| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNF NSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQR LNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDR ETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH (Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[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: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:17)
[INFO] FoldX: Starting FoldX energy minimization (00:00:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9bdadb58fe24a4a/tmp/folded.pdb (00:22:26)
[INFO] Main: Simulation completed successfully. (00:28:13)
|
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 | S | A | -0.4248 | |
| 2 | S | A | -0.4814 | |
| 3 | V | A | -0.2987 | |
| 4 | L | A | -0.5876 | |
| 5 | K | A | -1.7596 | |
| 6 | T | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | E | A | -2.0504 | |
| 9 | R | A | -2.5539 | |
| 10 | F | A | 0.0000 | |
| 11 | T | A | -1.4817 | |
| 12 | I | A | -1.2149 | |
| 13 | Q | A | -1.8259 | |
| 14 | Q | A | -1.5548 | |
| 15 | E | A | -1.1189 | |
| 16 | L | A | -0.8707 | |
| 17 | Q | A | -2.3507 | |
| 18 | E | A | -2.4587 | |
| 19 | Q | A | -2.7959 | |
| 20 | S | A | -2.7080 | |
| 21 | E | A | -3.1573 | |
| 22 | D | A | -2.5926 | |
| 23 | T | A | -1.7376 | |
| 24 | P | A | 0.0943 | |
| 25 | I | A | 1.0640 | |
| 26 | P | A | 0.5146 | |
| 27 | L | A | -0.2894 | |
| 28 | E | A | -1.7351 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -2.4675 | |
| 32 | P | A | 0.0000 | |
| 33 | T | A | -1.0391 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.1123 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.3912 | |
| 41 | N | A | -2.7460 | |
| 42 | N | A | -2.4284 | |
| 43 | D | A | -2.1651 | |
| 44 | P | A | -1.4668 | |
| 45 | V | A | 0.0167 | |
| 46 | V | A | -0.3660 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.0982 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9156 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.0183 | |
| 62 | T | A | -1.3842 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -2.1424 | |
| 65 | E | A | -2.3225 | |
| 66 | G | A | -1.5937 | |
| 67 | H | A | -1.2524 | |
| 68 | R | A | -1.3214 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.0685 | |
| 80 | S | A | -0.3720 | |
| 81 | A | A | -0.8411 | |
| 82 | A | A | -1.0471 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.4762 | |
| 85 | N | A | -1.7213 | |
| 86 | H | A | -1.0801 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.8159 | |
| 89 | L | A | -0.7293 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.6272 | |
| 92 | H | A | -0.8174 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.0448 | |
| 95 | E | A | -1.2322 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.1300 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.5333 | |
| 100 | R | A | -1.8734 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.2198 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.5574 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7511 | |
| 107 | E | A | -1.9027 | |
| 108 | N | A | -2.4121 | |
| 109 | N | A | -2.4807 | |
| 110 | S | A | -1.8093 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2145 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.1177 | |
| 115 | P | A | -0.4194 | |
| 116 | D | A | -0.8870 | |
| 117 | A | A | -0.9320 | |
| 118 | R | A | -1.9847 | |
| 119 | T | A | -1.2545 | |
| 120 | S | A | -0.8135 | |
| 121 | T | A | -0.8680 | |
| 122 | M | A | -0.7249 | |
| 123 | S | A | -1.3389 | |
| 124 | R | A | -2.1286 | |
| 125 | G | A | -1.5612 | |
| 126 | E | A | -1.3294 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.4812 | |
| 129 | A | A | -0.6051 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8134 | |
| 132 | A | A | -0.7517 | |
| 133 | L | A | -1.0280 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.3952 | |
| 136 | D | A | -2.0985 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.8179 | |
| 139 | D | A | -2.1793 | |
| 140 | E | A | -1.7899 | |
| 141 | F | A | 1.0050 | |
| 142 | G | A | 0.0954 | |
| 143 | A | A | 0.4675 | |
| 144 | I | A | 1.4533 | |
| 145 | A | A | 0.4930 | |
| 146 | G | A | -0.4781 | |
| 147 | F | A | 0.3248 | |
| 148 | I | A | 0.8931 | |
| 149 | E | A | -1.1808 | |
| 150 | G | A | -0.8122 | |
| 151 | G | A | -0.1757 | |
| 152 | W | A | 0.2570 | |
| 153 | T | A | -0.4074 | |
| 154 | G | A | -0.3521 | |
| 155 | M | A | 0.0757 | |
| 156 | V | A | 0.0769 | |
| 157 | D | A | -0.9641 | |
| 158 | G | A | -0.3703 | |
| 159 | W | A | 0.5424 | |
| 160 | Y | A | 0.8508 | |
| 161 | G | A | 0.1280 | |
| 162 | Y | A | 0.2632 | |
| 163 | H | A | -1.1251 | |
| 164 | H | A | -2.3900 | |
| 165 | Q | A | -3.0955 | |
| 166 | N | A | -3.6950 | |
| 167 | E | A | -3.5765 | |
| 168 | Q | A | -2.9828 | |
| 169 | G | A | -1.9304 | |
| 170 | S | A | -1.1684 | |
| 171 | G | A | -0.8606 | |
| 172 | Y | A | 0.4261 | |
| 173 | A | A | 0.2169 | |
| 174 | A | A | -0.5064 | |
| 175 | D | A | -1.4949 | |
| 176 | L | A | -0.5288 | |
| 177 | K | A | -2.1230 | |
| 178 | S | A | -1.5313 | |
| 179 | T | A | -1.1133 | |
| 180 | Q | A | -1.8048 | |
| 181 | N | A | -2.1299 | |
| 182 | A | A | -1.0090 | |
| 183 | I | A | -0.4950 | |
| 184 | D | A | -2.2766 | |
| 185 | K | A | -2.7532 | |
| 186 | I | A | -1.3012 | |
| 187 | T | A | -1.6894 | |
| 188 | N | A | -2.4283 | |
| 189 | K | A | -2.0505 | |
| 190 | V | A | -0.5845 | |
| 191 | N | A | -1.7174 | |
| 192 | S | A | -1.1317 | |
| 193 | V | A | 0.0000 | |
| 194 | I | A | 0.7297 | |
| 195 | E | A | -1.4132 | |
| 196 | L | A | -0.5341 | |
| 197 | T | A | -0.8894 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | -2.6277 | |
| 200 | H | A | -2.6194 | |
| 201 | Q | A | -2.6542 | |
| 202 | T | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | V | A | -0.2770 | |
| 206 | N | A | -1.4129 | |
| 207 | L | A | -0.6591 | |
| 208 | Q | A | -1.8701 | |
| 209 | N | A | -2.7120 | |
| 210 | D | A | -2.7717 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -1.5613 | |
| 213 | D | A | -2.3474 | |
| 214 | D | A | -0.9137 | |
| 215 | I | A | 0.6573 | |
| 216 | F | A | 0.0000 | |
| 217 | D | A | -2.1586 | |
| 218 | E | A | -2.7664 | |
| 219 | T | A | -2.4703 | |
| 220 | E | A | -2.9382 | |
| 221 | K | A | -2.2487 | |
| 222 | F | A | 0.0000 | |
| 223 | L | A | -1.0402 | |
| 224 | D | A | -1.1807 | |
| 225 | V | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | Y | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | C | A | 0.0484 | |
| 239 | K | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | M | A | -0.1136 | |
| 242 | T | A | -0.5266 | |
| 243 | A | A | -1.2059 | |
| 244 | P | A | -1.7950 | |
| 245 | D | A | -2.5161 | |
| 246 | Q | A | -2.0346 | |
| 247 | P | A | -0.8877 | |
| 248 | P | A | -0.4085 | |
| 249 | V | A | 0.8639 | |
| 250 | S | A | -0.1235 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | -0.5725 | |
| 253 | K | A | -1.7606 | |
| 254 | R | A | -1.5392 | |
| 255 | M | A | 0.0000 | |
| 256 | A | A | -1.8012 | |
| 257 | K | A | -2.4419 | |
| 258 | Y | A | 0.0000 | |
| 259 | Q | A | -2.0281 | |
| 260 | Q | A | -2.5230 | |
| 261 | Q | A | -2.4441 | |
| 262 | G | A | -1.8552 | |
| 263 | R | A | -1.5995 | |
| 264 | I | A | 0.0000 | |
| 265 | N | A | -0.7553 | |
| 266 | A | A | -0.1218 | |
| 267 | C | A | 0.6152 | |
| 268 | R | A | -0.3429 | |
| 269 | Y | A | 0.0000 | |
| 270 | V | A | 0.2495 | |
| 271 | L | A | 0.0000 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.7285 | |
| 274 | E | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | Q | A | -0.5891 | |
| 277 | R | A | -0.8276 | |
| 278 | L | A | -0.4370 | |
| 279 | I | A | 0.0000 | |
| 280 | Q | A | -0.8199 | |
| 281 | N | A | -1.1996 | |
| 282 | A | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | R | A | -1.2264 | |
| 285 | K | A | -1.8168 | |
| 286 | S | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | R | A | 0.0000 | |
| 291 | H | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | M | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | Y | A | 0.1565 | |
| 296 | E | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | Q | A | -0.5124 | |
| 299 | L | A | -0.0955 | |
| 300 | S | A | -0.6475 | |
| 301 | Q | A | -0.9656 | |
| 302 | S | A | -0.8929 | |
| 303 | R | A | -1.4970 | |
| 304 | S | A | -0.1109 | |
| 305 | L | A | 1.5391 | |
| 306 | L | A | 1.5714 | |
| 307 | A | A | 0.0250 | |
| 308 | N | A | -1.2556 | |
| 309 | R | A | -1.5739 | |
| 310 | Y | A | 0.0000 | |
| 311 | Y | A | -0.5282 | |
| 312 | A | A | -0.4393 | |
| 313 | M | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | G | A | -0.8570 | |
| 316 | D | A | -0.9393 | |
| 317 | I | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | K | A | -1.7511 | |
| 320 | Y | A | -0.5342 | |
| 321 | I | A | 0.0000 | |
| 322 | E | A | 0.0000 | |
| 323 | H | A | -0.8068 | |
| 324 | S | A | -0.6446 | |
| 325 | G | A | -0.4829 | |
| 326 | M | A | 0.0000 | |
| 327 | G | A | -0.1608 | |
| 328 | G | A | -0.0584 | |
| 329 | F | A | 0.0000 | |
| 330 | F | A | 0.0866 | |
| 331 | L | A | -0.1190 | |
| 332 | T | A | 0.0000 | |
| 333 | L | A | -0.4125 | |
| 334 | K | A | -1.5613 | |
| 335 | Y | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | L | A | -0.6643 | |
| 338 | G | A | -1.1753 | |
| 339 | T | A | -1.3980 | |
| 340 | R | A | -2.3238 | |
| 341 | W | A | -1.0470 | |
| 342 | P | A | -1.2395 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | S | A | -0.5211 | |
| 351 | G | A | -0.8540 | |
| 352 | E | A | -0.8528 | |
| 353 | L | A | -0.3941 | |
| 354 | Q | A | -0.8009 | |
| 355 | K | A | -1.0678 | |
| 356 | L | A | 0.0000 | |
| 357 | K | A | -0.8980 | |
| 358 | A | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | M | A | 0.0372 | |
| 361 | L | A | 0.2262 | |
| 362 | H | A | 0.0000 | |
| 363 | Y | A | -0.2787 | |
| 364 | Q | A | -0.8290 | |
| 365 | S | A | -0.6447 | |
| 366 | L | A | -0.6694 | |
| 367 | G | A | -0.5640 | |
| 368 | P | A | -0.6549 | |
| 369 | M | A | -0.3738 | |
| 370 | A | A | 0.0000 | |
| 371 | K | A | -1.0423 | |
| 372 | Y | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | A | A | -0.3657 | |
| 375 | L | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | -0.5433 | |
| 378 | S | A | 0.0000 | |
| 379 | P | A | -0.3941 | |
| 380 | K | A | 0.0000 | |
| 381 | L | A | 0.0459 | |
| 382 | M | A | -0.1805 | |
| 383 | D | A | -0.6651 | |
| 384 | F | A | 0.0000 | |
| 385 | V | A | 0.0562 | |
| 386 | P | A | 0.0000 | |
| 387 | S | A | -0.7585 | |
| 388 | E | A | -1.1716 | |
| 389 | Y | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | Y | A | 0.0000 | |
| 394 | S | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | M | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | T | A | -0.2358 | |
| 402 | V | A | 0.3844 | |
| 403 | L | A | 0.6615 | |
| 404 | D | A | -0.3587 | |
| 405 | T | A | -1.1796 | |
| 406 | N | A | -2.0872 | |
| 407 | M | A | 0.0000 | |
| 408 | R | A | -2.6505 | |
| 409 | N | A | -2.3514 | |
| 410 | Y | A | -1.2515 | |
| 411 | A | A | -0.7078 | |
| 412 | Y | A | -0.7128 | |
| 413 | G | A | -0.6877 | |
| 414 | R | A | -1.2319 | |
| 415 | S | A | -0.8874 | |
| 416 | Y | A | -0.7471 | |
| 417 | L | A | -0.4907 | |
| 418 | N | A | -0.5548 | |
| 419 | P | A | -0.2257 | |
| 420 | Q | A | -0.7789 | |
| 421 | Y | A | 0.0000 | |
| 422 | F | A | -0.1575 | |
| 423 | Q | A | -0.5150 | |
| 424 | L | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | V | A | 0.0264 | |
| 427 | E | A | -0.7865 | |
| 428 | T | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | R | A | -1.7495 | |
| 431 | K | A | -1.6998 | |
| 432 | Q | A | -1.4976 | |
| 433 | Q | A | -1.2404 | |
| 434 | G | A | -0.9176 | |
| 435 | A | A | -1.0135 | |
| 436 | V | A | -1.6486 | |
| 437 | D | A | -3.4626 | |
| 438 | N | A | -3.7657 | |
| 439 | R | A | -4.0535 | |
| 440 | T | A | -2.8407 | |
| 441 | A | A | 0.0000 | |
| 442 | E | A | -3.6783 | |
| 443 | D | A | -2.9678 | |
| 444 | L | A | -0.7216 | |
| 445 | G | A | -1.3509 | |
| 446 | M | A | -1.1919 | |
| 447 | T | A | -0.7502 | |
| 448 | A | A | -0.5656 | |
| 449 | A | A | -0.8772 | |
| 450 | D | A | -1.5371 | |
| 451 | K | A | -1.4150 | |
| 452 | A | A | -0.9996 | |
| 453 | D | A | -1.8647 | |
| 454 | L | A | -0.6500 | |
| 455 | T | A | -0.6512 | |
| 456 | A | A | -0.8165 | |
| 457 | T | A | -0.3478 | |
| 458 | I | A | 0.0622 | |
| 459 | S | A | -0.4797 | |
| 460 | K | A | -0.7136 | |
| 461 | L | A | 0.7400 | |
| 462 | S | A | 0.3867 | |
| 463 | L | A | 1.3028 | |
| 464 | S | A | 0.3786 | |
| 465 | Q | A | -0.3076 | |
| 466 | L | A | 0.5937 | |
| 467 | P | A | -1.3041 | |
| 468 | R | A | -2.6004 | |
| 469 | G | A | -2.5218 | |
| 470 | R | A | -2.7171 | |
| 471 | Q | A | -2.0883 | |
| 472 | P | A | -0.7373 | |
| 473 | I | A | 0.6993 | |
| 474 | S | A | -0.0911 | |
| 475 | D | A | -0.4515 | |
| 476 | P | A | 0.0756 | |
| 477 | F | A | 0.8144 | |
| 478 | A | A | -0.2870 | |
| 479 | G | A | -1.1877 | |
| 480 | A | A | -1.2150 | |
| 481 | N | A | -2.8979 | |
| 482 | D | A | -3.9670 | |
| 483 | R | A | -4.1181 | |
| 484 | E | A | -3.7064 | |
| 485 | T | A | -2.1109 | |
| 486 | G | A | -1.6621 | |
| 487 | G | A | -1.4601 | |
| 488 | Q | A | -1.5084 | |
| 489 | A | A | -1.1223 | |
| 490 | T | A | -1.3121 | |
| 491 | D | A | -1.7242 | |
| 492 | T | A | -0.4484 | |
| 493 | P | A | 0.2098 | |
| 494 | V | A | 1.9403 | |
| 495 | Y | A | 1.9697 | |
| 496 | N | A | 0.7102 | |
| 497 | F | A | 1.9245 | |
| 545 | L | A | 1.2411 | |
| 546 | N | A | 0.1548 | |
| 547 | L | A | 1.3479 | |
| 548 | P | A | 0.8093 | |
| 549 | V | A | 1.7172 | |
| 550 | P | A | 0.5656 | |
| 551 | Q | A | -0.3474 | |
| 552 | C | A | 0.0810 | |
| 553 | T | A | -0.1098 | |
| 554 | S | A | -0.3272 | |
| 555 | G | A | -0.4517 | |
| 556 | M | A | -0.7063 | |
| 557 | S | A | -1.3597 | |
| 558 | S | A | -1.7778 | |
| 559 | E | A | -3.1157 | |
| 560 | E | A | -2.8552 | |
| 561 | F | A | -1.8133 | |
| 562 | Q | A | -2.6535 | |
| 563 | H | A | -2.7149 | |
| 564 | S | A | -1.5786 | |
| 565 | M | A | -0.9986 | |
| 566 | N | A | -1.6858 | |
| 567 | Q | A | -1.8937 | |
| 568 | Y | A | -0.3349 | |
| 569 | I | A | -0.4881 | |
| 570 | R | A | -2.4286 | |
| 571 | A | A | -1.6691 | |
| 572 | M | A | -1.1965 | |
| 573 | H | A | -2.4198 | |
| 574 | E | A | -3.1966 | |
| 575 | Q | A | -2.4117 | |
| 576 | Y | A | -1.5851 | |
| 577 | R | A | -3.2009 | |
| 578 | G | A | -3.1521 | |
| 579 | S | A | -2.8827 | |
| 580 | Q | A | -3.5897 | |
| 581 | D | A | -4.1971 | |
| 582 | D | A | -4.0652 | |
| 583 | D | A | -3.4735 | |
| 584 | A | A | -2.0208 | |
| 1 | S | B | 0.0219 | |
| 2 | S | B | 0.6155 | |
| 3 | V | B | 1.9841 | |
| 4 | L | B | 1.5230 | |
| 5 | K | B | -0.3787 | |
| 6 | T | B | 0.4801 | |
| 7 | F | B | 1.0690 | |
| 8 | E | B | -0.4906 | |
| 9 | R | B | -1.2162 | |
| 10 | F | B | 0.5734 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -0.7630 | |
| 13 | Q | B | -2.0368 | |
| 14 | Q | B | -2.2456 | |
| 15 | E | B | -1.9138 | |
| 16 | L | B | -1.6009 | |
| 17 | Q | B | -3.1231 | |
| 18 | E | B | -3.8346 | |
| 19 | Q | B | -3.4344 | |
| 20 | S | B | -3.0916 | |
| 21 | E | B | -3.2231 | |
| 22 | D | B | -2.8336 | |
| 23 | T | B | -1.8317 | |
| 24 | P | B | 0.0938 | |
| 25 | I | B | 1.3823 | |
| 26 | P | B | 0.8990 | |
| 27 | L | B | 1.2402 | |
| 28 | E | B | -0.8214 | |
| 29 | T | B | -0.2821 | |
| 30 | I | B | 0.6028 | |
| 31 | R | B | -1.5319 | |
| 32 | P | B | -0.9357 | |
| 33 | T | B | -1.0244 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.2918 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.0087 | |
| 41 | N | B | -1.9522 | |
| 42 | N | B | -2.1614 | |
| 43 | D | B | -1.6981 | |
| 44 | P | B | -0.8718 | |
| 45 | V | B | 0.2334 | |
| 46 | V | B | -0.2501 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.0988 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | 0.0000 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0185 | |
| 62 | T | B | -1.4483 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -3.1693 | |
| 65 | E | B | -3.4058 | |
| 66 | G | B | -2.2721 | |
| 67 | H | B | -1.8466 | |
| 68 | R | B | -1.8897 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | A | B | -1.4552 | |
| 82 | A | B | -1.0971 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.1201 | |
| 85 | N | B | -1.1145 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.3540 | |
| 89 | L | B | -0.5845 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.6722 | |
| 92 | H | B | -1.0721 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.2314 | |
| 95 | E | B | -1.3556 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.1152 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.8999 | |
| 100 | R | B | -1.8300 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.2215 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.3770 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7510 | |
| 107 | E | B | -1.7971 | |
| 108 | N | B | -2.3485 | |
| 109 | N | B | -2.4285 | |
| 110 | S | B | -1.7874 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.1464 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0242 | |
| 115 | P | B | -0.4658 | |
| 116 | D | B | -0.9110 | |
| 117 | A | B | -0.9614 | |
| 118 | R | B | -1.9731 | |
| 119 | T | B | -1.1956 | |
| 120 | S | B | -0.7841 | |
| 121 | T | B | -0.9007 | |
| 122 | M | B | -0.7514 | |
| 123 | S | B | -1.3504 | |
| 124 | R | B | -2.1488 | |
| 125 | G | B | -1.5880 | |
| 126 | E | B | -1.3832 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.5412 | |
| 129 | A | B | -0.6714 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.9804 | |
| 132 | A | B | -0.8160 | |
| 133 | L | B | -1.1108 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.3436 | |
| 136 | D | B | -1.9868 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | D | B | -1.7709 | |
| 140 | E | B | -1.4373 | |
| 141 | F | B | 1.1436 | |
| 142 | G | B | 0.3950 | |
| 143 | A | B | 0.2563 | |
| 144 | I | B | 1.3328 | |
| 145 | A | B | 0.3363 | |
| 146 | G | B | -0.3585 | |
| 147 | F | B | 0.2761 | |
| 148 | I | B | 0.5101 | |
| 149 | E | B | -1.3272 | |
| 150 | G | B | -1.0416 | |
| 151 | G | B | -0.5626 | |
| 152 | W | B | 0.0394 | |
| 153 | T | B | -0.5815 | |
| 154 | G | B | -0.8914 | |
| 155 | M | B | -0.0848 | |
| 156 | V | B | -0.1509 | |
| 157 | D | B | -1.1422 | |
| 158 | G | B | -0.5007 | |
| 159 | W | B | 0.4781 | |
| 160 | Y | B | 0.7318 | |
| 161 | G | B | 0.0530 | |
| 162 | Y | B | 0.1620 | |
| 163 | H | B | -1.2004 | |
| 164 | H | B | -2.3792 | |
| 165 | Q | B | -3.2469 | |
| 166 | N | B | -3.6720 | |
| 167 | E | B | -3.5719 | |
| 168 | Q | B | -2.9564 | |
| 169 | G | B | -1.9223 | |
| 170 | S | B | -1.0469 | |
| 171 | G | B | -0.6312 | |
| 172 | Y | B | 0.6236 | |
| 173 | A | B | 0.2598 | |
| 174 | A | B | -0.4137 | |
| 175 | D | B | -1.5100 | |
| 176 | L | B | -0.5232 | |
| 177 | K | B | -2.0703 | |
| 178 | S | B | -1.4760 | |
| 179 | T | B | -1.0528 | |
| 180 | Q | B | -1.7612 | |
| 181 | N | B | -2.0640 | |
| 182 | A | B | 0.0000 | |
| 183 | I | B | -0.3710 | |
| 184 | D | B | -2.1481 | |
| 185 | K | B | -2.5974 | |
| 186 | I | B | -1.0689 | |
| 187 | T | B | -1.2916 | |
| 188 | N | B | -2.4946 | |
| 189 | K | B | -1.7701 | |
| 190 | V | B | -0.5411 | |
| 191 | N | B | -1.6632 | |
| 192 | S | B | -1.4016 | |
| 193 | V | B | 0.0000 | |
| 194 | I | B | 0.1968 | |
| 195 | E | B | -1.7192 | |
| 196 | L | B | -0.7390 | |
| 197 | T | B | 0.0000 | |
| 198 | L | B | 0.0000 | |
| 199 | N | B | -1.9705 | |
| 200 | H | B | -2.4961 | |
| 201 | Q | B | -2.8406 | |
| 202 | T | B | 0.0000 | |
| 203 | P | B | 0.0000 | |
| 204 | F | B | 0.0000 | |
| 205 | V | B | 0.6550 | |
| 206 | N | B | -1.0507 | |
| 207 | L | B | -0.6934 | |
| 208 | Q | B | -1.7869 | |
| 209 | N | B | -2.6008 | |
| 210 | D | B | -2.5384 | |
| 211 | V | B | 0.0000 | |
| 212 | E | B | 0.0000 | |
| 213 | D | B | -2.2053 | |
| 214 | D | B | -0.8596 | |
| 215 | I | B | 0.8855 | |
| 216 | F | B | 0.0000 | |
| 217 | D | B | -1.4191 | |
| 218 | E | B | -1.4400 | |
| 219 | T | B | -1.5709 | |
| 220 | E | B | -1.7855 | |
| 221 | K | B | -1.2482 | |
| 222 | F | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | D | B | -0.9136 | |
| 225 | V | B | 0.0000 | |
| 226 | C | B | 0.0000 | |
| 227 | Y | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | V | B | 0.0000 | |
| 230 | L | B | 0.0000 | |
| 231 | M | B | 0.0000 | |
| 232 | Q | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | W | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | V | B | 0.0000 | |
| 237 | T | B | 0.0000 | |
| 238 | C | B | -0.0086 | |
| 239 | K | B | 0.0000 | |
| 240 | C | B | -0.2410 | |
| 241 | M | B | -0.1713 | |
| 242 | T | B | -0.3995 | |
| 243 | A | B | -0.8405 | |
| 244 | P | B | -1.4781 | |
| 245 | D | B | -2.3997 | |
| 246 | Q | B | -1.7452 | |
| 247 | P | B | -0.7174 | |
| 248 | P | B | -0.3323 | |
| 249 | V | B | 0.9260 | |
| 250 | S | B | -0.0343 | |
| 251 | V | B | 0.0000 | |
| 252 | A | B | -0.4333 | |
| 253 | K | B | -1.5407 | |
| 254 | R | B | -1.2277 | |
| 255 | M | B | -0.8802 | |
| 256 | A | B | -1.4196 | |
| 257 | K | B | -1.7539 | |
| 258 | Y | B | 0.0000 | |
| 259 | Q | B | -1.5860 | |
| 260 | Q | B | -2.0269 | |
| 261 | Q | B | -1.9025 | |
| 262 | G | B | -1.5836 | |
| 263 | R | B | -1.2332 | |
| 264 | I | B | 0.0000 | |
| 265 | N | B | -0.7241 | |
| 266 | A | B | -0.0714 | |
| 267 | C | B | 0.4987 | |
| 268 | R | B | -0.4495 | |
| 269 | Y | B | 0.0000 | |
| 270 | V | B | 0.4271 | |
| 271 | L | B | 0.0000 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | -0.5611 | |
| 274 | E | B | 0.0000 | |
| 275 | A | B | 0.0000 | |
| 276 | Q | B | -0.5478 | |
| 277 | R | B | -0.8563 | |
| 278 | L | B | -0.4234 | |
| 279 | I | B | 0.0000 | |
| 280 | Q | B | 0.0000 | |
| 281 | N | B | -1.3328 | |
| 282 | A | B | 0.0000 | |
| 283 | I | B | 0.0000 | |
| 284 | R | B | -1.3158 | |
| 285 | K | B | -2.3747 | |
| 286 | S | B | 0.0000 | |
| 287 | M | B | -0.8672 | |
| 288 | V | B | 0.0000 | |
| 289 | V | B | 0.0000 | |
| 290 | R | B | -0.6199 | |
| 291 | H | B | -0.3029 | |
| 292 | F | B | 0.0000 | |
| 293 | M | B | 0.0000 | |
| 294 | T | B | 0.0000 | |
| 295 | Y | B | 0.2118 | |
| 296 | E | B | 0.0000 | |
| 297 | L | B | 0.0000 | |
| 298 | Q | B | -0.1597 | |
| 299 | L | B | 0.0000 | |
| 300 | S | B | 0.0000 | |
| 301 | Q | B | -0.8135 | |
| 302 | S | B | -1.2687 | |
| 303 | R | B | -2.3321 | |
| 304 | S | B | -0.8595 | |
| 305 | L | B | 0.0000 | |
| 306 | L | B | -0.3300 | |
| 307 | A | B | -0.5002 | |
| 308 | N | B | -0.8663 | |
| 309 | R | B | -0.6653 | |
| 310 | Y | B | 0.0000 | |
| 311 | Y | B | 0.0000 | |
| 312 | A | B | 0.0000 | |
| 313 | M | B | 0.0000 | |
| 314 | V | B | 0.0000 | |
| 315 | G | B | 0.0000 | |
| 316 | D | B | 0.0000 | |
| 317 | I | B | 0.0000 | |
| 318 | G | B | 0.0000 | |
| 319 | K | B | -1.7264 | |
| 320 | Y | B | -0.6062 | |
| 321 | I | B | 0.0000 | |
| 322 | E | B | -1.0098 | |
| 323 | H | B | -0.8061 | |
| 324 | S | B | -0.6658 | |
| 325 | G | B | -0.4193 | |
| 326 | M | B | 0.0000 | |
| 327 | G | B | -0.2434 | |
| 328 | G | B | 0.0000 | |
| 329 | F | B | 0.0000 | |
| 330 | F | B | -0.1316 | |
| 331 | L | B | -0.1880 | |
| 332 | T | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | K | B | -1.2406 | |
| 335 | Y | B | 0.0000 | |
| 336 | G | B | 0.0000 | |
| 337 | L | B | 0.0000 | |
| 338 | G | B | 0.0000 | |
| 339 | T | B | 0.0000 | |
| 340 | R | B | -0.6388 | |
| 341 | W | B | 0.0000 | |
| 342 | P | B | -0.2704 | |
| 343 | T | B | 0.0462 | |
| 344 | L | B | 0.0000 | |
| 345 | A | B | 0.2527 | |
| 346 | L | B | 0.6429 | |
| 347 | A | B | 0.2893 | |
| 348 | A | B | 0.2199 | |
| 349 | F | B | 0.0000 | |
| 350 | S | B | -0.2731 | |
| 351 | G | B | -0.5759 | |
| 352 | E | B | -0.7244 | |
| 353 | L | B | -0.3184 | |
| 354 | Q | B | -0.7318 | |
| 355 | K | B | -0.9446 | |
| 356 | L | B | 0.0000 | |
| 357 | K | B | -0.2000 | |
| 358 | A | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | M | B | 0.0000 | |
| 361 | L | B | 0.0199 | |
| 362 | H | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | Q | B | -0.4331 | |
| 365 | S | B | -0.6534 | |
| 366 | L | B | -0.4429 | |
| 367 | G | B | -0.2880 | |
| 368 | P | B | -0.5578 | |
| 369 | M | B | 0.0196 | |
| 370 | A | B | 0.0000 | |
| 371 | K | B | -0.7162 | |
| 372 | Y | B | 0.0000 | |
| 373 | M | B | 0.0000 | |
| 374 | A | B | -0.7755 | |
| 375 | L | B | 0.0000 | |
| 376 | L | B | -0.7037 | |
| 377 | E | B | -1.7019 | |
| 378 | S | B | -1.0789 | |
| 379 | P | B | -0.8340 | |
| 380 | K | B | -1.0847 | |
| 381 | L | B | -0.3779 | |
| 382 | M | B | 0.1303 | |
| 383 | D | B | -0.7414 | |
| 384 | F | B | 0.0000 | |
| 385 | V | B | 0.0524 | |
| 386 | P | B | 0.0000 | |
| 387 | S | B | -0.5014 | |
| 388 | E | B | -1.0171 | |
| 389 | Y | B | 0.0000 | |
| 390 | P | B | -0.3012 | |
| 391 | L | B | -0.0906 | |
| 392 | V | B | 0.0000 | |
| 393 | Y | B | 0.0000 | |
| 394 | S | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | A | B | 0.0000 | |
| 397 | M | B | 0.0000 | |
| 398 | G | B | 0.0000 | |
| 399 | I | B | 0.0000 | |
| 400 | G | B | 0.0000 | |
| 401 | T | B | -0.5943 | |
| 402 | V | B | -0.5096 | |
| 403 | L | B | 0.0000 | |
| 404 | D | B | -0.7478 | |
| 405 | T | B | -1.2888 | |
| 406 | N | B | -1.9385 | |
| 407 | M | B | 0.0000 | |
| 408 | R | B | -2.6901 | |
| 409 | N | B | -2.3013 | |
| 410 | Y | B | -1.1938 | |
| 411 | A | B | -0.7106 | |
| 412 | Y | B | -0.7403 | |
| 413 | G | B | -0.7030 | |
| 414 | R | B | -1.2791 | |
| 415 | S | B | -0.7603 | |
| 416 | Y | B | -0.5009 | |
| 417 | L | B | 0.0000 | |
| 418 | N | B | -0.7855 | |
| 419 | P | B | -0.8049 | |
| 420 | Q | B | -1.2983 | |
| 421 | Y | B | -0.5805 | |
| 422 | F | B | -0.5248 | |
| 423 | Q | B | -1.1571 | |
| 424 | L | B | -0.7984 | |
| 425 | G | B | 0.0000 | |
| 426 | V | B | -1.2872 | |
| 427 | E | B | -2.3612 | |
| 428 | T | B | 0.0000 | |
| 429 | A | B | 0.0000 | |
| 430 | R | B | -3.1227 | |
| 431 | K | B | -3.1041 | |
| 432 | Q | B | -1.8563 | |
| 433 | Q | B | -1.5057 | |
| 434 | G | B | -0.9785 | |
| 435 | A | B | -0.8837 | |
| 436 | V | B | -0.7576 | |
| 437 | D | B | -2.0329 | |
| 438 | N | B | -3.1222 | |
| 439 | R | B | -3.6671 | |
| 440 | T | B | -2.6618 | |
| 441 | A | B | 0.0000 | |
| 442 | E | B | -3.8348 | |
| 443 | D | B | -3.5905 | |
| 444 | L | B | -2.1880 | |
| 445 | G | B | -2.4601 | |
| 446 | M | B | -1.4528 | |
| 447 | T | B | -0.8103 | |
| 448 | A | B | -0.5656 | |
| 449 | A | B | -0.8334 | |
| 450 | D | B | -1.4192 | |
| 451 | K | B | -1.4315 | |
| 452 | A | B | -1.2080 | |
| 453 | D | B | -2.0998 | |
| 454 | L | B | 0.0000 | |
| 455 | T | B | -0.9854 | |
| 456 | A | B | -1.1272 | |
| 457 | T | B | 0.0000 | |
| 458 | I | B | -0.6692 | |
| 459 | S | B | -0.9038 | |
| 460 | K | B | -1.1815 | |
| 461 | L | B | 0.0000 | |
| 462 | S | B | -0.1258 | |
| 463 | L | B | 1.1623 | |
| 464 | S | B | 0.3586 | |
| 465 | Q | B | 0.1835 | |
| 466 | L | B | 0.8983 | |
| 467 | P | B | -0.7465 | |
| 468 | R | B | -2.4060 | |
| 469 | G | B | -2.4817 | |
| 470 | R | B | -2.7148 | |
| 471 | Q | B | -2.0457 | |
| 472 | P | B | -0.7772 | |
| 473 | I | B | 0.6443 | |
| 474 | S | B | -0.2728 | |
| 475 | D | B | -0.8909 | |
| 476 | P | B | -0.2461 | |
| 477 | F | B | 0.3957 | |
| 478 | A | B | -0.6976 | |
| 479 | G | B | -1.2557 | |
| 480 | A | B | -1.2499 | |
| 481 | N | B | -2.5913 | |
| 482 | D | B | -3.3827 | |
| 483 | R | B | -3.1341 |
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 | -0.4163 | 5.0021 | View | CSV | PDB |
| 4.5 | -0.4792 | 4.8771 | View | CSV | PDB |
| 5.0 | -0.5565 | 4.7074 | View | CSV | PDB |
| 5.5 | -0.636 | 4.5198 | View | CSV | PDB |
| 6.0 | -0.7053 | 4.3504 | View | CSV | PDB |
| 6.5 | -0.7562 | 4.3504 | View | CSV | PDB |
| 7.0 | -0.7878 | 4.3504 | View | CSV | PDB |
| 7.5 | -0.8052 | 4.3503 | View | CSV | PDB |
| 8.0 | -0.8131 | 4.3502 | View | CSV | PDB |
| 8.5 | -0.8126 | 4.3497 | View | CSV | PDB |
| 9.0 | -0.8021 | 4.3482 | 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