| 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 |
A: KVVDEPTSAMQDITTNFEQRTIGRVPWPITHIAANYVRDGHMTHKTSRVKITLGKGVVHSPNGKGLYNLWDLVLNRQGKEYGATFLAYNINNRVWRPHRTDTIKTHGIKAGQPVWIGNKSSTNASSNPIRTLPAYMVTKQYCQMVSQIKLSPHITGFEANKRIITGTGTQGGDLITAKFGNQIKKTRVDHEGRWQMKCFSGNGHLMVTETNAYDDIPGHTETVINNGTPRTDATIKLNLFLTNGHTFSTAKGRKVLVTGMILGTDQNDFDRDVVLKNNALTIHFAHADGTPIANYKANGSVNEPDKAGYFHLKLPTESLKQGPNDVKVWVSDQHGQRSNIDTLTVNVNSGLMFGQINAQMRFRSNTIPHSERLLSPTNQWQIEVHDTRSVASKWYVYATATKMKSAQHSLIGDLVYIDAAGQKHVMTNQETLVGHGTHTNSNQQTTNIAATWQARQGIFLDVQPELYAGSYHGKINWSLQDTPQS
C: NRQQSVHNNNVGFSVAAEIPKNQIHKQNSFFDLKMASGQQQTLRTVIYNVTNKDIKVRTAIHTAYTNTNGTIEYINPAKSYDQSLKYRVSDLATIQGERTITIPAEGSKTVAIKVKLPKQPVNGVLLGGWYFKRVDDKVTGVTEKSINVKNEYSYVIGLKLSSGKLPIPNLCLGPVKAGLNNYHRSIIVALRNPVARIIPNLKIRTVIINKRHQKVIIKNTKTGVMMAPNTVFKAPMPLGSQQLQPGDYQLQMTVNNQRHHWRFKRDFHISMTAAQKYNHESIDNKGVS MWMLIGIGAISMLVLGLGLGVIVWLWRRQRRSKD B: VGGRSTVTVSFYAGQRTQQQIDNRNVKIPNGTRPYRVVTEKTLTRPKGYYQLPQTDEQLLTWFYASFGSVLLILLMVIRWFNKESYC D: DTPAAPNADSTANTTGTTDIQAMFKGNSSPVSPVNPDNPNKPDNSGDSGNGAKAGGGLSLIYVSNKLDFGSHEIDVLNPETYTAAETDSDLSGLWNKKAVTEVSDVRGSNAGWTLAVAGSSLTGTDGSVMKGATLQLPKGTVTNSGATNNGVQSTEALNVLDGNSATVLSAAKDHGAGVTVDQIDPSNVKLTVPANTAKAQGYQTTLNWSLSDTPAS (Red indicates removed residues) |
| 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) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB: Running AlphaCutter (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:26)
[INFO] FoldX: Starting FoldX energy minimization (00:00:26)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4b5a6c9b072dd05/tmp/folded.pdb (00:20:32)
[INFO] Main: Simulation completed successfully. (00:29:43)
|
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 | -0.9850 | |
| 15 | T | A | -0.5809 | |
| 16 | N | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | -1.0529 | |
| 19 | Q | A | -1.2407 | |
| 20 | R | A | -0.8111 | |
| 21 | T | A | -0.6603 | |
| 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 | -0.9544 | |
| 40 | G | A | -0.7270 | |
| 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 | -0.9533 | |
| 76 | R | A | 0.0000 | |
| 77 | Q | A | -1.2767 | |
| 78 | G | A | -1.0969 | |
| 79 | K | A | -1.6473 | |
| 80 | E | A | -1.5285 | |
| 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 | -0.3324 | |
| 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 | -0.5227 | |
| 124 | A | A | -0.2857 | |
| 125 | S | A | -0.2063 | |
| 126 | S | A | -0.7285 | |
| 127 | N | A | -1.0431 | |
| 128 | P | A | -0.0450 | |
| 129 | I | A | 0.9447 | |
| 130 | R | A | -0.9267 | |
| 131 | T | A | -0.2461 | |
| 132 | L | A | 1.3003 | |
| 133 | P | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | Y | A | 0.4612 | |
| 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 | -0.3848 | |
| 142 | C | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | M | A | -0.1472 | |
| 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 | -2.2002 | |
| 252 | G | A | -1.6792 | |
| 253 | R | A | 0.0000 | |
| 254 | K | A | -1.5884 | |
| 255 | V | A | 0.0000 | |
| 256 | L | A | -0.3309 | |
| 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 | -0.4731 | |
| 293 | A | A | -0.6206 | |
| 294 | N | A | -1.3654 | |
| 295 | Y | A | -1.2178 | |
| 296 | K | A | -2.1001 | |
| 297 | A | A | 0.0000 | |
| 298 | N | A | -2.0590 | |
| 299 | G | A | 0.0000 | |
| 300 | S | A | -1.2090 | |
| 301 | V | A | -0.6294 | |
| 302 | N | A | -1.3810 | |
| 303 | E | A | -2.1571 | |
| 304 | P | A | -2.0349 | |
| 305 | D | A | -3.0796 | |
| 306 | K | A | -2.3108 | |
| 307 | A | A | -1.2788 | |
| 308 | G | A | 0.0000 | |
| 309 | Y | A | -0.8480 | |
| 310 | F | A | 0.0000 | |
| 311 | H | A | -0.5811 | |
| 312 | L | A | 0.0000 | |
| 313 | K | A | -1.0829 | |
| 314 | L | A | 0.0000 | |
| 315 | P | A | -1.0125 | |
| 316 | T | A | 0.0000 | |
| 317 | E | A | -2.1081 | |
| 318 | S | A | -1.4572 | |
| 319 | L | A | 0.0000 | |
| 320 | K | A | -2.4565 | |
| 321 | Q | A | -1.7000 | |
| 322 | G | A | 0.0000 | |
| 323 | P | A | -0.9971 | |
| 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 | -0.5485 | |
| 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 | -0.3381 | |
| 358 | A | A | 0.0000 | |
| 359 | Q | A | -0.7199 | |
| 360 | M | A | 0.0000 | |
| 361 | R | A | -1.0645 | |
| 362 | F | A | 0.0000 | |
| 363 | R | A | -2.1089 | |
| 364 | S | A | -1.5327 | |
| 365 | N | A | -1.1721 | |
| 366 | T | A | -1.1657 | |
| 367 | I | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | H | A | -1.1204 | |
| 370 | S | A | 0.0000 | |
| 371 | E | A | -1.9419 | |
| 372 | R | A | -1.6088 | |
| 373 | L | A | -0.2647 | |
| 374 | L | A | 0.0000 | |
| 375 | S | A | -0.7089 | |
| 376 | P | A | -0.5756 | |
| 377 | T | A | -0.7268 | |
| 378 | N | A | 0.0000 | |
| 379 | Q | A | -0.5988 | |
| 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 | -0.8007 | |
| 388 | R | A | -0.7112 | |
| 389 | S | A | -0.2949 | |
| 390 | V | A | 0.7445 | |
| 391 | A | A | 0.2181 | |
| 392 | S | A | -0.2260 | |
| 393 | K | A | -0.7933 | |
| 394 | W | A | 0.0000 | |
| 395 | Y | A | -0.3962 | |
| 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 | -1.0917 | |
| 402 | K | A | -1.1646 | |
| 403 | M | A | 0.0000 | |
| 404 | K | A | -2.0479 | |
| 405 | S | A | -1.6423 | |
| 406 | A | A | -1.2742 | |
| 407 | Q | A | -1.5881 | |
| 408 | H | A | -1.2004 | |
| 409 | S | A | -1.0630 | |
| 410 | L | A | 0.0000 | |
| 411 | I | A | 0.1512 | |
| 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 | -1.1674 | |
| 419 | A | A | -0.9033 | |
| 420 | A | A | -0.7437 | |
| 421 | G | A | -1.3856 | |
| 422 | Q | A | -1.2883 | |
| 423 | K | A | -1.0383 | |
| 424 | H | A | -0.5709 | |
| 425 | V | A | -0.2878 | |
| 426 | M | A | 0.0000 | |
| 427 | T | A | -0.8114 | |
| 428 | N | A | -1.4213 | |
| 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 | -1.0520 | |
| 436 | G | A | -0.8121 | |
| 437 | T | A | -0.3119 | |
| 438 | H | A | 0.0000 | |
| 439 | T | A | -0.5568 | |
| 440 | N | A | -1.2704 | |
| 441 | S | A | -1.3028 | |
| 442 | N | A | -1.8416 | |
| 443 | Q | A | -1.5072 | |
| 444 | Q | A | -1.0119 | |
| 445 | T | A | -0.3424 | |
| 446 | T | A | -0.3629 | |
| 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 | -1.7722 | |
| 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 | -0.6457 | |
| 466 | L | A | 0.0000 | |
| 467 | Y | A | -0.6631 | |
| 468 | A | A | -0.7998 | |
| 469 | G | A | -1.2776 | |
| 470 | S | A | -1.2562 | |
| 471 | Y | A | 0.0000 | |
| 472 | H | A | -1.0895 | |
| 473 | G | A | 0.0000 | |
| 474 | K | A | -1.0302 | |
| 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 | -0.6519 | |
| 485 | S | A | -0.6139 | |
| 1 | N | C | -2.4414 | |
| 2 | R | C | -2.9407 | |
| 3 | Q | C | -2.4287 | |
| 4 | Q | C | -1.6250 | |
| 5 | S | C | -0.7955 | |
| 6 | V | C | 0.0488 | |
| 7 | H | C | 0.0000 | |
| 8 | N | C | 0.0000 | |
| 9 | N | C | 0.0000 | |
| 10 | N | C | -0.4287 | |
| 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 | -0.5919 | |
| 17 | A | C | -1.0197 | |
| 18 | E | C | -2.0868 | |
| 19 | I | C | -1.1964 | |
| 20 | P | C | -1.3832 | |
| 21 | K | C | -2.1540 | |
| 22 | N | C | -1.5229 | |
| 23 | Q | C | 0.0000 | |
| 24 | I | C | -1.2065 | |
| 25 | H | C | -1.8486 | |
| 26 | K | C | -2.6487 | |
| 27 | Q | C | -2.0171 | |
| 28 | N | C | -1.5578 | |
| 29 | S | C | -1.1106 | |
| 30 | F | C | 0.0000 | |
| 31 | F | C | 0.0000 | |
| 32 | D | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | K | C | -1.9213 | |
| 35 | M | C | 0.0000 | |
| 36 | A | C | -1.3631 | |
| 37 | S | C | -1.6903 | |
| 38 | G | C | -1.9408 | |
| 39 | Q | C | -1.6485 | |
| 40 | Q | C | -2.0145 | |
| 41 | Q | C | -1.4009 | |
| 42 | T | C | -1.1568 | |
| 43 | L | C | 0.0000 | |
| 44 | R | C | -2.1416 | |
| 45 | T | C | 0.0000 | |
| 46 | V | C | -0.9077 | |
| 47 | I | C | 0.0000 | |
| 48 | Y | C | 0.0000 | |
| 49 | N | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | T | C | -1.6889 | |
| 52 | N | C | -2.4683 | |
| 53 | K | C | -2.7056 | |
| 54 | D | C | -2.9983 | |
| 55 | I | C | 0.0000 | |
| 56 | K | C | -1.9116 | |
| 57 | V | C | 0.0000 | |
| 58 | R | C | -2.1924 | |
| 59 | T | C | 0.0000 | |
| 60 | A | C | 0.0000 | |
| 61 | I | C | 0.0000 | |
| 62 | H | C | -0.6526 | |
| 63 | T | C | 0.0000 | |
| 64 | A | C | 0.0000 | |
| 65 | Y | C | 0.2159 | |
| 66 | T | C | 0.0000 | |
| 67 | N | C | 0.0000 | |
| 68 | T | C | -0.3469 | |
| 69 | N | C | -0.3896 | |
| 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 | -0.8483 | |
| 77 | P | C | -0.9357 | |
| 78 | A | C | -1.0890 | |
| 79 | K | C | -1.8081 | |
| 80 | S | C | -0.9962 | |
| 81 | Y | C | -0.6114 | |
| 82 | D | C | 0.0000 | |
| 83 | Q | C | -1.4193 | |
| 84 | S | C | -0.8924 | |
| 85 | L | C | -1.0229 | |
| 86 | K | C | -1.9387 | |
| 87 | Y | C | -1.4249 | |
| 88 | R | C | -1.8448 | |
| 89 | V | C | 0.0000 | |
| 90 | S | C | -1.2518 | |
| 91 | D | C | -2.2049 | |
| 92 | L | C | -1.4821 | |
| 93 | A | C | 0.0000 | |
| 94 | T | C | -0.7571 | |
| 95 | I | C | -0.9541 | |
| 96 | Q | C | -1.6899 | |
| 97 | G | C | -1.9732 | |
| 98 | E | C | -3.1027 | |
| 99 | R | C | -3.0333 | |
| 100 | T | C | -2.1610 | |
| 101 | I | C | 0.0000 | |
| 102 | T | C | -1.4449 | |
| 103 | I | C | 0.0000 | |
| 104 | P | C | -1.7361 | |
| 105 | A | C | -2.0995 | |
| 106 | E | C | -1.7561 | |
| 107 | G | C | -1.2485 | |
| 108 | S | C | -0.7647 | |
| 109 | K | C | -0.9007 | |
| 110 | T | C | -1.0055 | |
| 111 | V | C | 0.0000 | |
| 112 | A | C | -1.4320 | |
| 113 | I | C | 0.0000 | |
| 114 | K | C | -1.3733 | |
| 115 | V | C | 0.0000 | |
| 116 | K | C | -2.1781 | |
| 117 | L | C | 0.0000 | |
| 118 | P | C | -1.6343 | |
| 119 | K | C | -2.4732 | |
| 120 | Q | C | -1.9135 | |
| 121 | P | C | -1.6379 | |
| 122 | V | C | 0.0000 | |
| 123 | N | C | -1.8567 | |
| 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 | -0.8917 | |
| 134 | R | C | -1.1843 | |
| 135 | V | C | -1.3912 | |
| 136 | D | C | -2.4122 | |
| 137 | D | C | -2.6661 | |
| 138 | K | C | -2.0162 | |
| 139 | V | C | 0.3967 | |
| 140 | T | C | 0.1319 | |
| 141 | G | C | 0.3285 | |
| 142 | V | C | 1.0551 | |
| 143 | T | C | -0.4570 | |
| 144 | E | C | -1.7009 | |
| 145 | K | C | -1.3889 | |
| 146 | S | C | 0.0000 | |
| 147 | I | C | 0.0000 | |
| 148 | N | C | -0.9132 | |
| 149 | V | C | 0.0000 | |
| 150 | K | C | -0.6819 | |
| 151 | N | C | 0.0000 | |
| 152 | E | C | -0.6316 | |
| 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 | -1.8380 | |
| 165 | K | C | -1.7109 | |
| 166 | L | C | -0.0617 | |
| 167 | P | C | 0.3612 | |
| 168 | I | C | 1.6612 | |
| 169 | P | C | 0.0000 | |
| 170 | N | C | -0.6523 | |
| 171 | L | C | 0.0000 | |
| 172 | C | C | -0.1026 | |
| 173 | L | C | 0.0000 | |
| 174 | G | C | -0.3353 | |
| 175 | P | C | -0.7165 | |
| 176 | V | C | -1.1847 | |
| 177 | K | C | -1.7043 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | L | C | 0.2315 | |
| 181 | N | C | -0.0574 | |
| 182 | N | C | -0.0981 | |
| 183 | Y | C | 0.0722 | |
| 184 | H | C | -0.4535 | |
| 185 | R | C | -0.5677 | |
| 186 | S | C | 0.0000 | |
| 187 | I | C | 0.0000 | |
| 188 | I | C | -0.5022 | |
| 189 | V | C | 0.0000 | |
| 190 | A | C | 0.0000 | |
| 191 | L | C | 0.0000 | |
| 192 | R | C | -0.4381 | |
| 193 | N | C | 0.0000 | |
| 194 | P | C | -0.3803 | |
| 195 | V | C | 0.1076 | |
| 196 | A | C | -0.4474 | |
| 197 | R | C | -0.2944 | |
| 198 | I | C | 0.0000 | |
| 199 | I | C | 0.0000 | |
| 200 | P | C | -1.4223 | |
| 201 | N | C | -2.0680 | |
| 202 | L | C | 0.0000 | |
| 203 | K | C | -2.4376 | |
| 204 | I | C | 0.0000 | |
| 205 | R | C | -2.7624 | |
| 206 | T | C | 0.0000 | |
| 207 | V | C | -0.9053 | |
| 208 | I | C | 0.0000 | |
| 209 | I | C | -1.4282 | |
| 210 | N | C | 0.0000 | |
| 211 | K | C | -3.1318 | |
| 212 | R | C | -3.4076 | |
| 213 | H | C | -3.2233 | |
| 214 | Q | C | -3.1281 | |
| 215 | K | C | -2.7013 | |
| 216 | V | C | -0.9453 | |
| 217 | I | C | -0.5203 | |
| 218 | I | C | 0.0000 | |
| 219 | K | C | -1.8860 | |
| 220 | N | C | -1.5587 | |
| 221 | T | C | -1.6294 | |
| 222 | K | C | -1.3030 | |
| 223 | T | C | -1.4059 | |
| 224 | G | C | -1.3397 | |
| 225 | V | C | 0.0000 | |
| 226 | M | C | -0.6292 | |
| 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 | -0.0633 | |
| 233 | F | C | 0.0000 | |
| 234 | K | C | -0.8113 | |
| 235 | A | C | 0.0000 | |
| 236 | P | C | 0.0000 | |
| 237 | M | C | 0.0000 | |
| 238 | P | C | -0.6572 | |
| 239 | L | C | 0.0000 | |
| 240 | G | C | -1.0348 | |
| 241 | S | C | -1.2736 | |
| 242 | Q | C | -1.6046 | |
| 243 | Q | C | -1.9931 | |
| 244 | L | C | 0.0000 | |
| 245 | Q | C | -1.1550 | |
| 246 | P | C | -0.6024 | |
| 247 | G | C | -1.0171 | |
| 248 | D | C | -1.9772 | |
| 249 | Y | C | 0.0000 | |
| 250 | Q | C | -1.8544 | |
| 251 | L | C | 0.0000 | |
| 252 | Q | C | -2.1447 | |
| 253 | M | C | 0.0000 | |
| 254 | T | C | -1.9567 | |
| 255 | V | C | 0.0000 | |
| 256 | N | C | -2.4566 | |
| 257 | N | C | -2.4672 | |
| 258 | Q | C | -2.7698 | |
| 259 | R | C | -2.8294 | |
| 260 | H | C | -2.1430 | |
| 261 | H | C | -2.2897 | |
| 262 | W | C | -1.3708 | |
| 263 | R | C | -2.4992 | |
| 264 | F | C | -1.6858 | |
| 265 | K | C | -2.8532 | |
| 266 | R | C | -2.4040 | |
| 267 | D | C | -2.8299 | |
| 268 | F | C | -2.0059 | |
| 269 | H | C | -1.6888 | |
| 270 | I | C | 0.0000 | |
| 271 | S | C | -0.4403 | |
| 272 | M | C | 0.2872 | |
| 273 | T | C | -0.2294 | |
| 274 | A | C | -0.9812 | |
| 275 | A | C | 0.0000 | |
| 276 | Q | C | -1.7664 | |
| 277 | K | C | -2.0971 | |
| 278 | Y | C | -1.3919 | |
| 279 | N | C | -1.7034 | |
| 280 | H | C | -2.0830 | |
| 281 | E | C | -2.3777 | |
| 282 | S | C | -1.7058 | |
| 283 | I | C | -2.4523 | |
| 284 | D | C | -3.3815 | |
| 285 | N | C | -3.0172 | |
| 286 | K | C | -2.5692 | |
| 287 | G | C | -1.1865 | |
| 288 | V | C | 0.8031 | |
| 289 | S | C | 0.2142 | |
| 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 | -1.2631 | |
| 13 | N | D | -1.5694 | |
| 14 | T | D | -1.1299 | |
| 15 | T | D | -1.0099 | |
| 16 | G | D | -0.6796 | |
| 17 | T | D | -0.4426 | |
| 18 | T | D | 0.0000 | |
| 19 | D | D | -0.7314 | |
| 20 | I | D | 0.0000 | |
| 21 | Q | D | -1.2419 | |
| 22 | A | D | 0.0000 | |
| 23 | M | D | -1.1916 | |
| 24 | F | D | 0.0000 | |
| 25 | K | D | -1.9587 | |
| 26 | G | D | -1.3690 | |
| 27 | N | D | -1.0751 | |
| 28 | S | D | -0.8450 | |
| 29 | S | D | -0.6055 | |
| 30 | P | D | -0.7567 | |
| 31 | V | D | 0.0000 | |
| 32 | S | D | -1.1319 | |
| 33 | P | D | 0.0000 | |
| 34 | V | D | 0.0000 | |
| 35 | N | D | -2.3142 | |
| 36 | P | D | 0.0000 | |
| 37 | D | D | -2.7007 | |
| 38 | N | D | -2.4910 | |
| 39 | P | D | 0.0000 | |
| 40 | N | D | -2.2323 | |
| 41 | K | D | -2.6522 | |
| 42 | P | D | -1.7692 | |
| 43 | D | D | -1.9879 | |
| 44 | N | D | -2.1365 | |
| 45 | S | D | -1.6029 | |
| 46 | G | D | 0.0000 | |
| 47 | D | D | -2.4293 | |
| 48 | S | D | -1.3924 | |
| 49 | G | D | 0.0000 | |
| 50 | N | D | -1.8914 | |
| 51 | G | D | -1.7934 | |
| 52 | A | D | -1.3779 | |
| 53 | K | D | -1.9744 | |
| 54 | A | D | -1.0003 | |
| 55 | G | D | -0.7580 | |
| 56 | G | D | -0.5543 | |
| 57 | G | D | -0.4263 | |
| 58 | L | D | -0.2773 | |
| 59 | S | D | -0.3898 | |
| 60 | L | D | -0.1456 | |
| 61 | I | D | 0.0000 | |
| 62 | Y | D | 0.0000 | |
| 63 | V | D | 0.0000 | |
| 64 | S | D | -1.1615 | |
| 65 | N | D | -1.9428 | |
| 66 | K | D | -1.4487 | |
| 67 | L | D | -0.5828 | |
| 68 | D | D | -1.1682 | |
| 69 | F | D | -0.7774 | |
| 70 | G | D | -1.2908 | |
| 71 | S | D | -1.3493 | |
| 72 | H | D | -1.5888 | |
| 73 | E | D | -1.7904 | |
| 74 | I | D | -0.5191 | |
| 75 | D | D | -0.1167 | |
| 76 | V | D | 1.3011 | |
| 77 | L | D | 1.3070 | |
| 78 | N | D | -0.6765 | |
| 79 | P | D | -0.9496 | |
| 80 | E | D | -1.3640 | |
| 81 | T | D | -0.6896 | |
| 82 | Y | D | -0.5824 | |
| 83 | T | D | -0.7668 | |
| 84 | A | D | 0.0000 | |
| 85 | A | D | -1.3567 | |
| 86 | E | D | -1.2766 | |
| 87 | T | D | -1.2207 | |
| 88 | D | D | -2.2452 | |
| 89 | S | D | -1.5156 | |
| 90 | D | D | -1.3704 | |
| 91 | L | D | -1.0776 | |
| 92 | S | D | -0.9687 | |
| 93 | G | D | 0.0000 | |
| 94 | L | D | -1.5200 | |
| 95 | W | D | 0.0000 | |
| 96 | N | D | -2.4477 | |
| 97 | K | D | -2.6821 | |
| 98 | K | D | -2.0558 | |
| 99 | A | D | -1.2655 | |
| 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 | -0.8784 | |
| 108 | G | D | 0.0000 | |
| 109 | S | D | -1.0733 | |
| 110 | N | D | 0.0000 | |
| 111 | A | D | -1.6485 | |
| 112 | G | D | 0.0000 | |
| 113 | W | D | 0.0000 | |
| 114 | T | D | -0.5953 | |
| 115 | L | D | 0.0000 | |
| 116 | A | D | -0.1998 | |
| 117 | V | D | 0.0000 | |
| 118 | A | D | -1.2038 | |
| 119 | G | D | 0.0000 | |
| 120 | S | D | -1.3215 | |
| 121 | S | D | -1.3154 | |
| 122 | L | D | 0.0000 | |
| 123 | T | D | -0.9483 | |
| 124 | G | D | 0.0000 | |
| 125 | T | D | -1.4880 | |
| 126 | D | D | -2.1551 | |
| 127 | G | D | -1.2593 | |
| 128 | S | D | -0.8954 | |
| 129 | V | D | -0.4642 | |
| 130 | M | D | 0.0000 | |
| 131 | K | D | -1.9575 | |
| 132 | G | D | -1.4332 | |
| 133 | A | D | 0.0000 | |
| 134 | T | D | -0.5925 | |
| 135 | L | D | 0.0000 | |
| 136 | Q | D | -0.4982 | |
| 137 | L | D | 0.0000 | |
| 138 | P | D | 0.0000 | |
| 139 | K | D | -2.8549 | |
| 140 | G | D | 0.0000 | |
| 141 | T | D | -0.5408 | |
| 142 | V | D | -0.1192 | |
| 143 | T | D | -0.4509 | |
| 144 | N | D | -0.5533 | |
| 145 | S | D | 0.0000 | |
| 146 | G | D | -0.9562 | |
| 147 | A | D | -0.5715 | |
| 148 | T | D | -0.5199 | |
| 149 | N | D | -0.5589 | |
| 150 | N | D | 0.0000 | |
| 151 | G | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | Q | D | -1.1085 | |
| 154 | S | D | -1.3849 | |
| 155 | T | D | -1.5916 | |
| 156 | E | D | -2.1710 | |
| 157 | A | D | 0.0000 | |
| 158 | L | D | 0.7097 | |
| 159 | N | D | -0.3618 | |
| 160 | V | D | 0.0000 | |
| 161 | L | D | 0.0000 | |
| 162 | D | D | -2.3293 | |
| 163 | G | D | -1.9271 | |
| 164 | N | D | -1.7820 | |
| 165 | S | D | -1.2381 | |
| 166 | A | D | -0.4900 | |
| 167 | T | D | -0.3497 | |
| 168 | V | D | 0.0000 | |
| 169 | L | D | 0.0000 | |
| 170 | S | D | -0.7567 | |
| 171 | A | D | 0.0000 | |
| 172 | A | D | -1.5188 | |
| 173 | K | D | -2.8911 | |
| 174 | D | D | -2.7363 | |
| 175 | H | D | -1.6673 | |
| 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 | -2.4064 | |
| 186 | P | D | 0.0000 | |
| 187 | S | D | -1.5906 | |
| 188 | N | D | -2.0642 | |
| 189 | V | D | 0.0000 | |
| 190 | K | D | -0.7620 | |
| 191 | L | D | -0.4500 | |
| 192 | T | D | -0.5374 | |
| 193 | V | D | 0.0000 | |
| 194 | P | D | -0.8714 | |
| 195 | A | D | -0.3275 | |
| 196 | N | D | -0.6458 | |
| 197 | T | D | -0.9840 | |
| 198 | A | D | -1.2032 | |
| 199 | K | D | -2.2182 | |
| 200 | A | D | -1.0864 | |
| 201 | Q | D | -1.2206 | |
| 202 | G | D | -1.2750 | |
| 203 | Y | D | -1.0361 | |
| 204 | Q | D | -1.2842 | |
| 205 | T | D | -0.8154 | |
| 206 | T | D | -0.7766 | |
| 207 | L | D | -0.7432 | |
| 208 | N | D | -1.2242 | |
| 209 | W | D | -0.4097 | |
| 210 | S | D | -0.2677 | |
| 211 | L | D | -0.2382 | |
| 212 | S | D | -0.8213 | |
| 213 | D | D | -1.9422 | |
| 214 | T | D | -1.2118 | |
| 215 | P | D | -1.4452 | |
| 216 | A | D | -0.8581 | |
| 217 | S | D | -0.4993 |
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 | -0.8532 | 2.8865 | View | CSV | PDB |
| 4.5 | -0.8942 | 2.8795 | View | CSV | PDB |
| 5.0 | -0.9386 | 2.8718 | View | CSV | PDB |
| 5.5 | -0.9763 | 2.8641 | View | CSV | PDB |
| 6.0 | -0.9965 | 2.8571 | View | CSV | PDB |
| 6.5 | -0.9934 | 2.8515 | View | CSV | PDB |
| 7.0 | -0.9714 | 2.8475 | View | CSV | PDB |
| 7.5 | -0.9394 | 2.8446 | View | CSV | PDB |
| 8.0 | -0.9018 | 2.8425 | View | CSV | PDB |
| 8.5 | -0.858 | 2.8416 | View | CSV | PDB |
| 9.0 | -0.8062 | 2.8423 | 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