| Chain sequence(s) |
A: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
C: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC B: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF D: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC input PDB |
| Selected Chain(s) | A,C,B,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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/345efb3f30786b0/tmp/folded.pdb (00:11:28)
[INFO] Main: Simulation completed successfully. (00:19:09)
|
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 | A | A | 0.7667 | |
| 2 | V | A | 1.7730 | |
| 3 | P | A | 0.4850 | |
| 4 | G | A | 0.1649 | |
| 5 | L | A | 0.6593 | |
| 6 | R | A | -1.4582 | |
| 7 | A | A | -0.8684 | |
| 8 | A | A | -0.9698 | |
| 9 | E | A | -1.7688 | |
| 10 | T | A | -1.4294 | |
| 11 | L | A | 0.0000 | |
| 12 | D | A | -2.2666 | |
| 13 | E | A | 0.0000 | |
| 14 | S | A | -1.0492 | |
| 15 | G | A | -0.5272 | |
| 16 | G | A | -0.8235 | |
| 17 | G | A | -0.5890 | |
| 18 | L | A | -0.1121 | |
| 19 | V | A | -0.2308 | |
| 20 | S | A | -0.6312 | |
| 21 | P | A | -1.1883 | |
| 22 | G | A | -1.1147 | |
| 23 | G | A | -0.7778 | |
| 24 | S | A | -0.7076 | |
| 25 | L | A | -0.2131 | |
| 26 | T | A | -0.1888 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.0691 | |
| 29 | C | A | 0.0000 | |
| 30 | K | A | -1.7026 | |
| 31 | G | A | 0.0000 | |
| 32 | S | A | -1.0334 | |
| 33 | G | A | -1.1055 | |
| 34 | F | A | -0.6749 | |
| 35 | T | A | -0.4110 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | -0.9189 | |
| 38 | S | A | -0.3170 | |
| 39 | N | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | M | A | 0.0000 | |
| 42 | Y | A | 0.0000 | |
| 43 | W | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | R | A | 0.0000 | |
| 46 | Q | A | -1.0560 | |
| 47 | A | A | -1.4646 | |
| 48 | P | A | -1.3725 | |
| 49 | G | A | -1.7179 | |
| 50 | K | A | -1.7686 | |
| 51 | G | A | -0.8717 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -0.2868 | |
| 54 | W | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | T | A | -0.5934 | |
| 61 | G | A | -0.3718 | |
| 62 | G | A | -0.1033 | |
| 63 | Y | A | 1.0914 | |
| 64 | T | A | 0.5826 | |
| 65 | G | A | 0.3383 | |
| 66 | Y | A | -0.2975 | |
| 67 | A | A | 0.0000 | |
| 68 | P | A | -0.7852 | |
| 69 | A | A | -0.8550 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -2.0466 | |
| 72 | G | A | -1.5287 | |
| 73 | R | A | -1.3275 | |
| 74 | F | A | 0.0000 | |
| 75 | T | A | -0.6808 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -0.3528 | |
| 78 | R | A | -1.2269 | |
| 79 | N | A | -1.9293 | |
| 80 | N | A | -1.8916 | |
| 81 | G | A | -1.6671 | |
| 82 | Q | A | -2.0830 | |
| 83 | S | A | -1.5403 | |
| 84 | T | A | -1.4189 | |
| 85 | L | A | 0.0000 | |
| 86 | T | A | -0.2399 | |
| 87 | L | A | 0.0000 | |
| 88 | Q | A | -0.4467 | |
| 89 | M | A | 0.0000 | |
| 90 | N | A | -1.1323 | |
| 91 | S | A | -1.0893 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -1.9947 | |
| 94 | A | A | -1.3932 | |
| 95 | E | A | -2.1758 | |
| 96 | D | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | T | A | -0.9653 | |
| 100 | Y | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | C | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | K | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.1255 | |
| 108 | Y | A | 0.7832 | |
| 109 | A | A | -0.1333 | |
| 110 | N | A | -0.9740 | |
| 111 | C | A | 0.0000 | |
| 112 | A | A | 0.1064 | |
| 113 | G | A | 0.0000 | |
| 114 | Y | A | 0.8274 | |
| 115 | G | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | D | A | -0.3459 | |
| 122 | L | A | 0.0567 | |
| 123 | W | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | H | A | -1.2854 | |
| 126 | G | A | -1.3025 | |
| 127 | T | A | 0.0000 | |
| 128 | E | A | -1.8253 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | -0.5658 | |
| 133 | S | A | -0.4152 | |
| 134 | G | A | -0.4311 | |
| 135 | S | A | -0.4542 | |
| 136 | P | A | -0.4117 | |
| 137 | T | A | -0.3466 | |
| 138 | A | A | -0.7090 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.2447 | |
| 141 | V | A | -0.0787 | |
| 142 | F | A | 0.0000 | |
| 143 | P | A | -0.6893 | |
| 144 | I | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | C | A | -0.3133 | |
| 149 | G | A | -0.7546 | |
| 150 | S | A | -0.7023 | |
| 151 | T | A | -0.8962 | |
| 152 | Q | A | -1.0351 | |
| 153 | Q | A | -1.6354 | |
| 154 | Q | A | -1.3248 | |
| 155 | P | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | -0.3651 | |
| 164 | Y | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | P | A | 0.0000 | |
| 167 | G | A | -0.7753 | |
| 168 | P | A | -0.9035 | |
| 169 | A | A | 0.0000 | |
| 170 | T | A | -0.7465 | |
| 171 | F | A | -0.2357 | |
| 172 | S | A | -0.3099 | |
| 173 | W | A | -0.3072 | |
| 174 | S | A | -0.4756 | |
| 175 | G | A | -0.6137 | |
| 176 | A | A | -0.4872 | |
| 177 | S | A | -0.5899 | |
| 178 | G | A | -0.8848 | |
| 179 | A | A | -0.7523 | |
| 180 | T | A | -0.2930 | |
| 181 | S | A | -0.1521 | |
| 182 | V | A | -0.0989 | |
| 183 | T | A | -0.1652 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.5601 | |
| 186 | E | A | -0.8586 | |
| 187 | T | A | 0.0000 | |
| 188 | H | A | -1.3908 | |
| 189 | G | A | -0.5101 | |
| 190 | V | A | 0.0337 | |
| 191 | G | A | -0.3256 | |
| 192 | P | A | -0.4906 | |
| 193 | H | A | 0.0000 | |
| 194 | K | A | -0.7603 | |
| 195 | R | A | -0.5110 | |
| 196 | A | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -0.5851 | |
| 201 | P | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | H | A | -1.5390 | |
| 204 | A | A | -0.6397 | |
| 205 | G | A | -0.5227 | |
| 206 | S | A | -0.2833 | |
| 207 | G | A | -0.5189 | |
| 208 | D | A | -0.1641 | |
| 209 | F | A | 0.4036 | |
| 210 | F | A | 0.0000 | |
| 211 | T | A | -0.5619 | |
| 212 | C | A | 0.0000 | |
| 213 | S | A | -0.5265 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -1.8975 | |
| 216 | H | A | 0.0000 | |
| 217 | Q | A | -2.3050 | |
| 218 | A | A | -1.3314 | |
| 219 | T | A | -1.5358 | |
| 220 | R | A | -2.5908 | |
| 221 | T | A | -1.5610 | |
| 222 | S | A | -1.1501 | |
| 223 | L | A | -0.0892 | |
| 224 | T | A | -0.4619 | |
| 225 | Q | A | -0.7278 | |
| 226 | N | A | -1.1953 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | C | A | 0.3437 | |
| 231 | V | A | 0.1228 | |
| 232 | A | A | -0.7018 | |
| 233 | G | A | -1.1925 | |
| 234 | G | A | -1.7813 | |
| 235 | E | A | -2.4171 | |
| 236 | P | A | -1.4352 | |
| 237 | T | A | -1.1364 | |
| 238 | P | A | -1.1765 | |
| 239 | P | A | 0.0000 | |
| 240 | E | A | -2.1277 | |
| 241 | V | A | 0.0000 | |
| 242 | Q | A | -1.2538 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | S | A | -0.4096 | |
| 247 | S | A | 0.0000 | |
| 248 | V | A | -0.1847 | |
| 249 | C | A | 0.2731 | |
| 250 | S | A | 0.2419 | |
| 251 | T | A | 0.4901 | |
| 252 | L | A | 0.5400 | |
| 253 | G | A | -1.0419 | |
| 254 | D | A | -2.5431 | |
| 255 | D | A | -3.2055 | |
| 256 | S | A | -2.5816 | |
| 257 | V | A | 0.0000 | |
| 258 | E | A | -1.1382 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | V | A | -0.2973 | |
| 263 | I | A | 0.0000 | |
| 264 | T | A | -0.8752 | |
| 265 | G | A | -1.0105 | |
| 266 | F | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | P | A | -0.8621 | |
| 269 | P | A | -0.4773 | |
| 270 | P | A | -0.8562 | |
| 271 | V | A | -1.2066 | |
| 272 | E | A | -2.3720 | |
| 273 | V | A | -1.5879 | |
| 274 | E | A | -2.1567 | |
| 275 | W | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | V | A | -1.1883 | |
| 278 | D | A | -2.1780 | |
| 279 | G | A | -1.5091 | |
| 280 | A | A | -0.8454 | |
| 281 | P | A | -1.0295 | |
| 282 | A | A | -0.6640 | |
| 283 | H | A | -0.5469 | |
| 284 | L | A | 0.2819 | |
| 285 | V | A | 1.4291 | |
| 286 | A | A | 0.3956 | |
| 287 | T | A | 0.0926 | |
| 288 | M | A | 0.1355 | |
| 289 | T | A | -0.7738 | |
| 290 | R | A | -1.7274 | |
| 291 | P | A | -1.1947 | |
| 292 | Q | A | -1.4553 | |
| 293 | R | A | -1.6515 | |
| 294 | E | A | -1.4482 | |
| 295 | A | A | -1.0553 | |
| 296 | G | A | -0.9320 | |
| 297 | S | A | -1.2018 | |
| 298 | K | A | -1.9383 | |
| 299 | T | A | -1.3980 | |
| 300 | Y | A | 0.0000 | |
| 301 | M | A | -0.7444 | |
| 302 | A | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | Q | A | -0.4943 | |
| 306 | T | A | 0.0000 | |
| 307 | N | A | -1.3890 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | -2.4954 | |
| 310 | R | A | -3.2613 | |
| 311 | E | A | -3.4417 | |
| 312 | D | A | -2.6177 | |
| 313 | W | A | 0.0000 | |
| 314 | K | A | -2.3995 | |
| 315 | A | A | -1.8809 | |
| 316 | G | A | -1.7026 | |
| 317 | K | A | -2.0658 | |
| 318 | A | A | -1.5756 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | C | A | 0.0000 | |
| 322 | R | A | -2.3146 | |
| 323 | V | A | 0.0000 | |
| 324 | K | A | -2.2613 | |
| 325 | H | A | 0.0000 | |
| 326 | P | A | -0.9674 | |
| 327 | A | A | -1.0248 | |
| 328 | T | A | -0.7886 | |
| 329 | G | A | -0.8419 | |
| 330 | G | A | -0.7532 | |
| 331 | T | A | -1.4517 | |
| 332 | A | A | -1.4813 | |
| 333 | Q | A | -2.1465 | |
| 334 | G | A | 0.0000 | |
| 335 | H | A | -1.5514 | |
| 336 | A | A | 0.0000 | |
| 337 | R | A | -1.6355 | |
| 338 | F | A | -0.9665 | |
| 339 | C | A | -0.4577 | |
| 340 | P | A | -0.7490 | |
| 341 | E | A | -0.8663 | |
| 342 | F | A | 0.8245 | |
| 1 | A | B | 0.7674 | |
| 2 | V | B | 1.7743 | |
| 3 | P | B | 0.4873 | |
| 4 | G | B | 0.1642 | |
| 5 | L | B | 0.6607 | |
| 6 | R | B | -1.4307 | |
| 7 | A | B | -0.8213 | |
| 8 | A | B | -0.8899 | |
| 9 | E | B | -1.6158 | |
| 10 | T | B | -1.3458 | |
| 11 | L | B | 0.0000 | |
| 12 | D | B | -2.2296 | |
| 13 | E | B | 0.0000 | |
| 14 | S | B | -1.0363 | |
| 15 | G | B | -0.5284 | |
| 16 | G | B | -0.8572 | |
| 17 | G | B | -0.6204 | |
| 18 | L | B | -0.1311 | |
| 19 | V | B | -0.2431 | |
| 20 | S | B | -0.6560 | |
| 21 | P | B | -1.2501 | |
| 22 | G | B | -1.1753 | |
| 23 | G | B | -0.8175 | |
| 24 | S | B | -0.7348 | |
| 25 | L | B | -0.2164 | |
| 26 | T | B | -0.1752 | |
| 27 | L | B | 0.0000 | |
| 28 | V | B | 0.0004 | |
| 29 | C | B | 0.0000 | |
| 30 | K | B | -1.6259 | |
| 31 | G | B | 0.0000 | |
| 32 | S | B | -0.9660 | |
| 33 | G | B | -1.0213 | |
| 34 | F | B | -0.6098 | |
| 35 | T | B | -0.3785 | |
| 36 | F | B | 0.0000 | |
| 37 | S | B | -0.9512 | |
| 38 | S | B | -0.3049 | |
| 39 | N | B | 0.0000 | |
| 40 | E | B | 0.0000 | |
| 41 | M | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | W | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | R | B | 0.0000 | |
| 46 | Q | B | -1.0615 | |
| 47 | A | B | -1.4798 | |
| 48 | P | B | -1.3860 | |
| 49 | G | B | -1.7155 | |
| 50 | K | B | -1.7460 | |
| 51 | G | B | -0.8580 | |
| 52 | L | B | 0.0000 | |
| 53 | E | B | -0.2624 | |
| 54 | W | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | G | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | T | B | -0.6213 | |
| 61 | G | B | -0.3667 | |
| 62 | G | B | -0.1428 | |
| 63 | Y | B | 1.0916 | |
| 64 | T | B | 0.5955 | |
| 65 | G | B | 0.0000 | |
| 66 | Y | B | -0.2822 | |
| 67 | A | B | 0.0000 | |
| 68 | P | B | -0.7781 | |
| 69 | A | B | -0.8586 | |
| 70 | V | B | 0.0000 | |
| 71 | K | B | -2.0348 | |
| 72 | G | B | -1.5272 | |
| 73 | R | B | -1.3239 | |
| 74 | F | B | 0.0000 | |
| 75 | T | B | -0.6635 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -0.3891 | |
| 78 | R | B | -1.3394 | |
| 79 | N | B | -2.2509 | |
| 80 | N | B | -2.0155 | |
| 81 | G | B | -1.7614 | |
| 82 | Q | B | -2.1680 | |
| 83 | S | B | -1.5998 | |
| 84 | T | B | -1.4757 | |
| 85 | L | B | 0.0000 | |
| 86 | T | B | -0.2475 | |
| 87 | L | B | 0.0000 | |
| 88 | Q | B | -0.4275 | |
| 89 | M | B | 0.0000 | |
| 90 | N | B | -1.1780 | |
| 91 | S | B | -1.1763 | |
| 92 | L | B | 0.0000 | |
| 93 | K | B | -2.1428 | |
| 94 | A | B | -1.4538 | |
| 95 | E | B | -2.2201 | |
| 96 | D | B | 0.0000 | |
| 97 | T | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | T | B | -1.0099 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | C | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | K | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | G | B | -0.1304 | |
| 108 | Y | B | 0.7848 | |
| 109 | A | B | -0.1331 | |
| 110 | N | B | -0.9799 | |
| 111 | C | B | 0.0000 | |
| 112 | A | B | 0.0918 | |
| 113 | G | B | 0.0000 | |
| 114 | Y | B | 0.7883 | |
| 115 | G | B | 0.0000 | |
| 116 | C | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | D | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | D | B | -0.4090 | |
| 122 | L | B | 0.0554 | |
| 123 | W | B | 0.0000 | |
| 124 | G | B | 0.0000 | |
| 125 | H | B | -1.3007 | |
| 126 | G | B | -1.3313 | |
| 127 | T | B | 0.0000 | |
| 128 | E | B | -1.9374 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | S | B | -0.5980 | |
| 133 | S | B | -0.5551 | |
| 134 | G | B | -0.4356 | |
| 135 | S | B | -0.4519 | |
| 136 | P | B | -0.4110 | |
| 137 | T | B | -0.3489 | |
| 138 | A | B | -0.6576 | |
| 139 | P | B | 0.0000 | |
| 140 | S | B | -0.1946 | |
| 141 | V | B | -0.0214 | |
| 142 | F | B | 0.0000 | |
| 143 | P | B | -0.7305 | |
| 144 | I | B | 0.0000 | |
| 145 | S | B | 0.0000 | |
| 146 | S | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | C | B | -0.4490 | |
| 149 | G | B | -0.8666 | |
| 150 | S | B | -0.6871 | |
| 151 | T | B | -0.8288 | |
| 152 | Q | B | -1.1751 | |
| 153 | Q | B | -1.7555 | |
| 154 | Q | B | -1.5394 | |
| 155 | P | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | G | B | 0.0000 | |
| 159 | C | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | T | B | -0.2260 | |
| 163 | G | B | -0.3293 | |
| 164 | Y | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | P | B | 0.0000 | |
| 167 | G | B | -0.7947 | |
| 168 | P | B | -0.8771 | |
| 169 | A | B | 0.0000 | |
| 170 | T | B | -0.6135 | |
| 171 | F | B | -0.1123 | |
| 172 | S | B | -0.2461 | |
| 173 | W | B | -0.3078 | |
| 174 | S | B | -0.5400 | |
| 175 | G | B | -0.7203 | |
| 176 | A | B | -0.5960 | |
| 177 | S | B | -0.5986 | |
| 178 | G | B | -0.9435 | |
| 179 | A | B | -0.8394 | |
| 180 | T | B | -0.4569 | |
| 181 | S | B | -0.1988 | |
| 182 | V | B | -0.0692 | |
| 183 | T | B | -0.1389 | |
| 184 | V | B | 0.0000 | |
| 185 | P | B | -0.5283 | |
| 186 | E | B | -0.8063 | |
| 187 | T | B | 0.0000 | |
| 188 | H | B | -1.3917 | |
| 189 | G | B | -0.5331 | |
| 190 | V | B | -0.0330 | |
| 191 | G | B | -0.3510 | |
| 192 | P | B | -0.4695 | |
| 193 | H | B | 0.0000 | |
| 194 | K | B | 0.0000 | |
| 195 | R | B | -0.4223 | |
| 196 | A | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | R | B | -0.7537 | |
| 201 | P | B | 0.0000 | |
| 202 | P | B | -1.3385 | |
| 203 | H | B | -1.5587 | |
| 204 | A | B | 0.0000 | |
| 205 | G | B | -0.7070 | |
| 206 | S | B | -0.4828 | |
| 207 | G | B | -0.8546 | |
| 208 | D | B | -0.7195 | |
| 209 | F | B | -0.1760 | |
| 210 | F | B | 0.0000 | |
| 211 | T | B | -0.6821 | |
| 212 | C | B | 0.0000 | |
| 213 | S | B | -0.3930 | |
| 214 | V | B | 0.0000 | |
| 215 | N | B | -1.5080 | |
| 216 | H | B | 0.0000 | |
| 217 | Q | B | -2.2167 | |
| 218 | A | B | -1.2940 | |
| 219 | T | B | -1.4899 | |
| 220 | R | B | -2.5212 | |
| 221 | T | B | -1.4359 | |
| 222 | S | B | -0.9592 | |
| 223 | L | B | 0.0893 | |
| 224 | T | B | -0.3553 | |
| 225 | Q | B | -0.6680 | |
| 226 | N | B | -1.3184 | |
| 227 | V | B | 0.0000 | |
| 228 | E | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | C | B | 0.2834 | |
| 231 | V | B | 0.2394 | |
| 232 | A | B | -0.9360 | |
| 233 | G | B | -1.2086 | |
| 234 | G | B | -1.8732 | |
| 235 | E | B | -2.5169 | |
| 236 | P | B | -1.4679 | |
| 237 | T | B | -1.2269 | |
| 238 | P | B | -1.1736 | |
| 239 | P | B | 0.0000 | |
| 240 | E | B | -2.1551 | |
| 241 | V | B | 0.0000 | |
| 242 | Q | B | -1.2821 | |
| 243 | V | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | H | B | 0.0000 | |
| 246 | S | B | -0.4780 | |
| 247 | S | B | -0.2306 | |
| 248 | V | B | -0.2624 | |
| 249 | C | B | 0.1547 | |
| 250 | S | B | 0.1715 | |
| 251 | T | B | 0.3346 | |
| 252 | L | B | 0.1827 | |
| 253 | G | B | -0.9805 | |
| 254 | D | B | -1.9795 | |
| 255 | D | B | -2.8002 | |
| 256 | S | B | -2.1860 | |
| 257 | V | B | 0.0000 | |
| 258 | E | B | -1.0193 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | I | B | 0.0000 | |
| 264 | T | B | -0.9504 | |
| 265 | G | B | -1.1412 | |
| 266 | F | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | P | B | -0.9525 | |
| 269 | P | B | 0.0000 | |
| 270 | P | B | -0.8746 | |
| 271 | V | B | -1.2056 | |
| 272 | E | B | -2.3990 | |
| 273 | V | B | -1.6747 | |
| 274 | E | B | -2.3130 | |
| 275 | W | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | V | B | -1.1798 | |
| 278 | D | B | -2.1743 | |
| 279 | G | B | -1.5313 | |
| 280 | A | B | -0.8563 | |
| 281 | P | B | -1.0769 | |
| 282 | A | B | -0.6834 | |
| 283 | H | B | -0.5598 | |
| 284 | L | B | 0.2987 | |
| 285 | V | B | 1.4612 | |
| 286 | A | B | 0.4251 | |
| 287 | T | B | 0.1056 | |
| 288 | M | B | 0.0968 | |
| 289 | T | B | -0.8880 | |
| 290 | R | B | -2.0627 | |
| 291 | P | B | 0.0000 | |
| 292 | Q | B | -1.7277 | |
| 293 | R | B | -2.1437 | |
| 294 | E | B | -1.6615 | |
| 295 | A | B | -1.1543 | |
| 296 | G | B | -1.0761 | |
| 297 | S | B | -1.4660 | |
| 298 | K | B | -2.4366 | |
| 299 | T | B | -1.7381 | |
| 300 | Y | B | 0.0000 | |
| 301 | M | B | -0.8920 | |
| 302 | A | B | 0.0000 | |
| 303 | T | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | Q | B | -0.4246 | |
| 306 | T | B | 0.0000 | |
| 307 | N | B | -1.2284 | |
| 308 | V | B | 0.0000 | |
| 309 | S | B | -2.0991 | |
| 310 | R | B | -2.5951 | |
| 311 | E | B | -3.0766 | |
| 312 | D | B | -2.3451 | |
| 313 | W | B | 0.0000 | |
| 314 | K | B | -1.9890 | |
| 315 | A | B | -1.6547 | |
| 316 | G | B | -1.6118 | |
| 317 | K | B | -2.0036 | |
| 318 | A | B | -1.5761 | |
| 319 | F | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | C | B | 0.0000 | |
| 322 | R | B | -2.5415 | |
| 323 | V | B | 0.0000 | |
| 324 | K | B | -2.2465 | |
| 325 | H | B | 0.0000 | |
| 326 | P | B | -0.9456 | |
| 327 | A | B | -1.0131 | |
| 328 | T | B | -0.7882 | |
| 329 | G | B | -0.8260 | |
| 330 | G | B | -0.7305 | |
| 331 | T | B | -1.4689 | |
| 332 | A | B | -1.5289 | |
| 333 | Q | B | -2.2409 | |
| 334 | G | B | 0.0000 | |
| 335 | H | B | -1.5170 | |
| 336 | A | B | 0.0000 | |
| 337 | R | B | -1.6146 | |
| 338 | F | B | 0.0000 | |
| 339 | C | B | -0.4203 | |
| 340 | P | B | -0.6969 | |
| 341 | E | B | -0.8608 | |
| 342 | F | B | 0.7912 | |
| 1 | M | C | 1.3978 | |
| 2 | A | C | 1.1233 | |
| 3 | W | C | 1.6647 | |
| 4 | A | C | 1.2826 | |
| 5 | P | C | 1.5201 | |
| 6 | L | C | 2.8242 | |
| 7 | L | C | 3.2488 | |
| 8 | L | C | 3.5137 | |
| 9 | A | C | 2.8170 | |
| 10 | V | C | 3.1173 | |
| 11 | L | C | 2.3745 | |
| 12 | A | C | 0.8406 | |
| 13 | H | C | -0.4003 | |
| 14 | T | C | -0.6068 | |
| 15 | S | C | -0.5863 | |
| 16 | G | C | -0.3792 | |
| 17 | S | C | 0.3716 | |
| 18 | L | C | 1.5460 | |
| 19 | V | C | 1.5315 | |
| 20 | Q | C | 0.1695 | |
| 21 | A | C | 0.1132 | |
| 22 | A | C | -0.1850 | |
| 23 | L | C | 0.0000 | |
| 24 | T | C | -0.4063 | |
| 25 | Q | C | -0.2949 | |
| 26 | P | C | -0.3136 | |
| 27 | A | C | -0.1768 | |
| 28 | S | C | -0.4780 | |
| 29 | K | C | -0.8573 | |
| 30 | S | C | -0.6394 | |
| 31 | V | C | 0.0000 | |
| 32 | N | C | -1.7932 | |
| 33 | P | C | -1.7685 | |
| 34 | G | C | -1.7373 | |
| 35 | D | C | -2.0250 | |
| 36 | T | C | -1.4190 | |
| 37 | V | C | 0.0000 | |
| 38 | Q | C | -1.3163 | |
| 39 | I | C | 0.0000 | |
| 40 | T | C | -0.5171 | |
| 41 | C | C | 0.0000 | |
| 42 | S | C | -0.5679 | |
| 43 | G | C | -0.6524 | |
| 44 | S | C | 0.0000 | |
| 45 | S | C | -0.8256 | |
| 46 | S | C | -0.6970 | |
| 47 | D | C | -1.0653 | |
| 48 | Y | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | W | C | 0.0000 | |
| 51 | F | C | 0.0000 | |
| 52 | Q | C | 0.0000 | |
| 53 | Q | C | 0.0000 | |
| 54 | K | C | -1.2875 | |
| 55 | T | C | -0.9151 | |
| 56 | P | C | -1.0253 | |
| 57 | G | C | -1.1607 | |
| 58 | S | C | -0.6728 | |
| 59 | A | C | -0.4014 | |
| 60 | P | C | 0.0000 | |
| 61 | V | C | 0.8779 | |
| 62 | T | C | 0.0000 | |
| 63 | V | C | 0.0000 | |
| 64 | I | C | 0.0000 | |
| 65 | Y | C | -1.0278 | |
| 66 | Q | C | -1.2554 | |
| 67 | N | C | -1.6186 | |
| 68 | N | C | -2.3298 | |
| 69 | K | C | -2.1857 | |
| 70 | R | C | -1.9607 | |
| 71 | P | C | -0.9203 | |
| 72 | S | C | -0.7932 | |
| 73 | G | C | -0.6598 | |
| 74 | I | C | -0.3407 | |
| 75 | P | C | -0.5398 | |
| 76 | S | C | -0.6812 | |
| 77 | R | C | -0.7121 | |
| 78 | F | C | 0.0000 | |
| 79 | S | C | -1.1719 | |
| 80 | G | C | 0.0000 | |
| 81 | S | C | -1.2417 | |
| 82 | K | C | -1.3458 | |
| 83 | S | C | -0.8505 | |
| 84 | G | C | -0.8418 | |
| 85 | S | C | -0.8520 | |
| 86 | T | C | -0.7558 | |
| 87 | A | C | 0.0000 | |
| 88 | T | C | -0.8154 | |
| 89 | L | C | 0.0000 | |
| 90 | T | C | -0.7121 | |
| 91 | I | C | 0.0000 | |
| 92 | T | C | -1.0460 | |
| 93 | G | C | -1.3871 | |
| 94 | V | C | 0.0000 | |
| 95 | Q | C | -1.8898 | |
| 96 | A | C | -1.4675 | |
| 97 | E | C | -2.2375 | |
| 98 | D | C | 0.0000 | |
| 99 | E | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | V | C | -0.0104 | |
| 102 | Y | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | C | C | 0.0000 | |
| 105 | G | C | 0.0000 | |
| 106 | S | C | 0.0000 | |
| 107 | Y | C | 0.1198 | |
| 108 | D | C | -0.3610 | |
| 109 | S | C | -0.2778 | |
| 110 | S | C | 0.0800 | |
| 111 | Y | C | 0.8460 | |
| 112 | V | C | 0.6042 | |
| 113 | G | C | 0.0000 | |
| 114 | V | C | 0.0561 | |
| 115 | F | C | 0.0000 | |
| 116 | G | C | 0.0000 | |
| 117 | A | C | -0.2411 | |
| 118 | G | C | 0.0000 | |
| 119 | T | C | 0.0000 | |
| 120 | T | C | -0.2297 | |
| 121 | L | C | 0.0000 | |
| 122 | T | C | -0.2794 | |
| 123 | V | C | 0.0000 | |
| 124 | L | C | -0.4723 | |
| 125 | G | C | -0.8474 | |
| 126 | Q | C | -1.0981 | |
| 127 | P | C | -0.9280 | |
| 128 | K | C | -1.9224 | |
| 129 | V | C | -0.9834 | |
| 130 | S | C | -0.6659 | |
| 131 | P | C | 0.0000 | |
| 132 | T | C | -0.1947 | |
| 133 | V | C | -0.4438 | |
| 134 | H | C | 0.0000 | |
| 135 | V | C | 0.0000 | |
| 136 | F | C | 0.0000 | |
| 137 | P | C | 0.0000 | |
| 138 | P | C | 0.0000 | |
| 139 | S | C | -1.3671 | |
| 140 | D | C | -3.0368 | |
| 141 | E | C | -2.6947 | |
| 142 | E | C | 0.0000 | |
| 143 | I | C | -2.1327 | |
| 144 | S | C | -1.9345 | |
| 145 | S | C | -1.8493 | |
| 146 | Q | C | -2.3619 | |
| 147 | N | C | -2.6286 | |
| 148 | K | C | -2.4449 | |
| 149 | A | C | 0.0000 | |
| 150 | T | C | 0.0000 | |
| 151 | L | C | 0.0000 | |
| 152 | V | C | 0.0000 | |
| 153 | C | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | M | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | D | C | -0.5751 | |
| 158 | F | C | 0.0000 | |
| 159 | Y | C | 0.0000 | |
| 160 | P | C | -0.8701 | |
| 161 | S | C | -0.7427 | |
| 162 | P | C | -0.5461 | |
| 163 | V | C | -0.3926 | |
| 164 | T | C | -0.2713 | |
| 165 | V | C | -0.0094 | |
| 166 | T | C | -0.3777 | |
| 167 | W | C | 0.0000 | |
| 168 | K | C | -1.1843 | |
| 169 | V | C | -1.2684 | |
| 170 | N | C | -2.0481 | |
| 171 | G | C | -1.4178 | |
| 172 | S | C | -1.0368 | |
| 173 | T | C | -0.8718 | |
| 174 | R | C | -0.9145 | |
| 175 | S | C | -0.6445 | |
| 176 | S | C | -0.5389 | |
| 177 | G | C | -0.4665 | |
| 178 | V | C | -0.1886 | |
| 179 | E | C | -0.6643 | |
| 180 | T | C | -0.3739 | |
| 181 | S | C | 0.0000 | |
| 182 | A | C | -0.4688 | |
| 183 | S | C | -0.4504 | |
| 184 | Q | C | -0.7347 | |
| 185 | R | C | -1.1926 | |
| 186 | Q | C | -1.0735 | |
| 187 | S | C | -0.9741 | |
| 188 | N | C | -1.3606 | |
| 189 | S | C | -1.3109 | |
| 190 | K | C | -1.2119 | |
| 191 | Y | C | 0.0000 | |
| 192 | M | C | 0.0000 | |
| 193 | A | C | 0.0000 | |
| 194 | S | C | 0.0000 | |
| 195 | S | C | 0.0000 | |
| 196 | Y | C | 0.0000 | |
| 197 | L | C | 0.0000 | |
| 198 | T | C | -0.4691 | |
| 199 | L | C | 0.0000 | |
| 200 | S | C | -1.5626 | |
| 201 | A | C | 0.0000 | |
| 202 | S | C | -1.6702 | |
| 203 | E | C | -1.7051 | |
| 204 | W | C | 0.0000 | |
| 205 | K | C | -2.5077 | |
| 206 | G | C | -2.1061 | |
| 207 | A | C | 0.0000 | |
| 208 | N | C | -2.3316 | |
| 209 | S | C | -1.6019 | |
| 210 | V | C | 0.0000 | |
| 211 | V | C | -1.0136 | |
| 212 | C | C | 0.0000 | |
| 213 | Q | C | -1.0199 | |
| 214 | V | C | 0.0000 | |
| 215 | T | C | -0.8773 | |
| 216 | H | C | 0.0000 | |
| 217 | D | C | -2.3236 | |
| 218 | G | C | -1.3696 | |
| 219 | T | C | -0.8830 | |
| 220 | P | C | -0.9421 | |
| 221 | I | C | -0.7999 | |
| 222 | E | C | -1.9673 | |
| 223 | K | C | -1.3313 | |
| 224 | T | C | -0.8618 | |
| 225 | L | C | 0.0000 | |
| 226 | N | C | -1.4534 | |
| 227 | K | C | -1.6644 | |
| 228 | S | C | -1.2318 | |
| 229 | E | C | -1.3655 | |
| 230 | C | C | -0.9459 | |
| 1 | M | D | 1.4016 | |
| 2 | A | D | 1.1251 | |
| 3 | W | D | 1.6728 | |
| 4 | A | D | 1.2938 | |
| 5 | P | D | 1.5358 | |
| 6 | L | D | 2.8350 | |
| 7 | L | D | 3.2566 | |
| 8 | L | D | 3.5303 | |
| 9 | A | D | 2.8312 | |
| 10 | V | D | 3.1267 | |
| 11 | L | D | 2.3794 | |
| 12 | A | D | 0.8434 | |
| 13 | H | D | -0.3969 | |
| 14 | T | D | -0.6090 | |
| 15 | S | D | -0.5831 | |
| 16 | G | D | -0.3860 | |
| 17 | S | D | 0.3749 | |
| 18 | L | D | 1.5323 | |
| 19 | V | D | 1.5337 | |
| 20 | Q | D | 0.1801 | |
| 21 | A | D | 0.1361 | |
| 22 | A | D | -0.1668 | |
| 23 | L | D | 0.0000 | |
| 24 | T | D | -0.4007 | |
| 25 | Q | D | -0.2883 | |
| 26 | P | D | -0.3122 | |
| 27 | A | D | -0.1786 | |
| 28 | S | D | -0.4887 | |
| 29 | K | D | -0.9032 | |
| 30 | S | D | -0.6665 | |
| 31 | V | D | 0.0000 | |
| 32 | N | D | -1.7914 | |
| 33 | P | D | -1.7885 | |
| 34 | G | D | -1.7736 | |
| 35 | D | D | -2.0689 | |
| 36 | T | D | -1.4314 | |
| 37 | V | D | 0.0000 | |
| 38 | Q | D | -1.3388 | |
| 39 | I | D | 0.0000 | |
| 40 | T | D | -0.5188 | |
| 41 | C | D | 0.0000 | |
| 42 | S | D | -0.5556 | |
| 43 | G | D | -0.6468 | |
| 44 | S | D | 0.0000 | |
| 45 | S | D | -0.8102 | |
| 46 | S | D | -0.6917 | |
| 47 | D | D | -1.0354 | |
| 48 | Y | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | W | D | 0.0000 | |
| 51 | F | D | 0.0000 | |
| 52 | Q | D | 0.0000 | |
| 53 | Q | D | 0.0000 | |
| 54 | K | D | -1.1382 | |
| 55 | T | D | -0.8411 | |
| 56 | P | D | -0.9833 | |
| 57 | G | D | -1.1481 | |
| 58 | S | D | -0.6362 | |
| 59 | A | D | -0.3817 | |
| 60 | P | D | 0.0000 | |
| 61 | V | D | 0.8760 | |
| 62 | T | D | 0.0000 | |
| 63 | V | D | 0.0000 | |
| 64 | I | D | 0.0000 | |
| 65 | Y | D | -1.0687 | |
| 66 | Q | D | -1.2904 | |
| 67 | N | D | -1.6450 | |
| 68 | N | D | -2.3989 | |
| 69 | K | D | -2.3193 | |
| 70 | R | D | -2.0159 | |
| 71 | P | D | -0.9524 | |
| 72 | S | D | -0.8081 | |
| 73 | G | D | -0.6550 | |
| 74 | I | D | -0.3173 | |
| 75 | P | D | -0.4982 | |
| 76 | S | D | -0.6460 | |
| 77 | R | D | -0.6138 | |
| 78 | F | D | 0.0000 | |
| 79 | S | D | -1.1888 | |
| 80 | G | D | -1.4598 | |
| 81 | S | D | -1.2603 | |
| 82 | K | D | -1.3053 | |
| 83 | S | D | -0.8231 | |
| 84 | G | D | -0.8175 | |
| 85 | S | D | -0.8136 | |
| 86 | T | D | -0.7297 | |
| 87 | A | D | 0.0000 | |
| 88 | T | D | -0.8232 | |
| 89 | L | D | 0.0000 | |
| 90 | T | D | -0.7116 | |
| 91 | I | D | 0.0000 | |
| 92 | T | D | -1.0290 | |
| 93 | G | D | -1.4191 | |
| 94 | V | D | 0.0000 | |
| 95 | Q | D | -1.9797 | |
| 96 | A | D | -1.4914 | |
| 97 | E | D | -2.1649 | |
| 98 | D | D | 0.0000 | |
| 99 | E | D | -1.0242 | |
| 100 | A | D | 0.0000 | |
| 101 | V | D | -0.0034 | |
| 102 | Y | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | C | D | 0.0000 | |
| 105 | G | D | 0.0000 | |
| 106 | S | D | 0.0000 | |
| 107 | Y | D | 0.0932 | |
| 108 | D | D | -0.4002 | |
| 109 | S | D | -0.3072 | |
| 110 | S | D | 0.0416 | |
| 111 | Y | D | 0.7736 | |
| 112 | V | D | 0.5977 | |
| 113 | G | D | 0.0000 | |
| 114 | V | D | 0.0626 | |
| 115 | F | D | 0.0000 | |
| 116 | G | D | 0.0000 | |
| 117 | A | D | -0.2320 | |
| 118 | G | D | 0.0000 | |
| 119 | T | D | 0.0000 | |
| 120 | T | D | -0.2476 | |
| 121 | L | D | 0.0000 | |
| 122 | T | D | -0.3282 | |
| 123 | V | D | 0.0000 | |
| 124 | L | D | -0.4672 | |
| 125 | G | D | -0.9891 | |
| 126 | Q | D | -1.0711 | |
| 127 | P | D | -0.9818 | |
| 128 | K | D | -1.8908 | |
| 129 | V | D | -0.8674 | |
| 130 | S | D | -0.6900 | |
| 131 | P | D | 0.0000 | |
| 132 | T | D | -0.4151 | |
| 133 | V | D | 0.0000 | |
| 134 | H | D | -0.7796 | |
| 135 | V | D | 0.0000 | |
| 136 | F | D | 0.0000 | |
| 137 | P | D | -0.3656 | |
| 138 | P | D | 0.0000 | |
| 139 | S | D | -1.3423 | |
| 140 | D | D | -2.9763 | |
| 141 | E | D | -2.5814 | |
| 142 | E | D | 0.0000 | |
| 143 | I | D | -2.0961 | |
| 144 | S | D | -1.8858 | |
| 145 | S | D | -1.7863 | |
| 146 | Q | D | -2.2729 | |
| 147 | N | D | -2.5899 | |
| 148 | K | D | -2.4331 | |
| 149 | A | D | 0.0000 | |
| 150 | T | D | 0.0000 | |
| 151 | L | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | C | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | M | D | 0.0000 | |
| 156 | S | D | 0.0000 | |
| 157 | D | D | -0.5353 | |
| 158 | F | D | 0.0000 | |
| 159 | Y | D | 0.0000 | |
| 160 | P | D | -0.8493 | |
| 161 | S | D | -0.7327 | |
| 162 | P | D | -0.5373 | |
| 163 | V | D | -0.3869 | |
| 164 | T | D | -0.2718 | |
| 165 | V | D | -0.0246 | |
| 166 | T | D | -0.4207 | |
| 167 | W | D | 0.0000 | |
| 168 | K | D | -1.3651 | |
| 169 | V | D | -1.3456 | |
| 170 | N | D | -2.0864 | |
| 171 | G | D | -1.4675 | |
| 172 | S | D | -1.1044 | |
| 173 | T | D | -0.9662 | |
| 174 | R | D | -1.0092 | |
| 175 | S | D | -0.6982 | |
| 176 | S | D | -0.5552 | |
| 177 | G | D | -0.4796 | |
| 178 | V | D | -0.2176 | |
| 179 | E | D | -0.6815 | |
| 180 | T | D | -0.3742 | |
| 181 | S | D | 0.0000 | |
| 182 | A | D | -0.4649 | |
| 183 | S | D | -0.4283 | |
| 184 | Q | D | -0.6980 | |
| 185 | R | D | -1.1017 | |
| 186 | Q | D | 0.0000 | |
| 187 | S | D | -0.8391 | |
| 188 | N | D | -1.1169 | |
| 189 | S | D | -1.0175 | |
| 190 | K | D | -1.1278 | |
| 191 | Y | D | 0.0000 | |
| 192 | M | D | 0.0000 | |
| 193 | A | D | 0.0000 | |
| 194 | S | D | 0.0000 | |
| 195 | S | D | 0.0000 | |
| 196 | Y | D | 0.0000 | |
| 197 | L | D | 0.0000 | |
| 198 | T | D | -0.4813 | |
| 199 | L | D | 0.0000 | |
| 200 | S | D | -1.5686 | |
| 201 | A | D | -1.9928 | |
| 202 | S | D | -1.6793 | |
| 203 | E | D | -1.7197 | |
| 204 | W | D | 0.0000 | |
| 205 | K | D | -2.5122 | |
| 206 | G | D | -2.1107 | |
| 207 | A | D | 0.0000 | |
| 208 | N | D | -2.3446 | |
| 209 | S | D | -1.6546 | |
| 210 | V | D | 0.0000 | |
| 211 | V | D | -1.1721 | |
| 212 | C | D | 0.0000 | |
| 213 | Q | D | -1.2070 | |
| 214 | V | D | 0.0000 | |
| 215 | T | D | -0.9000 | |
| 216 | H | D | 0.0000 | |
| 217 | D | D | -2.3181 | |
| 218 | G | D | -1.3792 | |
| 219 | T | D | -0.9013 | |
| 220 | P | D | -0.9815 | |
| 221 | I | D | -1.0183 | |
| 222 | E | D | -2.2870 | |
| 223 | K | D | -1.8903 | |
| 224 | T | D | -1.1620 | |
| 225 | L | D | 0.0000 | |
| 226 | N | D | -1.6004 | |
| 227 | K | D | -1.7661 | |
| 228 | S | D | -1.3460 | |
| 229 | E | D | -1.4359 | |
| 230 | C | D | -1.0952 |
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 | -0.3667 | 5.2596 | View | CSV | PDB |
| 4.5 | -0.4008 | 5.2596 | View | CSV | PDB |
| 5.0 | -0.4428 | 5.2596 | View | CSV | PDB |
| 5.5 | -0.4842 | 5.2596 | View | CSV | PDB |
| 6.0 | -0.5164 | 5.2596 | View | CSV | PDB |
| 6.5 | -0.5329 | 5.2596 | View | CSV | PDB |
| 7.0 | -0.5336 | 5.2596 | View | CSV | PDB |
| 7.5 | -0.5248 | 5.2596 | View | CSV | PDB |
| 8.0 | -0.5115 | 5.2596 | View | CSV | PDB |
| 8.5 | -0.4952 | 5.2596 | View | CSV | PDB |
| 9.0 | -0.4751 | 5.2596 | 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