 1.0436 | |
| 2 | G | B | -0.5501 | |
| 3 | G | B | 0.0000 | |
| 4 | R | B | -2.6974 | |
| 5 | S | B | 0.0000 | |
| 6 | T | B | -1.1310 | |
| 7 | V | B | 0.0000 | |
| 8 | T | B | -0.8108 | |
| 9 | V | B | 0.0000 | |
| 10 | S | B | -0.5513 | |
| 11 | F | B | 0.0000 | |
| 12 | Y | B | 0.2882 | |
| 13 | A | B | -0.4392 | |
| 14 | G | B | -1.0835 | |
| 15 | Q | B | -1.9964 | |
| 16 | R | B | -2.4463 | |
| 17 | T | B | -1.9544 | |
| 18 | Q | B | -2.3834 | |
| 19 | Q | B | -2.6561 | |
| 20 | Q | B | -2.5872 | |
| 21 | I | B | -1.1569 | |
| 22 | D | B | -2.9703 | |
| 23 | N | B | -3.1174 | |
| 24 | R | B | -2.7875 | |
| 25 | N | B | -2.0865 | |
| 26 | V | B | -0.3278 | |
| 27 | K | B | -0.8655 | |
| 28 | I | B | 0.8389 | |
| 29 | P | B | -0.2632 | |
| 30 | N | B | -1.5362 | |
| 31 | G | B | -1.3088 | |
| 32 | T | B | -1.3675 | |
| 33 | R | B | -2.0943 | |
| 34 | P | B | -0.7710 | |
| 35 | Y | B | 0.4083 | |
| 36 | R | B | -0.2688 | |
| 37 | V | B | 1.5877 | |
| 38 | V | B | 1.1137 | |
| 39 | T | B | -0.4850 | |
| 40 | E | B | -1.9559 | |
| 41 | K | B | -2.1430 | |
| 42 | T | B | -0.5326 | |
| 43 | L | B | 0.5169 | |
| 44 | T | B | -0.4636 | |
| 45 | R | B | -2.1481 | |
| 46 | P | B | -1.8202 | |
| 47 | K | B | -2.2483 | |
| 48 | G | B | -0.6869 | |
| 49 | Y | B | 1.3269 | |
| 50 | Y | B | 1.7074 | |
| 51 | Q | B | 0.4347 | |
| 52 | L | B | 1.0280 | |
| 53 | P | B | -0.4329 | |
| 54 | Q | B | -1.4178 | |
| 55 | T | B | -2.0189 | |
| 56 | D | B | -3.2719 | |
| 57 | E | B | -2.8213 | |
| 58 | Q | B | -1.3650 | |
| 59 | L | B | 1.3648 | |
| 60 | L | B | 2.1509 | |
| 61 | T | B | 2.0770 | |
| 62 | W | B | 2.7922 | |
| 63 | F | B | 3.2308 | |
| 64 | Y | B | 2.5108 | |
| 65 | A | B | 1.5098 | |
| 66 | S | B | 0.9879 | |
| 67 | F | B | 1.7363 | |
| 68 | G | B | 0.7569 | |
| 69 | S | B | 1.4612 | |
| 70 | V | B | 2.8891 | |
| 71 | L | B | 3.6799 | |
| 72 | L | B | 4.1217 | |
| 73 | I | B | 4.2485 | |
| 74 | L | B | 4.1471 | |
| 75 | L | B | 3.7786 | |
| 76 | M | B | 3.5279 | |
| 77 | V | B | 3.5071 | |
| 78 | I | B | 2.5373 | |
| 79 | R | B | 0.5479 | |
| 80 | W | B | 1.1499 | |
| 81 | F | B | 1.0258 | |
| 82 | N | B | -1.5930 | |
| 83 | K | B | -2.7548 | |
| 84 | E | B | -2.7744 | |
| 85 | S | B | -0.7949 | |
| 86 | Y | B | 1.2444 | |
| 87 | C | B | 1.4249 | |
| 1 | N | C | -2.4334 | |
| 2 | R | C | -2.9227 | |
| 3 | Q | C | -2.3970 | |
| 4 | Q | C | -1.5571 | |
| 5 | S | C | -0.7748 | |
| 6 | V | C | 0.0587 | |
| 7 | H | C | 0.0000 | |
| 8 | N | C | 0.0000 | |
| 9 | N | C | 0.0000 | |
| 10 | N | C | -0.4343 | |
| 11 | V | C | 0.0000 | |
| 12 | G | C | 0.0000 | |
| 13 | F | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | V | C | 0.0000 | |
| 16 | A | C | -0.5589 | |
| 17 | A | C | -0.9824 | |
| 18 | E | C | -1.9632 | |
| 19 | I | C | -1.3473 | |
| 20 | P | C | -1.4341 | |
| 21 | K | C | -2.1876 | |
| 22 | N | C | -1.5825 | |
| 23 | Q | C | 0.0000 | |
| 24 | I | C | -1.0514 | |
| 25 | H | C | -1.7837 | |
| 26 | K | C | -2.6582 | |
| 27 | Q | C | -2.0268 | |
| 28 | N | C | -1.5804 | |
| 29 | S | C | -1.1414 | |
| 30 | F | C | 0.0000 | |
| 31 | F | C | 0.0000 | |
| 32 | D | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | K | C | -1.8947 | |
| 35 | M | C | 0.0000 | |
| 36 | A | C | -1.3674 | |
| 37 | S | C | -1.7115 | |
| 38 | G | C | -1.9636 | |
| 39 | Q | C | -1.6653 | |
| 40 | Q | C | -2.0339 | |
| 41 | Q | C | -1.3735 | |
| 42 | T | C | -1.1380 | |
| 43 | L | C | 0.0000 | |
| 44 | R | C | -2.1195 | |
| 45 | T | C | 0.0000 | |
| 46 | V | C | -0.8877 | |
| 47 | I | C | 0.0000 | |
| 48 | Y | C | 0.0000 | |
| 49 | N | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | T | C | -1.6928 | |
| 52 | N | C | -2.4725 | |
| 53 | K | C | -2.7127 | |
| 54 | D | C | -3.0037 | |
| 55 | I | C | 0.0000 | |
| 56 | K | C | -1.9114 | |
| 57 | V | C | 0.0000 | |
| 58 | R | C | -2.2780 | |
| 59 | T | C | 0.0000 | |
| 60 | A | C | -0.6903 | |
| 61 | I | C | 0.0000 | |
| 62 | H | C | -0.6493 | |
| 63 | T | C | 0.0000 | |
| 64 | A | C | 0.0000 | |
| 65 | Y | C | 0.2229 | |
| 66 | T | C | 0.0000 | |
| 67 | N | C | 0.0000 | |
| 68 | T | C | -0.3550 | |
| 69 | N | C | -0.3918 | |
| 70 | G | C | 0.0000 | |
| 71 | T | C | 0.0000 | |
| 72 | I | C | 0.0000 | |
| 73 | E | C | 0.0000 | |
| 74 | Y | C | 0.0000 | |
| 75 | I | C | 0.0000 | |
| 76 | N | C | -0.8491 | |
| 77 | P | C | -0.9335 | |
| 78 | A | C | -1.0850 | |
| 79 | K | C | -1.8052 | |
| 80 | S | C | -0.9873 | |
| 81 | Y | C | -0.5984 | |
| 82 | D | C | 0.0000 | |
| 83 | Q | C | -1.4145 | |
| 84 | S | C | -0.8924 | |
| 85 | L | C | -1.0344 | |
| 86 | K | C | -1.9570 | |
| 87 | Y | C | -1.4629 | |
| 88 | R | C | -1.8842 | |
| 89 | V | C | 0.0000 | |
| 90 | S | C | -1.2798 | |
| 91 | D | C | -2.2429 | |
| 92 | L | C | -1.5337 | |
| 93 | A | C | 0.0000 | |
| 94 | T | C | -0.8515 | |
| 95 | I | C | -1.1127 | |
| 96 | Q | C | -1.7826 | |
| 97 | G | C | -2.0533 | |
| 98 | E | C | -3.2154 | |
| 99 | R | C | -3.2405 | |
| 100 | T | C | -2.2524 | |
| 101 | I | C | 0.0000 | |
| 102 | T | C | -1.4838 | |
| 103 | I | C | 0.0000 | |
| 104 | P | C | -1.7596 | |
| 105 | A | C | -2.1068 | |
| 106 | E | C | -1.7599 | |
| 107 | G | C | -1.2732 | |
| 108 | S | C | -0.8060 | |
| 109 | K | C | -1.0019 | |
| 110 | T | C | -1.0341 | |
| 111 | V | C | 0.0000 | |
| 112 | A | C | -1.4488 | |
| 113 | I | C | 0.0000 | |
| 114 | K | C | -1.3689 | |
| 115 | V | C | 0.0000 | |
| 116 | K | C | -2.3084 | |
| 117 | L | C | 0.0000 | |
| 118 | P | C | -1.7066 | |
| 119 | K | C | -2.5453 | |
| 120 | Q | C | -2.0348 | |
| 121 | P | C | -1.6631 | |
| 122 | V | C | 0.0000 | |
| 123 | N | C | -1.7035 | |
| 124 | G | C | 0.0000 | |
| 125 | V | C | 0.0000 | |
| 126 | L | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | G | C | 0.0000 | |
| 129 | G | C | 0.0000 | |
| 130 | W | C | 0.0000 | |
| 131 | Y | C | 0.0000 | |
| 132 | F | C | 0.0000 | |
| 133 | K | C | -0.9068 | |
| 134 | R | C | -1.2020 | |
| 135 | V | C | -1.4171 | |
| 136 | D | C | -2.4369 | |
| 137 | D | C | -2.6756 | |
| 138 | K | C | -2.0239 | |
| 139 | V | C | 0.4021 | |
| 140 | T | C | 0.1561 | |
| 141 | G | C | 0.3271 | |
| 142 | V | C | 1.0664 | |
| 143 | T | C | -0.4727 | |
| 144 | E | C | -1.7538 | |
| 145 | K | C | -1.5055 | |
| 146 | S | C | 0.0000 | |
| 147 | I | C | 0.0000 | |
| 148 | N | C | -0.8609 | |
| 149 | V | C | 0.0000 | |
| 150 | K | C | -0.5595 | |
| 151 | N | C | 0.0000 | |
| 152 | E | C | -0.6198 | |
| 153 | Y | C | 0.0000 | |
| 154 | S | C | 0.0000 | |
| 155 | Y | C | 0.0000 | |
| 156 | V | C | 0.0000 | |
| 157 | I | C | 0.0000 | |
| 158 | G | C | 0.0000 | |
| 159 | L | C | 0.0000 | |
| 160 | K | C | 0.0000 | |
| 161 | L | C | 0.0000 | |
| 162 | S | C | 0.0000 | |
| 163 | S | C | 0.0000 | |
| 164 | G | C | -1.7638 | |
| 165 | K | C | -1.6336 | |
| 166 | L | C | 0.0215 | |
| 167 | P | C | 0.4125 | |
| 168 | I | C | 1.6713 | |
| 169 | P | C | 0.0000 | |
| 170 | N | C | -0.6493 | |
| 171 | L | C | 0.0000 | |
| 172 | C | C | -0.0893 | |
| 173 | L | C | 0.0000 | |
| 174 | G | C | -0.3321 | |
| 175 | P | C | -0.7212 | |
| 176 | V | C | -1.1958 | |
| 177 | K | C | -1.7110 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | L | C | 0.1050 | |
| 181 | N | C | -0.1081 | |
| 182 | N | C | -0.1250 | |
| 183 | Y | C | 0.0048 | |
| 184 | H | C | -0.5172 | |
| 185 | R | C | -0.6801 | |
| 186 | S | C | 0.0000 | |
| 187 | I | C | 0.0000 | |
| 188 | I | C | -0.5443 | |
| 189 | V | C | 0.0000 | |
| 190 | A | C | 0.0000 | |
| 191 | L | C | 0.0000 | |
| 192 | R | C | -0.4281 | |
| 193 | N | C | 0.0000 | |
| 194 | P | C | -0.3747 | |
| 195 | V | C | 0.1306 | |
| 196 | A | C | -0.4121 | |
| 197 | R | C | -0.2808 | |
| 198 | I | C | 0.0000 | |
| 199 | I | C | 0.0000 | |
| 200 | P | C | -1.4602 | |
| 201 | N | C | -2.1214 | |
| 202 | L | C | 0.0000 | |
| 203 | K | C | -2.6316 | |
| 204 | I | C | 0.0000 | |
| 205 | R | C | -2.8573 | |
| 206 | T | C | 0.0000 | |
| 207 | V | C | -0.8131 | |
| 208 | I | C | 0.0000 | |
| 209 | I | C | -1.1606 | |
| 210 | N | C | 0.0000 | |
| 211 | K | C | -3.0318 | |
| 212 | R | C | -3.3926 | |
| 213 | H | C | -3.1339 | |
| 214 | Q | C | -2.9771 | |
| 215 | K | C | -2.3952 | |
| 216 | V | C | -0.3536 | |
| 217 | I | C | -0.2044 | |
| 218 | I | C | 0.0000 | |
| 219 | K | C | -1.7691 | |
| 220 | N | C | -1.5629 | |
| 221 | T | C | -1.6404 | |
| 222 | K | C | -1.3239 | |
| 223 | T | C | -1.4690 | |
| 224 | G | C | -1.3583 | |
| 225 | V | C | 0.0000 | |
| 226 | M | C | -0.6296 | |
| 227 | M | C | 0.0000 | |
| 228 | A | C | 0.0000 | |
| 229 | P | C | 0.0000 | |
| 230 | N | C | 0.0000 | |
| 231 | T | C | 0.0000 | |
| 232 | V | C | -0.0508 | |
| 233 | F | C | 0.0000 | |
| 234 | K | C | -0.8282 | |
| 235 | A | C | 0.0000 | |
| 236 | P | C | 0.0000 | |
| 237 | M | C | 0.0000 | |
| 238 | P | C | -0.6829 | |
| 239 | L | C | 0.0000 | |
| 240 | G | C | -1.0485 | |
| 241 | S | C | -1.2895 | |
| 242 | Q | C | -1.6030 | |
| 243 | Q | C | -1.9848 | |
| 244 | L | C | 0.0000 | |
| 245 | Q | C | -1.0303 | |
| 246 | P | C | -0.5425 | |
| 247 | G | C | -0.9806 | |
| 248 | D | C | -1.9669 | |
| 249 | Y | C | 0.0000 | |
| 250 | Q | C | -1.7870 | |
| 251 | L | C | 0.0000 | |
| 252 | Q | C | -2.0682 | |
| 253 | M | C | 0.0000 | |
| 254 | T | C | -2.0710 | |
| 255 | V | C | 0.0000 | |
| 256 | N | C | -2.8042 | |
| 257 | N | C | -2.6126 | |
| 258 | Q | C | -2.8418 | |
| 259 | R | C | -2.8986 | |
| 260 | H | C | -2.2849 | |
| 261 | H | C | -2.5082 | |
| 262 | W | C | -1.4942 | |
| 263 | R | C | -2.5558 | |
| 264 | F | C | -1.6770 | |
| 265 | K | C | -2.8360 | |
| 266 | R | C | -2.4014 | |
| 267 | D | C | -2.8393 | |
| 268 | F | C | -2.0209 | |
| 269 | H | C | -1.6953 | |
| 270 | I | C | 0.0000 | |
| 271 | S | C | -0.4484 | |
| 272 | M | C | 0.2737 | |
| 273 | T | C | -0.2979 | |
| 274 | A | C | -1.0666 | |
| 275 | A | C | 0.0000 | |
| 276 | Q | C | -1.8941 | |
| 277 | K | C | -2.3757 | |
| 278 | Y | C | -1.5871 | |
| 279 | N | C | -1.8189 | |
| 280 | H | C | -2.1937 | |
| 281 | E | C | -2.6880 | |
| 282 | S | C | -1.8397 | |
| 283 | I | C | -2.5579 | |
| 284 | D | C | -3.4833 | |
| 285 | N | C | -3.1072 | |
| 286 | K | C | -2.6716 | |
| 287 | G | C | -1.1092 | |
| 288 | V | C | 1.3936 | |
| 289 | S | C | 1.7309 | |
| 290 | M | C | 2.9945 | |
| 291 | W | C | 3.2707 | |
| 292 | M | C | 3.6080 | |
| 293 | L | C | 3.8705 | |
| 294 | I | C | 3.4117 | |
| 295 | G | C | 3.0722 | |
| 296 | I | C | 3.9280 | |
| 297 | G | C | 3.0327 | |
| 298 | A | C | 3.2405 | |
| 299 | I | C | 4.3774 | |
| 300 | S | C | 3.5921 | |
| 301 | M | C | 3.7684 | |
| 302 | L | C | 4.3446 | |
| 303 | V | C | 4.4307 | |
| 304 | L | C | 3.9963 | |
| 305 | G | C | 3.3061 | |
| 306 | L | C | 3.9808 | |
| 307 | G | C | 3.4834 | |
| 308 | L | C | 3.7687 | |
| 309 | G | C | 3.4059 | |
| 310 | V | C | 3.8629 | |
| 311 | I | C | 4.2491 | |
| 312 | V | C | 3.4255 | |
| 313 | W | C | 2.4063 | |
| 314 | L | C | 1.7550 | |
| 315 | W | C | 0.7581 | |
| 316 | R | C | -1.7645 | |
| 317 | R | C | -3.1068 | |
| 318 | Q | C | -3.6654 | |
| 319 | R | C | -4.7800 | |
| 320 | R | C | -5.0225 | |
| 321 | S | C | -3.9920 | |
| 322 | K | C | -4.3531 | |
| 323 | D | C | -3.8177 | |
| 1 | D | D | -1.8872 | |
| 2 | T | D | -1.0380 | |
| 3 | P | D | -0.7818 | |
| 4 | A | D | -0.5719 | |
| 5 | A | D | -0.4494 | |
| 6 | P | D | -1.1044 | |
| 7 | N | D | -1.9369 | |
| 8 | A | D | -1.5827 | |
| 9 | D | D | -2.3030 | |
| 10 | S | D | -1.6218 | |
| 11 | T | D | -1.3175 | |
| 12 | A | D | -1.2638 | |
| 13 | N | D | -1.5716 | |
| 14 | T | D | -1.1340 | |
| 15 | T | D | -1.0113 | |
| 16 | G | D | -0.6465 | |
| 17 | T | D | -0.3687 | |
| 18 | T | D | 0.0000 | |
| 19 | D | D | -0.5657 | |
| 20 | I | D | 0.0000 | |
| 21 | Q | D | -1.2416 | |
| 22 | A | D | 0.0000 | |
| 23 | M | D | -1.2642 | |
| 24 | F | D | 0.0000 | |
| 25 | K | D | -2.0603 | |
| 26 | G | D | -1.4262 | |
| 27 | N | D | -1.1104 | |
| 28 | S | D | -0.8679 | |
| 29 | S | D | -0.6019 | |
| 30 | P | D | -0.7599 | |
| 31 | V | D | 0.0000 | |
| 32 | S | D | -1.1245 | |
| 33 | P | D | 0.0000 | |
| 34 | V | D | 0.0000 | |
| 35 | N | D | -2.3068 | |
| 36 | P | D | 0.0000 | |
| 37 | D | D | -2.6953 | |
| 38 | N | D | -2.4778 | |
| 39 | P | D | 0.0000 | |
| 40 | N | D | -2.2257 | |
| 41 | K | D | -2.6418 | |
| 42 | P | D | -1.7529 | |
| 43 | D | D | -1.9792 | |
| 44 | N | D | -2.1311 | |
| 45 | S | D | -1.5990 | |
| 46 | G | D | 0.0000 | |
| 47 | D | D | -2.2952 | |
| 48 | S | D | -1.2344 | |
| 49 | G | D | 0.0000 | |
| 50 | N | D | -1.7183 | |
| 51 | G | D | -1.8589 | |
| 52 | A | D | 0.0000 | |
| 53 | K | D | -1.9660 | |
| 54 | A | D | -0.8617 | |
| 55 | G | D | -0.5227 | |
| 56 | G | D | -0.5916 | |
| 57 | G | D | -0.4904 | |
| 58 | L | D | -0.1490 | |
| 59 | S | D | 0.0000 | |
| 60 | L | D | 0.0000 | |
| 61 | I | D | 0.0000 | |
| 62 | Y | D | 0.0000 | |
| 63 | V | D | 0.0000 | |
| 64 | S | D | 0.0000 | |
| 65 | N | D | -1.4480 | |
| 66 | K | D | -1.0537 | |
| 67 | L | D | 0.0000 | |
| 68 | D | D | -1.0162 | |
| 69 | F | D | 0.0000 | |
| 70 | G | D | 0.0000 | |
| 71 | S | D | -0.7705 | |
| 72 | H | D | -0.8838 | |
| 73 | E | D | -1.3374 | |
| 74 | I | D | -0.9161 | |
| 75 | D | D | -0.5039 | |
| 76 | V | D | 0.3138 | |
| 77 | L | D | 0.8231 | |
| 78 | N | D | -0.9546 | |
| 79 | P | D | -1.1431 | |
| 80 | E | D | -1.5117 | |
| 81 | T | D | -0.8467 | |
| 82 | Y | D | 0.0000 | |
| 83 | T | D | -0.9316 | |
| 84 | A | D | 0.0000 | |
| 85 | A | D | -1.4007 | |
| 86 | E | D | -1.2247 | |
| 87 | T | D | -1.2295 | |
| 88 | D | D | -2.1684 | |
| 89 | S | D | -1.4709 | |
| 90 | D | D | -1.2968 | |
| 91 | L | D | -1.0216 | |
| 92 | S | D | -0.7856 | |
| 93 | G | D | 0.0000 | |
| 94 | L | D | -1.3346 | |
| 95 | W | D | 0.0000 | |
| 96 | N | D | -2.4613 | |
| 97 | K | D | -2.6968 | |
| 98 | K | D | -2.0930 | |
| 99 | A | D | -1.1724 | |
| 100 | V | D | 0.0000 | |
| 101 | T | D | 0.0000 | |
| 102 | E | D | 0.0000 | |
| 103 | V | D | 0.0000 | |
| 104 | S | D | 0.0000 | |
| 105 | D | D | 0.0000 | |
| 106 | V | D | 0.0000 | |
| 107 | R | D | -0.9260 | |
| 108 | G | D | 0.0000 | |
| 109 | S | D | -1.0829 | |
| 110 | N | D | 0.0000 | |
| 111 | A | D | -1.6567 | |
| 112 | G | D | 0.0000 | |
| 113 | W | D | 0.0000 | |
| 114 | T | D | -0.6822 | |
| 115 | L | D | 0.0000 | |
| 116 | A | D | -0.3244 | |
| 117 | V | D | 0.0000 | |
| 118 | A | D | -1.3609 | |
| 119 | G | D | 0.0000 | |
| 120 | S | D | -1.2551 | |
| 121 | S | D | -1.3101 | |
| 122 | L | D | 0.0000 | |
| 123 | T | D | -0.9679 | |
| 124 | G | D | 0.0000 | |
| 125 | T | D | -1.4762 | |
| 126 | D | D | -2.2097 | |
| 127 | G | D | -1.3241 | |
| 128 | S | D | -0.9320 | |
| 129 | V | D | -0.4407 | |
| 130 | M | D | 0.0000 | |
| 131 | K | D | -1.9272 | |
| 132 | G | D | -1.4130 | |
| 133 | A | D | 0.0000 | |
| 134 | T | D | -0.6405 | |
| 135 | L | D | 0.0000 | |
| 136 | Q | D | -0.4811 | |
| 137 | L | D | 0.0000 | |
| 138 | P | D | -1.7949 | |
| 139 | K | D | -2.6802 | |
| 140 | G | D | 0.0000 | |
| 141 | T | D | -0.5447 | |
| 142 | V | D | -0.1203 | |
| 143 | T | D | -0.4477 | |
| 144 | N | D | -0.5513 | |
| 145 | S | D | 0.0000 | |
| 146 | G | D | -0.9552 | |
| 147 | A | D | -0.5944 | |
| 148 | T | D | -0.5743 | |
| 149 | N | D | -0.5768 | |
| 150 | N | D | 0.0000 | |
| 151 | G | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | Q | D | -1.0727 | |
| 154 | S | D | -1.2681 | |
| 155 | T | D | -1.3541 | |
| 156 | E | D | -1.6980 | |
| 157 | A | D | 0.0000 | |
| 158 | L | D | 0.8158 | |
| 159 | N | D | -0.3351 | |
| 160 | V | D | 0.0000 | |
| 161 | L | D | 0.0000 | |
| 162 | D | D | -2.2366 | |
| 163 | G | D | -1.8663 | |
| 164 | N | D | -1.7561 | |
| 165 | S | D | -1.2244 | |
| 166 | A | D | -0.4437 | |
| 167 | T | D | -0.3310 | |
| 168 | V | D | 0.0000 | |
| 169 | L | D | 0.0000 | |
| 170 | S | D | -0.7790 | |
| 171 | A | D | 0.0000 | |
| 172 | A | D | -1.5127 | |
| 173 | K | D | -2.8869 | |
| 174 | D | D | -2.7295 | |
| 175 | H | D | -1.6499 | |
| 176 | G | D | 0.0000 | |
| 177 | A | D | 0.0000 | |
| 178 | G | D | 0.0000 | |
| 179 | V | D | 0.0000 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | D | D | 0.0000 | |
| 183 | Q | D | 0.0000 | |
| 184 | I | D | 0.0000 | |
| 185 | D | D | -2.4323 | |
| 186 | P | D | 0.0000 | |
| 187 | S | D | -1.6336 | |
| 188 | N | D | -2.1634 | |
| 189 | V | D | 0.0000 | |
| 190 | K | D | -0.9833 | |
| 191 | L | D | 0.0000 | |
| 192 | T | D | -0.6640 | |
| 193 | V | D | 0.0000 | |
| 194 | P | D | -1.0653 | |
| 195 | A | D | -0.7188 | |
| 196 | N | D | -1.1826 | |
| 197 | T | D | -1.2326 | |
| 198 | A | D | -1.2094 | |
| 199 | K | D | -2.0251 | |
| 200 | A | D | -0.5046 | |
| 201 | Q | D | -0.7157 | |
| 202 | G | D | -0.8475 | |
| 203 | Y | D | 0.0000 | |
| 204 | Q | D | -1.2885 | |
| 205 | T | D | 0.0000 | |
| 206 | T | D | -1.1010 | |
| 207 | L | D | 0.0000 | |
| 208 | N | D | -1.7626 | |
| 209 | W | D | 0.0000 | |
| 210 | S | D | -0.4390 | |
| 211 | L | D | 0.0000 | |
| 212 | S | D | -0.7531 | |
| 213 | D | D | -1.8351 | |
| 214 | T | D | -1.2577 | |
| 215 | P | D | -1.4491 | |
| 216 | A | D | -0.8544 | |
| 217 | S | D | -0.5014 |
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 | -0.6873 | 6.941 | View | CSV | PDB |
| 4.5 | -0.7274 | 6.941 | View | CSV | PDB |
| 5.0 | -0.7713 | 6.941 | View | CSV | PDB |
| 5.5 | -0.809 | 6.941 | View | CSV | PDB |
| 6.0 | -0.8298 | 6.941 | View | CSV | PDB |
| 6.5 | -0.8276 | 6.941 | View | CSV | PDB |
| 7.0 | -0.8066 | 6.941 | View | CSV | PDB |
| 7.5 | -0.7753 | 6.941 | View | CSV | PDB |
| 8.0 | -0.7385 | 6.9408 | View | CSV | PDB |
| 8.5 | -0.6957 | 6.9404 | View | CSV | PDB |
| 9.0 | -0.6456 | 6.9389 | 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