| Chain sequence(s) |
A: QVQLQESGPGLVKSSETLSLTCTVSGGSMGGYYWSWLRQSPVKGLEWIGYIFHTGHTNYNPSLESRVTVSVDTSENQFSLRLRSVTAADTAVYYCASLPRGQLVNAFFDNWGQGTLVTVASASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
C: QVQLQESGPGLVKSSETLSLTCTVSGGSMGGYYWSWLRQSPVKGLEWIGYIFHTGHTNYNPSLESRVTVSVDTSENQFSLRLRSVTAADTAVYYCASLPRGQLVNAFFDNWGQGTLVTVASASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS B: YELTQPPSVSVSPGQTASITCSGDKLGDKYACWYQQKPGQSPVLVIYQDSKRPSGIPERFSGSNSGNTATLTISGTQAMDEADYYCQAWDSFSTFVFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS D: YELTQPPSVSVSPGQTASITCSGDKLGDKYACWYQQKPGQSPVLVIYQDSKRPSGIPERFSGSNSGNTATLTISGTQAMDEADYYCQAWDSFSTFVFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2816900b9c4af6f/tmp/folded.pdb (00:14:48)
[INFO] Main: Simulation completed successfully. (00:21:41)
|
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 | Q | A | -1.5813 | |
| 2 | V | A | -1.3232 | |
| 3 | Q | A | -2.0690 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9566 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.8290 | |
| 8 | G | A | -0.7225 | |
| 9 | P | A | -0.0609 | |
| 10 | G | A | 0.2097 | |
| 11 | L | A | 0.6139 | |
| 12 | V | A | -0.6888 | |
| 13 | K | A | -2.0154 | |
| 14 | S | A | -1.4119 | |
| 15 | S | A | -1.7213 | |
| 16 | E | A | -2.4408 | |
| 17 | T | A | -2.1644 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -1.1461 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.7113 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.3148 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.4939 | |
| 26 | G | A | -1.2821 | |
| 27 | G | A | -1.1093 | |
| 28 | S | A | -0.5054 | |
| 29 | M | A | 0.0000 | |
| 30 | G | A | -0.6103 | |
| 31 | G | A | -0.0155 | |
| 32 | Y | A | 0.4937 | |
| 33 | Y | A | 0.0861 | |
| 34 | W | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.1192 | |
| 40 | S | A | -0.0035 | |
| 41 | P | A | 0.1320 | |
| 42 | V | A | 1.0248 | |
| 43 | K | A | -0.5081 | |
| 44 | G | A | -0.4515 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5188 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | Y | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | F | A | -0.2659 | |
| 53 | H | A | -0.8824 | |
| 54 | T | A | -0.9293 | |
| 55 | G | A | -1.0568 | |
| 56 | H | A | -1.2944 | |
| 57 | T | A | -0.7398 | |
| 58 | N | A | -0.7626 | |
| 59 | Y | A | -0.6189 | |
| 60 | N | A | -0.4543 | |
| 61 | P | A | -0.5147 | |
| 62 | S | A | -0.7682 | |
| 63 | L | A | 0.0000 | |
| 64 | E | A | -1.9583 | |
| 65 | S | A | -1.4280 | |
| 66 | R | A | -2.0174 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -1.3776 | |
| 69 | V | A | 0.0000 | |
| 70 | S | A | -0.7106 | |
| 71 | V | A | -0.9720 | |
| 72 | D | A | -1.8957 | |
| 73 | T | A | -1.7112 | |
| 74 | S | A | -1.6018 | |
| 75 | E | A | -2.5117 | |
| 76 | N | A | -1.8699 | |
| 77 | Q | A | -1.6284 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.6714 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -2.1591 | |
| 82 | L | A | 0.0000 | |
| 82A | R | A | -3.0239 | |
| 82B | S | A | -2.0449 | |
| 82C | V | A | 0.0000 | |
| 83 | T | A | -0.8150 | |
| 84 | A | A | -0.2146 | |
| 85 | A | A | 0.1290 | |
| 86 | D | A | 0.0000 | |
| 87 | T | A | 0.2276 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | 0.6166 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | P | A | -0.8993 | |
| 97 | R | A | -1.3785 | |
| 98 | G | A | -0.5384 | |
| 99 | Q | A | -0.4904 | |
| 100 | L | A | 1.4502 | |
| 100A | V | A | 1.7260 | |
| 100B | N | A | 0.3198 | |
| 100C | A | A | -0.1629 | |
| 100D | F | A | -0.2341 | |
| 100E | F | A | 0.0000 | |
| 101 | D | A | -0.5956 | |
| 102 | N | A | -0.9513 | |
| 103 | W | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | Q | A | -1.8226 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | L | A | 0.8322 | |
| 109 | V | A | 0.0000 | |
| 110 | T | A | 0.2589 | |
| 111 | V | A | 0.0000 | |
| 112 | A | A | -0.6362 | |
| 113 | S | A | -1.0343 | |
| 114 | A | A | -0.5026 | |
| 115 | S | A | -0.6827 | |
| 116 | T | A | -0.7593 | |
| 117 | K | A | -1.3865 | |
| 118 | G | A | -1.3862 | |
| 119 | P | A | -0.6294 | |
| 120 | S | A | -0.1589 | |
| 121 | V | A | 0.0000 | |
| 122 | F | A | -0.4216 | |
| 123 | P | A | -1.0896 | |
| 124 | L | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -1.4302 | |
| 128 | S | A | -1.3706 | |
| 129 | K | A | -1.9972 | |
| 130 | S | A | -1.3705 | |
| 131 | T | A | -1.0814 | |
| 132 | S | A | -0.8876 | |
| 133 | G | A | -0.8638 | |
| 134 | G | A | -0.9041 | |
| 135 | T | A | -0.5850 | |
| 136 | A | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | C | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | K | A | 0.0000 | |
| 144 | D | A | -0.3025 | |
| 145 | Y | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | P | A | -0.5480 | |
| 148 | E | A | -0.9150 | |
| 149 | P | A | -0.8911 | |
| 150 | V | A | -0.6836 | |
| 151 | T | A | -0.5165 | |
| 152 | V | A | -0.0523 | |
| 153 | S | A | -0.2681 | |
| 154 | W | A | 0.0000 | |
| 155 | N | A | -0.6589 | |
| 156 | S | A | -0.5591 | |
| 157 | G | A | -0.5656 | |
| 158 | A | A | -0.2423 | |
| 159 | L | A | -0.0151 | |
| 160 | T | A | -0.1985 | |
| 161 | S | A | -0.2237 | |
| 162 | G | A | -0.3366 | |
| 163 | V | A | 0.0696 | |
| 164 | H | A | 0.0000 | |
| 165 | T | A | 0.0405 | |
| 166 | F | A | 0.0000 | |
| 167 | P | A | -0.0417 | |
| 168 | A | A | 0.3067 | |
| 169 | V | A | 1.0886 | |
| 170 | L | A | 1.4896 | |
| 171 | Q | A | 0.4517 | |
| 172 | S | A | -0.0300 | |
| 173 | S | A | -0.1753 | |
| 174 | G | A | 0.1046 | |
| 175 | L | A | 0.2173 | |
| 176 | Y | A | 0.6481 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.1739 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.4597 | |
| 186 | S | A | -0.5930 | |
| 187 | S | A | -0.4916 | |
| 188 | S | A | -0.6125 | |
| 189 | L | A | -0.7321 | |
| 190 | G | A | -0.9932 | |
| 191 | T | A | -0.8099 | |
| 192 | Q | A | -1.4494 | |
| 193 | T | A | -1.2628 | |
| 194 | Y | A | 0.0000 | |
| 195 | I | A | -1.1629 | |
| 196 | C | A | 0.0000 | |
| 197 | N | A | -1.1022 | |
| 198 | V | A | 0.0000 | |
| 199 | N | A | -1.5774 | |
| 200 | H | A | 0.0000 | |
| 201 | K | A | -2.7846 | |
| 202 | P | A | -1.7415 | |
| 203 | S | A | -1.9599 | |
| 204 | N | A | -2.6084 | |
| 205 | T | A | -2.0761 | |
| 206 | K | A | -2.3835 | |
| 207 | V | A | -0.9701 | |
| 208 | D | A | -1.6036 | |
| 209 | K | A | -1.6671 | |
| 210 | R | A | -2.6137 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -3.0773 | |
| 213 | P | A | -2.1025 | |
| 214 | K | A | -2.5122 | |
| 215 | S | A | -1.9346 | |
| 216 | C | A | -1.3358 | |
| 217 | D | A | -2.9455 | |
| 218 | K | A | -3.0847 | |
| 219 | T | A | -2.1843 | |
| 220 | H | A | -2.4504 | |
| 221 | T | A | -1.4844 | |
| 222 | C | A | -0.1256 | |
| 223 | P | A | -0.3265 | |
| 224 | P | A | -0.0708 | |
| 225 | C | A | 0.2210 | |
| 226 | P | A | -0.3026 | |
| 227 | A | A | -1.0157 | |
| 228 | P | A | -1.3238 | |
| 229 | E | A | -1.5247 | |
| 230 | L | A | 0.9076 | |
| 231 | L | A | 1.0545 | |
| 232 | G | A | 0.0716 | |
| 233 | G | A | -0.3194 | |
| 234 | P | A | 0.0000 | |
| 235 | S | A | 0.0250 | |
| 236 | V | A | 0.0000 | |
| 237 | F | A | 1.2656 | |
| 238 | L | A | 1.0394 | |
| 239 | F | A | 1.2972 | |
| 240 | P | A | -0.0254 | |
| 241 | P | A | 0.0000 | |
| 242 | K | A | -2.1763 | |
| 243 | P | A | -1.3389 | |
| 244 | K | A | -0.9825 | |
| 245 | D | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | -0.2732 | |
| 248 | M | A | 0.4916 | |
| 249 | I | A | 1.3686 | |
| 250 | S | A | -0.0743 | |
| 251 | R | A | -1.5496 | |
| 252 | T | A | -0.7416 | |
| 253 | P | A | 0.0000 | |
| 254 | E | A | -1.0007 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | 0.5695 | |
| 257 | C | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | -0.7908 | |
| 261 | D | A | -1.4390 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | -1.8236 | |
| 264 | H | A | -2.0618 | |
| 265 | E | A | -2.8366 | |
| 266 | D | A | -2.3611 | |
| 267 | P | A | -2.3610 | |
| 268 | E | A | -2.9550 | |
| 269 | V | A | -1.8860 | |
| 270 | K | A | -2.1334 | |
| 271 | F | A | -1.2042 | |
| 272 | N | A | -1.3502 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | -1.1176 | |
| 275 | V | A | -0.8795 | |
| 276 | D | A | -1.9263 | |
| 277 | G | A | -0.8336 | |
| 278 | V | A | 0.4064 | |
| 279 | E | A | -1.4124 | |
| 280 | V | A | -0.9018 | |
| 281 | H | A | -2.0578 | |
| 282 | N | A | -2.1946 | |
| 283 | A | A | -1.6666 | |
| 284 | K | A | -2.5036 | |
| 285 | T | A | -2.1358 | |
| 286 | K | A | -2.9881 | |
| 287 | P | A | -2.7596 | |
| 288 | R | A | -4.2563 | |
| 289 | E | A | -4.4230 | |
| 290 | E | A | -3.5988 | |
| 291 | Q | A | -2.1889 | |
| 292 | Y | A | 0.1348 | |
| 293 | N | A | -0.8998 | |
| 294 | S | A | -1.0598 | |
| 295 | T | A | -1.7539 | |
| 296 | Y | A | 0.0000 | |
| 297 | R | A | -3.2808 | |
| 298 | V | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | V | A | -0.7812 | |
| 302 | L | A | 0.0000 | |
| 303 | T | A | -0.5736 | |
| 304 | V | A | 0.0000 | |
| 305 | L | A | 0.1755 | |
| 306 | H | A | -0.4972 | |
| 307 | Q | A | -1.6077 | |
| 308 | D | A | -1.7268 | |
| 309 | W | A | 0.0000 | |
| 310 | L | A | -1.2728 | |
| 311 | N | A | -2.1739 | |
| 312 | G | A | -2.0135 | |
| 313 | K | A | -1.9721 | |
| 314 | E | A | -2.0648 | |
| 315 | Y | A | 0.0000 | |
| 316 | K | A | -1.4953 | |
| 317 | C | A | 0.0000 | |
| 318 | K | A | -1.5317 | |
| 319 | V | A | 0.0000 | |
| 320 | S | A | -1.3198 | |
| 321 | N | A | 0.0000 | |
| 322 | K | A | -2.4138 | |
| 323 | A | A | -1.5144 | |
| 324 | L | A | 0.0000 | |
| 325 | P | A | -0.5821 | |
| 326 | A | A | -0.3848 | |
| 327 | P | A | -0.6546 | |
| 328 | I | A | -0.4624 | |
| 329 | E | A | -1.5875 | |
| 330 | K | A | -1.0643 | |
| 331 | T | A | -0.8657 | |
| 332 | I | A | -0.1476 | |
| 333 | S | A | -1.0468 | |
| 334 | K | A | -1.3303 | |
| 335 | A | A | -1.0607 | |
| 336 | K | A | -2.2824 | |
| 337 | G | A | -1.8490 | |
| 338 | Q | A | -1.8528 | |
| 339 | P | A | -1.7710 | |
| 340 | R | A | -1.9099 | |
| 341 | E | A | -2.4746 | |
| 342 | P | A | 0.0000 | |
| 343 | Q | A | -1.3559 | |
| 344 | V | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | P | A | -0.4253 | |
| 349 | P | A | -0.9547 | |
| 350 | S | A | -1.5610 | |
| 351 | R | A | -2.7285 | |
| 352 | E | A | -2.8821 | |
| 353 | E | A | 0.0000 | |
| 354 | M | A | -1.9718 | |
| 355 | T | A | -1.7284 | |
| 356 | K | A | -2.4088 | |
| 357 | N | A | -2.7613 | |
| 358 | Q | A | -2.7675 | |
| 359 | V | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | T | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | K | A | -0.5542 | |
| 367 | G | A | -1.0040 | |
| 368 | F | A | 0.0000 | |
| 369 | Y | A | -0.9292 | |
| 370 | P | A | 0.0000 | |
| 371 | S | A | -0.3540 | |
| 372 | D | A | -1.2253 | |
| 373 | I | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | -0.3136 | |
| 376 | E | A | -1.0130 | |
| 377 | W | A | 0.0000 | |
| 378 | E | A | -1.5871 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | -1.8218 | |
| 381 | G | A | -1.8657 | |
| 382 | Q | A | -2.3023 | |
| 383 | P | A | -1.9370 | |
| 384 | E | A | -1.8311 | |
| 385 | N | A | -2.0551 | |
| 386 | N | A | -1.4721 | |
| 387 | Y | A | -0.9965 | |
| 388 | K | A | -0.9670 | |
| 389 | T | A | -0.3529 | |
| 390 | T | A | 0.0000 | |
| 391 | P | A | -0.1801 | |
| 392 | P | A | 0.0151 | |
| 393 | V | A | 0.0000 | |
| 394 | L | A | 0.6585 | |
| 395 | D | A | -0.6164 | |
| 396 | S | A | -1.2132 | |
| 397 | D | A | -1.8180 | |
| 398 | G | A | -0.7873 | |
| 399 | S | A | 0.0000 | |
| 400 | F | A | 0.1690 | |
| 401 | F | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | K | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | T | A | -1.0668 | |
| 408 | V | A | 0.0000 | |
| 409 | D | A | -2.9528 | |
| 410 | K | A | -2.7360 | |
| 411 | S | A | -2.2169 | |
| 412 | R | A | -2.0209 | |
| 413 | W | A | 0.0000 | |
| 414 | Q | A | -2.4655 | |
| 415 | Q | A | -2.3283 | |
| 416 | G | A | -1.4701 | |
| 417 | N | A | -0.7199 | |
| 418 | V | A | 0.6434 | |
| 419 | F | A | 0.0000 | |
| 420 | S | A | -0.6650 | |
| 421 | C | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | H | A | 0.0000 | |
| 426 | E | A | -1.3778 | |
| 427 | A | A | -1.6305 | |
| 428 | L | A | -1.6002 | |
| 429 | H | A | -1.8969 | |
| 430 | N | A | -1.8100 | |
| 431 | H | A | -1.3934 | |
| 432 | Y | A | -0.6267 | |
| 433 | T | A | -0.8483 | |
| 434 | Q | A | -1.1653 | |
| 435 | K | A | -1.0082 | |
| 436 | S | A | -0.3777 | |
| 437 | L | A | 0.0000 | |
| 438 | S | A | 0.0221 | |
| 439 | L | A | -0.5507 | |
| 440 | S | A | -0.7339 | |
| 441 | P | A | -0.9686 | |
| 442 | G | A | -1.6474 | |
| 443 | K | A | -2.4930 | |
| 2 | Y | B | -0.3302 | |
| 3 | E | B | -1.7034 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.6493 | |
| 6 | Q | B | 0.0000 | |
| 8 | P | B | -0.5573 | |
| 9 | P | B | -0.8415 | |
| 10 | S | B | -0.9717 | |
| 11 | V | B | -0.4808 | |
| 12 | S | B | -0.6145 | |
| 13 | V | B | 0.0000 | |
| 14 | S | B | -0.9025 | |
| 15 | P | B | -0.9119 | |
| 16 | G | B | -1.3988 | |
| 17 | Q | B | -1.8143 | |
| 18 | T | B | -1.1076 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.3986 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.2165 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.6041 | |
| 25 | G | B | -2.3172 | |
| 26 | D | B | -3.6191 | |
| 27 | K | B | -3.9502 | |
| 28 | L | B | 0.0000 | |
| 29 | G | B | -2.7979 | |
| 30 | D | B | -3.1709 | |
| 31 | K | B | -1.7347 | |
| 32 | Y | B | -0.2387 | |
| 33 | A | B | 0.0000 | |
| 34 | C | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | -0.0446 | |
| 38 | Q | B | -0.8989 | |
| 39 | K | B | -1.4807 | |
| 40 | P | B | -1.3759 | |
| 41 | G | B | -1.5336 | |
| 42 | Q | B | -1.8533 | |
| 43 | S | B | -0.9026 | |
| 44 | P | B | 0.0000 | |
| 45 | V | B | 1.0762 | |
| 46 | L | B | 0.6702 | |
| 47 | V | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | -0.4556 | |
| 50 | Q | B | -0.2569 | |
| 51 | D | B | -1.0818 | |
| 52 | S | B | -1.2073 | |
| 53 | K | B | -1.6897 | |
| 54 | R | B | -1.7906 | |
| 55 | P | B | -0.7722 | |
| 56 | S | B | -0.8825 | |
| 57 | G | B | -0.8113 | |
| 58 | I | B | -0.5480 | |
| 59 | P | B | -1.2238 | |
| 60 | E | B | -2.2206 | |
| 61 | R | B | -1.4328 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -1.1265 | |
| 64 | G | B | -0.8204 | |
| 65 | S | B | -0.7805 | |
| 66 | N | B | -1.2926 | |
| 67 | S | B | -1.6787 | |
| 68 | G | B | -2.6153 | |
| 69 | N | B | -3.0801 | |
| 70 | T | B | -1.6237 | |
| 71 | A | B | 0.0000 | |
| 72 | T | B | -0.3903 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.3407 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.2058 | |
| 77 | G | B | -1.1741 | |
| 78 | T | B | 0.0000 | |
| 79 | Q | B | -0.6723 | |
| 80 | A | B | 0.1615 | |
| 81 | M | B | 0.7288 | |
| 82 | D | B | 0.0000 | |
| 83 | E | B | -0.6701 | |
| 84 | A | B | 0.0000 | |
| 85 | D | B | -1.3227 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | W | B | 0.5680 | |
| 92 | D | B | 0.3303 | |
| 93 | S | B | 0.6419 | |
| 94 | F | B | 1.7521 | |
| 95 | S | B | 0.9136 | |
| 95A | T | B | 0.0000 | |
| 96 | F | B | 0.0000 | |
| 97 | V | B | 0.0458 | |
| 98 | F | B | 0.0000 | |
| 99 | G | B | -0.4305 | |
| 100 | T | B | -0.6193 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -2.0700 | |
| 104 | V | B | 0.0000 | |
| 105 | T | B | -0.6172 | |
| 106 | V | B | 0.0000 | |
| 107 | L | B | -0.0047 | |
| 108 | G | B | -0.6811 | |
| 109 | Q | B | -1.1513 | |
| 110 | P | B | -1.4592 | |
| 111 | K | B | -2.2859 | |
| 112 | A | B | -1.4496 | |
| 113 | A | B | -0.9696 | |
| 114 | P | B | 0.0000 | |
| 115 | S | B | -0.5642 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | -0.1528 | |
| 118 | L | B | 0.1622 | |
| 119 | F | B | 0.0000 | |
| 120 | P | B | -0.1336 | |
| 121 | P | B | 0.0000 | |
| 122 | S | B | 0.0000 | |
| 123 | S | B | -1.3525 | |
| 124 | E | B | -2.1456 | |
| 125 | E | B | 0.0000 | |
| 126 | L | B | -1.8133 | |
| 127 | Q | B | -2.1252 | |
| 128 | A | B | -1.5542 | |
| 129 | N | B | -2.1506 | |
| 130 | K | B | -2.4289 | |
| 131 | A | B | 0.0000 | |
| 132 | T | B | 0.0000 | |
| 133 | L | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | I | B | 0.0000 | |
| 138 | S | B | -0.5222 | |
| 139 | D | B | -1.2218 | |
| 140 | F | B | 0.0000 | |
| 141 | Y | B | -1.1833 | |
| 142 | P | B | -1.0057 | |
| 143 | G | B | -0.4126 | |
| 144 | A | B | -0.2015 | |
| 145 | V | B | -0.0113 | |
| 146 | T | B | -0.1723 | |
| 147 | V | B | 0.1719 | |
| 148 | A | B | -0.2150 | |
| 149 | W | B | 0.0000 | |
| 150 | K | B | -0.9702 | |
| 151 | A | B | 0.0000 | |
| 152 | D | B | -1.4349 | |
| 153 | S | B | -0.9921 | |
| 154 | S | B | -0.8377 | |
| 155 | P | B | -0.7469 | |
| 156 | V | B | -0.5599 | |
| 157 | K | B | -1.2845 | |
| 158 | A | B | -0.3353 | |
| 159 | G | B | 0.0712 | |
| 160 | V | B | 1.0259 | |
| 161 | E | B | -0.1004 | |
| 162 | T | B | 0.0000 | |
| 163 | T | B | -0.3596 | |
| 164 | T | B | -0.3650 | |
| 165 | P | B | -0.6211 | |
| 166 | S | B | -1.0733 | |
| 167 | K | B | -1.7260 | |
| 168 | Q | B | -1.8987 | |
| 169 | S | B | -1.5797 | |
| 170 | N | B | -1.9385 | |
| 171 | N | B | 0.0000 | |
| 172 | K | B | 0.0000 | |
| 173 | Y | B | -0.6886 | |
| 174 | A | B | 0.0000 | |
| 175 | A | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | Y | B | 0.3037 | |
| 179 | L | B | 0.0000 | |
| 180 | S | B | -0.3806 | |
| 181 | L | B | -1.1940 | |
| 182 | T | B | -1.9249 | |
| 183 | P | B | -2.4966 | |
| 184 | E | B | -3.0950 | |
| 185 | Q | B | -2.4486 | |
| 186 | W | B | 0.0000 | |
| 187 | K | B | -3.1368 | |
| 188 | S | B | -2.4230 | |
| 189 | H | B | -2.6028 | |
| 190 | R | B | -2.8686 | |
| 191 | S | B | -1.6747 | |
| 192 | Y | B | 0.0000 | |
| 193 | S | B | -0.6231 | |
| 194 | C | B | 0.0000 | |
| 195 | Q | B | -0.6424 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -0.7313 | |
| 198 | H | B | 0.0000 | |
| 199 | E | B | -2.1522 | |
| 200 | G | B | -1.4554 | |
| 201 | S | B | -0.7884 | |
| 202 | T | B | -0.0533 | |
| 203 | V | B | 0.5056 | |
| 204 | E | B | -1.2811 | |
| 205 | K | B | -1.0972 | |
| 206 | T | B | -0.5709 | |
| 207 | V | B | -0.3091 | |
| 208 | A | B | -0.2338 | |
| 209 | P | B | -0.6747 | |
| 210 | T | B | -1.2205 | |
| 211 | E | B | -1.8564 | |
| 212 | C | B | -0.6139 | |
| 213 | S | B | -0.6529 | |
| 1 | Q | C | -1.5852 | |
| 2 | V | C | -1.3273 | |
| 3 | Q | C | -2.0006 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.7542 | |
| 6 | E | C | -1.1118 | |
| 7 | S | C | -0.8753 | |
| 8 | G | C | -0.7847 | |
| 9 | P | C | -0.2930 | |
| 10 | G | C | -0.2074 | |
| 11 | L | C | 0.0586 | |
| 12 | V | C | -0.9271 | |
| 13 | K | C | -2.1184 | |
| 14 | S | C | -1.4437 | |
| 15 | S | C | -1.7131 | |
| 16 | E | C | -2.4309 | |
| 17 | T | C | -2.1613 | |
| 18 | L | C | 0.0000 | |
| 19 | S | C | -1.1463 | |
| 20 | L | C | 0.0000 | |
| 21 | T | C | -0.7212 | |
| 22 | C | C | 0.0000 | |
| 23 | T | C | -1.2483 | |
| 24 | V | C | 0.0000 | |
| 25 | S | C | -1.4270 | |
| 26 | G | C | -1.2751 | |
| 27 | G | C | -1.1073 | |
| 28 | S | C | -0.5064 | |
| 29 | M | C | 0.0000 | |
| 30 | G | C | -0.5999 | |
| 31 | G | C | -0.0148 | |
| 32 | Y | C | 0.4840 | |
| 33 | Y | C | 0.0926 | |
| 34 | W | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | L | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.1481 | |
| 40 | S | C | 0.0002 | |
| 41 | P | C | 0.2161 | |
| 42 | V | C | 1.0838 | |
| 43 | K | C | -0.4046 | |
| 44 | G | C | -0.4113 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.5683 | |
| 47 | W | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | Y | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | F | C | -0.2442 | |
| 53 | H | C | -0.8281 | |
| 54 | T | C | -0.8985 | |
| 55 | G | C | -1.0320 | |
| 56 | H | C | -1.2778 | |
| 57 | T | C | -0.7359 | |
| 58 | N | C | -0.7693 | |
| 59 | Y | C | -0.6307 | |
| 60 | N | C | -0.4677 | |
| 61 | P | C | -0.5099 | |
| 62 | S | C | -0.7625 | |
| 63 | L | C | 0.0000 | |
| 64 | E | C | -1.9345 | |
| 65 | S | C | -1.4160 | |
| 66 | R | C | -2.0076 | |
| 67 | V | C | 0.0000 | |
| 68 | T | C | -1.3737 | |
| 69 | V | C | 0.0000 | |
| 70 | S | C | -0.7040 | |
| 71 | V | C | -0.9517 | |
| 72 | D | C | -1.8791 | |
| 73 | T | C | -1.6955 | |
| 74 | S | C | -1.5973 | |
| 75 | E | C | -2.5030 | |
| 76 | N | C | -1.8575 | |
| 77 | Q | C | -1.6022 | |
| 78 | F | C | 0.0000 | |
| 79 | S | C | -0.6897 | |
| 80 | L | C | 0.0000 | |
| 81 | R | C | -2.1598 | |
| 82 | L | C | 0.0000 | |
| 82A | R | C | -3.0251 | |
| 82B | S | C | -2.0525 | |
| 82C | V | C | 0.0000 | |
| 83 | T | C | -0.8080 | |
| 84 | A | C | -0.2082 | |
| 85 | A | C | 0.1469 | |
| 86 | D | C | 0.0000 | |
| 87 | T | C | 0.1547 | |
| 88 | A | C | 0.0000 | |
| 89 | V | C | 0.4741 | |
| 90 | Y | C | 0.0000 | |
| 91 | Y | C | 0.0000 | |
| 92 | C | C | 0.0000 | |
| 93 | A | C | 0.0000 | |
| 94 | S | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | P | C | -0.8999 | |
| 97 | R | C | -1.3815 | |
| 98 | G | C | -0.5406 | |
| 99 | Q | C | -0.4903 | |
| 100 | L | C | 1.4451 | |
| 100A | V | C | 1.7164 | |
| 100B | N | C | 0.2982 | |
| 100C | A | C | -0.1698 | |
| 100D | F | C | -0.2331 | |
| 100E | F | C | 0.0000 | |
| 101 | D | C | -0.5802 | |
| 102 | N | C | -0.9229 | |
| 103 | W | C | 0.0000 | |
| 104 | G | C | 0.0000 | |
| 105 | Q | C | -1.8070 | |
| 106 | G | C | -0.9069 | |
| 107 | T | C | 0.0000 | |
| 108 | L | C | 0.5406 | |
| 109 | V | C | 0.0000 | |
| 110 | T | C | 0.0000 | |
| 111 | V | C | 0.0000 | |
| 112 | A | C | -0.7206 | |
| 113 | S | C | -1.1703 | |
| 114 | A | C | -0.6903 | |
| 115 | S | C | -0.7897 | |
| 116 | T | C | -1.1611 | |
| 117 | K | C | -2.0556 | |
| 118 | G | C | -1.8455 | |
| 119 | P | C | 0.0000 | |
| 120 | S | C | -0.3577 | |
| 121 | V | C | 0.0000 | |
| 122 | F | C | -0.4119 | |
| 123 | P | C | -0.8359 | |
| 124 | L | C | 0.0000 | |
| 125 | A | C | -1.0506 | |
| 126 | P | C | 0.0000 | |
| 127 | S | C | -0.8100 | |
| 128 | S | C | -0.5923 | |
| 129 | K | C | -0.5363 | |
| 130 | S | C | 0.0000 | |
| 131 | T | C | -0.6031 | |
| 132 | S | C | -0.7867 | |
| 133 | G | C | -0.9841 | |
| 134 | G | C | -0.9888 | |
| 135 | T | C | -0.6020 | |
| 136 | A | C | 0.0000 | |
| 137 | A | C | 0.0000 | |
| 138 | L | C | 0.0000 | |
| 139 | G | C | 0.0000 | |
| 140 | C | C | 0.0000 | |
| 141 | L | C | 0.0000 | |
| 142 | V | C | 0.0000 | |
| 143 | K | C | 0.0000 | |
| 144 | D | C | -0.3807 | |
| 145 | Y | C | 0.0000 | |
| 146 | F | C | 0.0000 | |
| 147 | P | C | -0.8094 | |
| 148 | E | C | -0.6184 | |
| 149 | P | C | -0.7378 | |
| 150 | V | C | -0.6771 | |
| 151 | T | C | -0.6928 | |
| 152 | V | C | -0.3621 | |
| 153 | S | C | -0.4277 | |
| 154 | W | C | 0.0000 | |
| 155 | N | C | -0.8432 | |
| 156 | S | C | -0.7042 | |
| 157 | G | C | -0.6381 | |
| 158 | A | C | -0.3000 | |
| 159 | L | C | 0.0052 | |
| 160 | T | C | -0.1948 | |
| 161 | S | C | -0.2130 | |
| 162 | G | C | -0.3326 | |
| 163 | V | C | 0.1003 | |
| 164 | H | C | -0.2900 | |
| 165 | T | C | -0.0481 | |
| 166 | F | C | 0.0000 | |
| 167 | P | C | -0.2654 | |
| 168 | A | C | 0.2757 | |
| 169 | V | C | 1.0275 | |
| 170 | L | C | 1.4915 | |
| 171 | Q | C | 0.3503 | |
| 172 | S | C | -0.0505 | |
| 173 | S | C | -0.1996 | |
| 174 | G | C | 0.0010 | |
| 175 | L | C | 0.0314 | |
| 176 | Y | C | 0.4384 | |
| 177 | S | C | 0.0000 | |
| 178 | L | C | 0.0000 | |
| 179 | S | C | 0.0000 | |
| 180 | S | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 183 | T | C | -0.1886 | |
| 184 | V | C | 0.0000 | |
| 185 | P | C | -0.4538 | |
| 186 | S | C | -0.5430 | |
| 187 | S | C | -0.6847 | |
| 188 | S | C | -0.6287 | |
| 189 | L | C | -0.8519 | |
| 190 | G | C | -1.4959 | |
| 191 | T | C | -0.9435 | |
| 192 | Q | C | -1.4395 | |
| 193 | T | C | -1.1999 | |
| 194 | Y | C | 0.0000 | |
| 195 | I | C | -1.0185 | |
| 196 | C | C | 0.0000 | |
| 197 | N | C | -1.4215 | |
| 198 | V | C | 0.0000 | |
| 199 | N | C | -2.0369 | |
| 200 | H | C | 0.0000 | |
| 201 | K | C | -2.7839 | |
| 202 | P | C | -1.8244 | |
| 203 | S | C | -2.1795 | |
| 204 | N | C | -2.7618 | |
| 205 | T | C | -2.1951 | |
| 206 | K | C | -2.5293 | |
| 207 | V | C | -1.0241 | |
| 208 | D | C | -2.0504 | |
| 209 | K | C | -1.7692 | |
| 210 | R | C | -2.5096 | |
| 211 | V | C | 0.0000 | |
| 212 | E | C | -2.3217 | |
| 213 | P | C | -1.9881 | |
| 214 | K | C | -2.3023 | |
| 215 | S | C | -1.4586 | |
| 216 | C | C | -0.6938 | |
| 217 | D | C | -2.0281 | |
| 218 | K | C | -2.8250 | |
| 219 | T | C | -1.9515 | |
| 220 | H | C | -1.4223 | |
| 221 | T | C | -0.7263 | |
| 222 | C | C | 0.3989 | |
| 223 | P | C | 0.1187 | |
| 224 | P | C | 0.1646 | |
| 225 | C | C | 0.3746 | |
| 226 | P | C | -0.4961 | |
| 227 | A | C | -0.4850 | |
| 228 | P | C | -0.7768 | |
| 229 | E | C | -0.8801 | |
| 230 | L | C | 1.3141 | |
| 231 | L | C | 1.1495 | |
| 232 | G | C | 0.0967 | |
| 233 | G | C | -0.3850 | |
| 234 | P | C | 0.0000 | |
| 235 | S | C | 0.0653 | |
| 236 | V | C | 0.0000 | |
| 237 | F | C | 1.4210 | |
| 238 | L | C | 1.0081 | |
| 239 | F | C | 1.3115 | |
| 240 | P | C | -0.1257 | |
| 241 | P | C | 0.0000 | |
| 242 | K | C | -2.1404 | |
| 243 | P | C | -1.3195 | |
| 244 | K | C | -1.0881 | |
| 245 | D | C | 0.0000 | |
| 246 | T | C | 0.0000 | |
| 247 | L | C | -0.1825 | |
| 248 | M | C | 0.6311 | |
| 249 | I | C | 1.5646 | |
| 250 | S | C | 0.1876 | |
| 251 | R | C | -1.1849 | |
| 252 | T | C | -0.6534 | |
| 253 | P | C | 0.0000 | |
| 254 | E | C | -0.8972 | |
| 255 | V | C | 0.0000 | |
| 256 | T | C | 0.3213 | |
| 257 | C | C | 0.0000 | |
| 258 | V | C | 0.0000 | |
| 259 | V | C | 0.0000 | |
| 260 | V | C | -0.6655 | |
| 261 | D | C | -1.8710 | |
| 262 | V | C | 0.0000 | |
| 263 | S | C | -1.2024 | |
| 264 | H | C | -1.3854 | |
| 265 | E | C | -0.9122 | |
| 266 | D | C | 0.0000 | |
| 267 | P | C | -1.8011 | |
| 268 | E | C | -2.4849 | |
| 269 | V | C | -1.7105 | |
| 270 | K | C | -2.1172 | |
| 271 | F | C | -1.1691 | |
| 272 | N | C | -1.1135 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | -0.5936 | |
| 275 | V | C | -0.8835 | |
| 276 | D | C | -2.1408 | |
| 277 | G | C | -0.8398 | |
| 278 | V | C | 0.8010 | |
| 279 | E | C | -0.4885 | |
| 280 | V | C | -0.4603 | |
| 281 | H | C | -1.8642 | |
| 282 | N | C | -2.1711 | |
| 283 | A | C | -1.7675 | |
| 284 | K | C | -2.5361 | |
| 285 | T | C | -1.9745 | |
| 286 | K | C | -2.6781 | |
| 287 | P | C | -2.4002 | |
| 288 | R | C | -3.2085 | |
| 289 | E | C | -3.5457 | |
| 290 | E | C | -3.2152 | |
| 291 | Q | C | -1.9727 | |
| 292 | Y | C | -0.1609 | |
| 293 | N | C | -1.3103 | |
| 294 | S | C | -1.2101 | |
| 295 | T | C | -1.8626 | |
| 296 | Y | C | -2.3716 | |
| 297 | R | C | -2.4083 | |
| 298 | V | C | 0.0000 | |
| 299 | V | C | 0.0000 | |
| 300 | S | C | 0.0000 | |
| 301 | V | C | 0.0000 | |
| 302 | L | C | 0.0000 | |
| 303 | T | C | -0.6305 | |
| 304 | V | C | 0.0000 | |
| 305 | L | C | 0.1481 | |
| 306 | H | C | -0.3478 | |
| 307 | Q | C | -1.5324 | |
| 308 | D | C | -1.4731 | |
| 309 | W | C | 0.0000 | |
| 310 | L | C | -1.0487 | |
| 311 | N | C | -2.1782 | |
| 312 | G | C | -2.1479 | |
| 313 | K | C | -2.3798 | |
| 314 | E | C | -2.4233 | |
| 315 | Y | C | 0.0000 | |
| 316 | K | C | -1.6968 | |
| 317 | C | C | 0.0000 | |
| 318 | K | C | -1.5241 | |
| 319 | V | C | 0.0000 | |
| 320 | S | C | -1.3504 | |
| 321 | N | C | 0.0000 | |
| 322 | K | C | -1.8778 | |
| 323 | A | C | -1.1678 | |
| 324 | L | C | 0.0000 | |
| 325 | P | C | -0.4497 | |
| 326 | A | C | -0.6060 | |
| 327 | P | C | -0.8488 | |
| 328 | I | C | -0.7374 | |
| 329 | E | C | -1.9577 | |
| 330 | K | C | -1.1042 | |
| 331 | T | C | -0.9528 | |
| 332 | I | C | -0.2688 | |
| 333 | S | C | -1.2140 | |
| 334 | K | C | -1.2707 | |
| 335 | A | C | -1.1551 | |
| 336 | K | C | -2.3534 | |
| 337 | G | C | -2.1202 | |
| 338 | Q | C | -2.4462 | |
| 339 | P | C | -2.3717 | |
| 340 | R | C | -3.1453 | |
| 341 | E | C | -3.1620 | |
| 342 | P | C | 0.0000 | |
| 343 | Q | C | -1.3408 | |
| 344 | V | C | 0.0000 | |
| 345 | Y | C | 0.0000 | |
| 346 | T | C | -0.8049 | |
| 347 | L | C | 0.0000 | |
| 348 | P | C | -0.3849 | |
| 349 | P | C | -0.8611 | |
| 350 | S | C | 0.0000 | |
| 351 | R | C | -2.5216 | |
| 352 | E | C | -2.5655 | |
| 353 | E | C | 0.0000 | |
| 354 | M | C | -1.8918 | |
| 355 | T | C | -1.7156 | |
| 356 | K | C | -2.4860 | |
| 357 | N | C | -2.7353 | |
| 358 | Q | C | -2.5798 | |
| 359 | V | C | 0.0000 | |
| 360 | S | C | 0.0000 | |
| 361 | L | C | 0.0000 | |
| 362 | T | C | 0.0000 | |
| 363 | C | C | 0.0000 | |
| 364 | L | C | 0.0000 | |
| 365 | V | C | 0.0000 | |
| 366 | K | C | -0.6483 | |
| 367 | G | C | -1.2818 | |
| 368 | F | C | 0.0000 | |
| 369 | Y | C | -1.5038 | |
| 370 | P | C | 0.0000 | |
| 371 | S | C | -0.3244 | |
| 372 | D | C | -1.1136 | |
| 373 | I | C | 0.0000 | |
| 374 | A | C | 0.0000 | |
| 375 | V | C | -0.3341 | |
| 376 | E | C | -0.8764 | |
| 377 | W | C | 0.0000 | |
| 378 | E | C | -1.5675 | |
| 379 | S | C | 0.0000 | |
| 380 | N | C | -1.7958 | |
| 381 | G | C | -1.8575 | |
| 382 | Q | C | -2.2761 | |
| 383 | P | C | -1.8538 | |
| 384 | E | C | -1.7880 | |
| 385 | N | C | -2.0578 | |
| 386 | N | C | -1.5310 | |
| 387 | Y | C | -1.0866 | |
| 388 | K | C | -1.1603 | |
| 389 | T | C | -0.4502 | |
| 390 | T | C | 0.0000 | |
| 391 | P | C | -0.2739 | |
| 392 | P | C | 0.0199 | |
| 393 | V | C | 0.0000 | |
| 394 | L | C | 0.7524 | |
| 395 | D | C | -0.5940 | |
| 396 | S | C | -1.2120 | |
| 397 | D | C | -1.9166 | |
| 398 | G | C | -0.9327 | |
| 399 | S | C | 0.0000 | |
| 400 | F | C | -0.0396 | |
| 401 | F | C | 0.0000 | |
| 402 | L | C | 0.0000 | |
| 403 | Y | C | 0.0000 | |
| 404 | S | C | 0.0000 | |
| 405 | K | C | 0.0000 | |
| 406 | L | C | 0.0000 | |
| 407 | T | C | -0.9971 | |
| 408 | V | C | 0.0000 | |
| 409 | D | C | -2.5758 | |
| 410 | K | C | -2.7055 | |
| 411 | S | C | -2.3091 | |
| 412 | R | C | -2.0525 | |
| 413 | W | C | 0.0000 | |
| 414 | Q | C | -2.3488 | |
| 415 | Q | C | -2.1013 | |
| 416 | G | C | -1.0527 | |
| 417 | N | C | -0.5754 | |
| 418 | V | C | 0.7558 | |
| 419 | F | C | 0.0000 | |
| 420 | S | C | -0.6725 | |
| 421 | C | C | 0.0000 | |
| 422 | S | C | 0.0000 | |
| 423 | V | C | 0.0000 | |
| 424 | M | C | 0.0000 | |
| 425 | H | C | 0.0000 | |
| 426 | E | C | -1.3747 | |
| 427 | A | C | -1.9872 | |
| 428 | L | C | 0.0000 | |
| 429 | H | C | -1.9276 | |
| 430 | N | C | -1.8015 | |
| 431 | H | C | -1.3704 | |
| 432 | Y | C | -0.2612 | |
| 433 | T | C | -0.6833 | |
| 434 | Q | C | -1.1066 | |
| 435 | K | C | -1.1779 | |
| 436 | S | C | -0.4296 | |
| 437 | L | C | 0.0000 | |
| 438 | S | C | 0.0988 | |
| 439 | L | C | -0.0577 | |
| 440 | S | C | -0.1730 | |
| 2 | Y | D | -0.3208 | |
| 3 | E | D | -1.6994 | |
| 4 | L | D | 0.0000 | |
| 5 | T | D | -0.6475 | |
| 6 | Q | D | 0.0000 | |
| 8 | P | D | -0.3616 | |
| 9 | P | D | -0.5430 | |
| 10 | S | D | -0.4903 | |
| 11 | V | D | 0.0001 | |
| 12 | S | D | -0.0919 | |
| 13 | V | D | 0.0000 | |
| 14 | S | D | -0.6091 | |
| 15 | P | D | -0.8435 | |
| 16 | G | D | -1.3568 | |
| 17 | Q | D | -1.4262 | |
| 18 | T | D | -0.9701 | |
| 19 | A | D | 0.0000 | |
| 20 | S | D | -0.3614 | |
| 21 | I | D | 0.0000 | |
| 22 | T | D | -0.2125 | |
| 23 | C | D | 0.0000 | |
| 24 | S | D | -1.6013 | |
| 25 | G | D | -2.3124 | |
| 26 | D | D | -3.6147 | |
| 27 | K | D | -3.9445 | |
| 28 | L | D | 0.0000 | |
| 29 | G | D | -2.7800 | |
| 30 | D | D | -3.1609 | |
| 31 | K | D | -1.7250 | |
| 32 | Y | D | -0.2413 | |
| 33 | A | D | 0.0000 | |
| 34 | C | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | Q | D | -0.0981 | |
| 38 | Q | D | -0.8175 | |
| 39 | K | D | -1.3627 | |
| 40 | P | D | -1.3756 | |
| 41 | G | D | -1.4838 | |
| 42 | Q | D | -1.7477 | |
| 43 | S | D | -0.8706 | |
| 44 | P | D | 0.0000 | |
| 45 | V | D | 1.0827 | |
| 46 | L | D | 0.6672 | |
| 47 | V | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | Y | D | -0.5002 | |
| 50 | Q | D | -0.3098 | |
| 51 | D | D | -1.1127 | |
| 52 | S | D | -1.2549 | |
| 53 | K | D | -1.7819 | |
| 54 | R | D | -1.8208 | |
| 55 | P | D | -0.7798 | |
| 56 | S | D | -0.8851 | |
| 57 | G | D | -0.8079 | |
| 58 | I | D | -0.5462 | |
| 59 | P | D | -1.2240 | |
| 60 | E | D | -2.2213 | |
| 61 | R | D | -1.4281 | |
| 62 | F | D | 0.0000 | |
| 63 | S | D | -1.1395 | |
| 64 | G | D | -0.8385 | |
| 65 | S | D | -0.7907 | |
| 66 | N | D | -1.2880 | |
| 67 | S | D | -1.6713 | |
| 68 | G | D | -2.6088 | |
| 69 | N | D | -3.0761 | |
| 70 | T | D | -1.6196 | |
| 71 | A | D | 0.0000 | |
| 72 | T | D | -0.3880 | |
| 73 | L | D | 0.0000 | |
| 74 | T | D | -0.3385 | |
| 75 | I | D | 0.0000 | |
| 76 | S | D | -1.1394 | |
| 77 | G | D | -1.0623 | |
| 78 | T | D | 0.0000 | |
| 79 | Q | D | -0.6301 | |
| 80 | A | D | 0.0135 | |
| 81 | M | D | 0.5995 | |
| 82 | D | D | 0.0000 | |
| 83 | E | D | -0.3216 | |
| 84 | A | D | 0.0000 | |
| 85 | D | D | -1.0891 | |
| 86 | Y | D | 0.0000 | |
| 87 | Y | D | 0.0000 | |
| 88 | C | D | 0.0000 | |
| 89 | Q | D | 0.0000 | |
| 90 | A | D | 0.0000 | |
| 91 | W | D | 0.5747 | |
| 92 | D | D | 0.3386 | |
| 93 | S | D | 0.6455 | |
| 94 | F | D | 1.7539 | |
| 95 | S | D | 0.9143 | |
| 95A | T | D | 0.0000 | |
| 96 | F | D | 0.0000 | |
| 97 | V | D | 0.0316 | |
| 98 | F | D | 0.0000 | |
| 99 | G | D | -0.4384 | |
| 100 | T | D | -0.6068 | |
| 101 | G | D | 0.0000 | |
| 102 | T | D | 0.0000 | |
| 103 | K | D | -0.9041 | |
| 104 | V | D | 0.0000 | |
| 105 | T | D | -0.1200 | |
| 106 | V | D | 0.0000 | |
| 107 | L | D | 0.1475 | |
| 108 | G | D | 0.0000 | |
| 109 | Q | D | 0.0000 | |
| 110 | P | D | -1.2344 | |
| 111 | K | D | -2.0813 | |
| 112 | A | D | -1.3649 | |
| 113 | A | D | -0.6865 | |
| 114 | P | D | 0.0000 | |
| 115 | S | D | -0.4495 | |
| 116 | V | D | 0.0000 | |
| 117 | T | D | 0.0000 | |
| 118 | L | D | 0.0000 | |
| 119 | F | D | 0.0000 | |
| 120 | P | D | -0.2022 | |
| 121 | P | D | -0.4370 | |
| 122 | S | D | -0.5849 | |
| 123 | S | D | -0.9872 | |
| 124 | E | D | -1.7836 | |
| 125 | E | D | 0.0000 | |
| 126 | L | D | -1.9426 | |
| 127 | Q | D | -2.0868 | |
| 128 | A | D | -1.7269 | |
| 129 | N | D | -2.6015 | |
| 130 | K | D | -2.5652 | |
| 131 | A | D | 0.0000 | |
| 132 | T | D | 0.0000 | |
| 133 | L | D | 0.0000 | |
| 134 | V | D | 0.0000 | |
| 135 | C | D | 0.0000 | |
| 136 | L | D | 0.0000 | |
| 137 | I | D | 0.0000 | |
| 138 | S | D | 0.0000 | |
| 139 | D | D | -1.2076 | |
| 140 | F | D | 0.0000 | |
| 141 | Y | D | 0.0000 | |
| 142 | P | D | -0.9969 | |
| 143 | G | D | -0.5480 | |
| 144 | A | D | -0.2463 | |
| 145 | V | D | -0.1154 | |
| 146 | T | D | -0.3462 | |
| 147 | V | D | -0.0135 | |
| 148 | A | D | -0.0476 | |
| 149 | W | D | 0.0000 | |
| 150 | K | D | -0.8469 | |
| 151 | A | D | -0.9243 | |
| 152 | D | D | -1.2722 | |
| 153 | S | D | -0.8314 | |
| 154 | S | D | -0.5809 | |
| 155 | P | D | -0.5903 | |
| 156 | V | D | -0.4628 | |
| 157 | K | D | -1.2770 | |
| 158 | A | D | -0.2917 | |
| 159 | G | D | 0.0835 | |
| 160 | V | D | 0.9857 | |
| 161 | E | D | -0.2238 | |
| 162 | T | D | 0.0000 | |
| 163 | T | D | -0.4170 | |
| 164 | T | D | -0.5016 | |
| 165 | P | D | -0.8445 | |
| 166 | S | D | -1.3116 | |
| 167 | K | D | -2.0001 | |
| 168 | Q | D | -1.8083 | |
| 169 | S | D | -1.4915 | |
| 170 | N | D | -1.6503 | |
| 171 | N | D | -1.5137 | |
| 172 | K | D | -1.5224 | |
| 173 | Y | D | -0.7105 | |
| 174 | A | D | 0.0000 | |
| 175 | A | D | 0.0000 | |
| 176 | S | D | 0.0000 | |
| 177 | S | D | 0.0000 | |
| 178 | Y | D | 0.0000 | |
| 179 | L | D | 0.0000 | |
| 180 | S | D | -0.2437 | |
| 181 | L | D | -1.1711 | |
| 182 | T | D | -2.2222 | |
| 183 | P | D | -2.7313 | |
| 184 | E | D | -3.2913 | |
| 185 | Q | D | -2.7609 | |
| 186 | W | D | -2.5981 | |
| 187 | K | D | -3.0585 | |
| 188 | S | D | -2.4764 | |
| 189 | H | D | -2.3935 | |
| 190 | R | D | -2.5570 | |
| 191 | S | D | -1.3693 | |
| 192 | Y | D | 0.0000 | |
| 193 | S | D | -0.3166 | |
| 194 | C | D | 0.0000 | |
| 195 | Q | D | -0.8193 | |
| 196 | V | D | 0.0000 | |
| 197 | T | D | -1.0892 | |
| 198 | H | D | 0.0000 | |
| 199 | E | D | -2.4109 | |
| 200 | G | D | -1.6483 | |
| 201 | S | D | -1.1991 | |
| 202 | T | D | -0.8441 | |
| 203 | V | D | -0.9000 | |
| 204 | E | D | -2.1771 | |
| 205 | K | D | -1.4283 | |
| 206 | T | D | -0.7545 | |
| 207 | V | D | -0.1100 | |
| 208 | A | D | -0.2528 | |
| 209 | P | D | 0.0000 | |
| 210 | T | D | -0.6573 | |
| 211 | E | D | -0.9437 | |
| 212 | C | D | -0.0481 | |
| 213 | S | D | -0.0792 |
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 | -0.6466 | 4.6003 | View | CSV | PDB |
| 4.5 | -0.6935 | 4.6003 | View | CSV | PDB |
| 5.0 | -0.749 | 4.6003 | View | CSV | PDB |
| 5.5 | -0.8001 | 4.6003 | View | CSV | PDB |
| 6.0 | -0.8328 | 4.6003 | View | CSV | PDB |
| 6.5 | -0.8375 | 4.6003 | View | CSV | PDB |
| 7.0 | -0.8164 | 4.6003 | View | CSV | PDB |
| 7.5 | -0.7803 | 4.6003 | View | CSV | PDB |
| 8.0 | -0.7371 | 4.6003 | View | CSV | PDB |
| 8.5 | -0.6894 | 4.6003 | View | CSV | PDB |
| 9.0 | -0.6375 | 4.6003 | 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