| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGA NDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDR ETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLN LPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH (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 (00:20:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e817b4022e51146/tmp/folded.pdb (00:20:04)
[INFO] Main: Simulation completed successfully. (00:27:14)
|
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 | 0.0816 | |
| 2 | S | A | 0.7516 | |
| 3 | V | A | 2.1661 | |
| 4 | L | A | 1.8214 | |
| 5 | K | A | -0.0423 | |
| 6 | T | A | 0.6622 | |
| 7 | F | A | 1.2602 | |
| 8 | E | A | -0.1652 | |
| 9 | R | A | -0.9123 | |
| 10 | F | A | 0.8020 | |
| 11 | T | A | -0.4334 | |
| 12 | I | A | -0.5746 | |
| 13 | Q | A | -1.6700 | |
| 14 | Q | A | -2.0111 | |
| 15 | E | A | -1.7666 | |
| 16 | L | A | -1.3998 | |
| 17 | Q | A | -2.9808 | |
| 18 | E | A | -3.6467 | |
| 19 | Q | A | -3.2392 | |
| 20 | S | A | -2.9655 | |
| 21 | E | A | -3.1824 | |
| 22 | D | A | -2.9245 | |
| 23 | T | A | -1.8279 | |
| 24 | P | A | 0.0859 | |
| 25 | I | A | 1.3718 | |
| 26 | P | A | 0.9029 | |
| 27 | L | A | 1.2366 | |
| 28 | E | A | -0.8043 | |
| 29 | T | A | -0.2755 | |
| 30 | I | A | 0.6083 | |
| 31 | R | A | -1.4972 | |
| 32 | P | A | -0.9606 | |
| 33 | T | A | -0.9101 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.0107 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.2281 | |
| 41 | N | A | -2.5311 | |
| 42 | N | A | -2.2238 | |
| 43 | D | A | -1.6838 | |
| 44 | P | A | -0.8528 | |
| 45 | V | A | 0.2955 | |
| 46 | V | A | -0.2648 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.0933 | |
| 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 | -0.9245 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -1.9647 | |
| 62 | T | A | -1.4996 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1428 | |
| 65 | E | A | -3.3343 | |
| 66 | G | A | -2.1955 | |
| 67 | H | A | -1.7447 | |
| 68 | R | A | -1.7783 | |
| 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 | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | -1.5315 | |
| 82 | A | A | -1.2178 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.2023 | |
| 85 | N | A | -1.3309 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.4936 | |
| 89 | L | A | -0.5836 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.5116 | |
| 92 | H | A | -0.9644 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.1441 | |
| 95 | E | A | -1.2013 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.8613 | |
| 98 | I | A | -1.0193 | |
| 99 | D | A | -1.2866 | |
| 100 | R | A | -1.5069 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.4144 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7772 | |
| 107 | E | A | -1.9450 | |
| 108 | N | A | -2.4268 | |
| 109 | N | A | -2.5148 | |
| 110 | S | A | -1.8244 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2284 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0832 | |
| 115 | P | A | -0.3525 | |
| 116 | D | A | -0.7797 | |
| 117 | A | A | -0.9005 | |
| 118 | R | A | -1.9304 | |
| 119 | T | A | -1.1448 | |
| 120 | S | A | -0.7924 | |
| 121 | T | A | -0.8298 | |
| 122 | M | A | -0.6871 | |
| 123 | S | A | -1.3254 | |
| 124 | R | A | -2.1074 | |
| 125 | G | A | -1.5207 | |
| 126 | E | A | -1.2948 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3933 | |
| 129 | A | A | -0.5961 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8572 | |
| 132 | A | A | -0.7996 | |
| 133 | L | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4640 | |
| 136 | D | A | -1.9927 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.1542 | |
| 139 | D | A | -0.9092 | |
| 140 | E | A | -0.6352 | |
| 141 | L | A | -0.0430 | |
| 142 | K | A | -1.8403 | |
| 143 | S | A | -1.0413 | |
| 144 | T | A | -0.8495 | |
| 145 | Q | A | -1.6618 | |
| 146 | N | A | -2.3752 | |
| 147 | A | A | -1.6236 | |
| 148 | I | A | -1.1241 | |
| 149 | D | A | -2.7632 | |
| 150 | K | A | -3.0887 | |
| 151 | I | A | -1.5506 | |
| 152 | T | A | -1.4836 | |
| 153 | N | A | -2.7204 | |
| 154 | K | A | -2.0948 | |
| 155 | V | A | -0.5682 | |
| 156 | N | A | -1.4284 | |
| 157 | S | A | -1.2155 | |
| 158 | V | A | 0.4596 | |
| 159 | I | A | 0.8900 | |
| 160 | E | A | -1.3119 | |
| 161 | G | A | -0.7044 | |
| 162 | S | A | 0.2846 | |
| 163 | G | A | 0.0237 | |
| 164 | Y | A | 1.1064 | |
| 165 | A | A | 0.8420 | |
| 166 | A | A | 0.5911 | |
| 167 | D | A | -0.7666 | |
| 168 | L | A | -0.0965 | |
| 169 | K | A | -2.0313 | |
| 170 | S | A | -1.5393 | |
| 171 | T | A | -0.8198 | |
| 172 | Q | A | -2.2027 | |
| 173 | N | A | -2.5127 | |
| 174 | A | A | -1.4889 | |
| 175 | I | A | -1.0762 | |
| 176 | D | A | -2.9444 | |
| 177 | K | A | -3.2212 | |
| 178 | I | A | -1.8345 | |
| 179 | T | A | -2.0287 | |
| 180 | N | A | -2.9585 | |
| 181 | K | A | -2.7986 | |
| 182 | V | A | 0.0000 | |
| 183 | N | A | -2.4860 | |
| 184 | S | A | -1.5528 | |
| 185 | V | A | -0.5170 | |
| 186 | I | A | -0.4072 | |
| 187 | E | A | -1.4524 | |
| 188 | L | A | 0.1464 | |
| 189 | T | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | N | A | -0.5103 | |
| 192 | H | A | -1.2489 | |
| 193 | Q | A | -1.6691 | |
| 194 | T | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | V | A | 0.2572 | |
| 198 | N | A | -0.4443 | |
| 199 | L | A | -0.3706 | |
| 200 | Q | A | -1.5321 | |
| 201 | N | A | -2.4378 | |
| 202 | D | A | -2.4859 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -1.5408 | |
| 205 | D | A | -2.3038 | |
| 206 | D | A | -0.8613 | |
| 207 | I | A | 0.8546 | |
| 208 | F | A | 0.0000 | |
| 209 | D | A | -1.3974 | |
| 210 | E | A | -1.5928 | |
| 211 | T | A | -1.5881 | |
| 212 | E | A | -1.7987 | |
| 213 | K | A | -1.4223 | |
| 214 | F | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | D | A | -1.0149 | |
| 217 | V | A | 0.0000 | |
| 218 | C | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | Q | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | W | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | C | A | 0.1178 | |
| 231 | K | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | M | A | -0.3134 | |
| 234 | T | A | -0.4597 | |
| 235 | A | A | -0.9695 | |
| 236 | P | A | -1.6432 | |
| 237 | D | A | -2.5103 | |
| 238 | Q | A | -2.0145 | |
| 239 | P | A | -0.8177 | |
| 240 | P | A | -0.4072 | |
| 241 | V | A | 0.8401 | |
| 242 | S | A | -0.1618 | |
| 243 | V | A | -0.1718 | |
| 244 | A | A | -0.4664 | |
| 245 | K | A | -1.6222 | |
| 246 | R | A | -1.3768 | |
| 247 | M | A | 0.0000 | |
| 248 | A | A | -1.5121 | |
| 249 | K | A | -1.7881 | |
| 250 | Y | A | 0.0000 | |
| 251 | Q | A | -1.6042 | |
| 252 | Q | A | -2.2816 | |
| 253 | Q | A | -1.9382 | |
| 254 | G | A | -1.6025 | |
| 255 | R | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | N | A | -0.6223 | |
| 258 | A | A | -0.1286 | |
| 259 | C | A | 0.3967 | |
| 260 | R | A | -0.4796 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.1874 | |
| 263 | L | A | 0.0000 | |
| 264 | Q | A | 0.0000 | |
| 265 | P | A | -0.6230 | |
| 266 | E | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | Q | A | -0.8278 | |
| 269 | R | A | -1.2182 | |
| 270 | L | A | -0.6611 | |
| 271 | I | A | 0.0000 | |
| 272 | Q | A | -1.1811 | |
| 273 | N | A | -1.6858 | |
| 274 | A | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | R | A | -1.7769 | |
| 277 | K | A | -2.4945 | |
| 278 | S | A | 0.0000 | |
| 279 | M | A | -0.7451 | |
| 280 | V | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | H | A | -0.0741 | |
| 284 | F | A | 0.0000 | |
| 285 | M | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | Y | A | 0.2349 | |
| 288 | E | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | Q | A | 0.0233 | |
| 291 | L | A | 0.0000 | |
| 292 | S | A | -0.0949 | |
| 293 | Q | A | -0.6146 | |
| 294 | S | A | -1.0306 | |
| 295 | R | A | -2.1401 | |
| 296 | S | A | -0.7030 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | -0.3505 | |
| 299 | A | A | -0.4608 | |
| 300 | N | A | -0.8111 | |
| 301 | R | A | -0.4654 | |
| 302 | Y | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | G | A | -0.2055 | |
| 308 | D | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | K | A | -0.3181 | |
| 312 | Y | A | 0.1963 | |
| 313 | I | A | 0.0000 | |
| 314 | E | A | -0.4509 | |
| 315 | H | A | -0.5131 | |
| 316 | S | A | -0.4344 | |
| 317 | G | A | -0.4025 | |
| 318 | M | A | 0.0000 | |
| 319 | G | A | -0.2340 | |
| 320 | G | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | F | A | 0.0791 | |
| 323 | L | A | 0.1204 | |
| 324 | T | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | K | A | -0.4908 | |
| 327 | Y | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | -0.4478 | |
| 333 | W | A | 0.0000 | |
| 334 | P | A | -0.2389 | |
| 335 | T | A | 0.0817 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.2586 | |
| 338 | L | A | 0.6272 | |
| 339 | A | A | 0.2847 | |
| 340 | A | A | 0.2122 | |
| 341 | F | A | 0.0000 | |
| 342 | S | A | -0.2474 | |
| 343 | G | A | -0.5000 | |
| 344 | E | A | -0.6742 | |
| 345 | L | A | -0.2811 | |
| 346 | Q | A | -0.4169 | |
| 347 | K | A | -0.9520 | |
| 348 | L | A | 0.0000 | |
| 349 | K | A | -0.1273 | |
| 350 | A | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | L | A | 0.1760 | |
| 354 | H | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | Q | A | -0.3759 | |
| 357 | S | A | -0.5625 | |
| 358 | L | A | -0.3764 | |
| 359 | G | A | -0.2660 | |
| 360 | P | A | -0.4800 | |
| 361 | M | A | -0.0123 | |
| 362 | A | A | 0.0000 | |
| 363 | K | A | -0.5350 | |
| 364 | Y | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | A | A | -0.7633 | |
| 367 | L | A | 0.0000 | |
| 368 | L | A | -0.7137 | |
| 369 | E | A | -1.6646 | |
| 370 | S | A | -1.0395 | |
| 371 | P | A | -0.7617 | |
| 372 | K | A | -0.9233 | |
| 373 | L | A | -0.2985 | |
| 374 | M | A | 0.1969 | |
| 375 | D | A | -0.6328 | |
| 376 | F | A | 0.0000 | |
| 377 | V | A | 0.0962 | |
| 378 | P | A | 0.0000 | |
| 379 | S | A | -0.4491 | |
| 380 | E | A | -0.9611 | |
| 381 | Y | A | 0.0000 | |
| 382 | P | A | -0.2399 | |
| 383 | L | A | -0.0385 | |
| 384 | V | A | 0.0000 | |
| 385 | Y | A | 0.0000 | |
| 386 | S | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | T | A | -0.4751 | |
| 394 | V | A | -0.5831 | |
| 395 | L | A | 0.0000 | |
| 396 | D | A | -0.7749 | |
| 397 | T | A | -1.1928 | |
| 398 | N | A | -1.6775 | |
| 399 | M | A | 0.0000 | |
| 400 | R | A | -2.4545 | |
| 401 | N | A | -2.0373 | |
| 402 | Y | A | -0.7533 | |
| 403 | A | A | -0.1099 | |
| 404 | Y | A | 0.4982 | |
| 405 | G | A | -0.2223 | |
| 406 | R | A | -0.7974 | |
| 407 | S | A | -0.5206 | |
| 408 | Y | A | -0.2352 | |
| 409 | L | A | -0.1977 | |
| 410 | N | A | -0.7607 | |
| 411 | P | A | -1.0032 | |
| 412 | Q | A | -1.4644 | |
| 413 | Y | A | -0.6959 | |
| 414 | F | A | -0.7138 | |
| 415 | Q | A | -1.5715 | |
| 416 | L | A | -0.9339 | |
| 417 | G | A | 0.0000 | |
| 418 | V | A | -1.3690 | |
| 419 | E | A | -2.3109 | |
| 420 | T | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -3.0923 | |
| 423 | K | A | -3.0622 | |
| 424 | Q | A | -1.8613 | |
| 425 | Q | A | -1.6245 | |
| 426 | G | A | -1.0307 | |
| 427 | A | A | -0.8852 | |
| 428 | V | A | -0.6717 | |
| 429 | D | A | -1.8445 | |
| 430 | N | A | -3.0327 | |
| 431 | R | A | -3.5846 | |
| 432 | T | A | -2.6042 | |
| 433 | A | A | 0.0000 | |
| 434 | E | A | -3.8193 | |
| 435 | D | A | -3.5916 | |
| 436 | L | A | -2.2373 | |
| 437 | G | A | -2.1477 | |
| 438 | M | A | -1.4745 | |
| 439 | T | A | -0.8307 | |
| 440 | A | A | -0.5769 | |
| 441 | A | A | -0.8500 | |
| 442 | D | A | -1.4601 | |
| 443 | K | A | -1.4287 | |
| 444 | A | A | -1.2077 | |
| 445 | D | A | -2.1429 | |
| 446 | L | A | 0.0000 | |
| 447 | T | A | -1.0935 | |
| 448 | A | A | -1.2304 | |
| 449 | T | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | S | A | -1.0245 | |
| 452 | K | A | -1.4341 | |
| 453 | L | A | -0.8142 | |
| 454 | S | A | -0.3140 | |
| 455 | L | A | 0.9494 | |
| 456 | S | A | 0.0997 | |
| 457 | Q | A | -0.3414 | |
| 458 | L | A | 0.6577 | |
| 459 | P | A | -1.1863 | |
| 460 | R | A | -2.5282 | |
| 461 | G | A | -2.4852 | |
| 462 | R | A | -2.7281 | |
| 463 | Q | A | -1.9553 | |
| 464 | P | A | -0.7544 | |
| 465 | I | A | 0.6247 | |
| 466 | S | A | -0.2816 | |
| 467 | D | A | -0.9224 | |
| 468 | P | A | -0.0209 | |
| 469 | F | A | 1.0465 | |
| 470 | A | A | 0.0745 | |
| 471 | G | A | -0.1633 | |
| 472 | A | A | 0.1922 | |
| 1 | S | B | -0.5872 | |
| 2 | S | B | -0.7188 | |
| 3 | V | B | -0.5658 | |
| 4 | L | B | -0.8797 | |
| 5 | K | B | -2.1770 | |
| 6 | T | B | -1.4035 | |
| 7 | F | B | -1.1436 | |
| 8 | E | B | -1.9951 | |
| 9 | R | B | -2.5612 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | -1.3074 | |
| 12 | I | B | -1.0761 | |
| 13 | Q | B | -1.4993 | |
| 14 | Q | B | -1.2256 | |
| 15 | E | B | -0.7337 | |
| 16 | L | B | -0.3238 | |
| 17 | Q | B | -1.8252 | |
| 18 | E | B | -1.6823 | |
| 19 | Q | B | -1.9095 | |
| 20 | S | B | -2.2618 | |
| 21 | E | B | -2.9760 | |
| 22 | D | B | -2.7533 | |
| 23 | T | B | -1.6423 | |
| 24 | P | B | -0.0941 | |
| 25 | I | B | 1.0346 | |
| 26 | P | B | 0.3645 | |
| 27 | L | B | -0.2714 | |
| 28 | E | B | -1.7782 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -2.4188 | |
| 32 | P | B | 0.0000 | |
| 33 | T | B | -1.1770 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.3570 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.2921 | |
| 41 | N | B | -2.6881 | |
| 42 | N | B | -2.3965 | |
| 43 | D | B | -2.1451 | |
| 44 | P | B | -1.6619 | |
| 45 | V | B | -0.3647 | |
| 46 | V | B | -0.4982 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.1110 | |
| 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 | -0.9134 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -1.9554 | |
| 62 | T | B | -1.5396 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -2.4581 | |
| 65 | E | B | -2.4801 | |
| 66 | G | B | 0.0000 | |
| 67 | H | B | -1.3078 | |
| 68 | R | B | -1.3716 | |
| 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 | -0.2411 | |
| 80 | S | B | -0.3804 | |
| 81 | A | B | -0.8312 | |
| 82 | A | B | -1.0519 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.3804 | |
| 85 | N | B | -1.7272 | |
| 86 | H | B | -1.0413 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.7854 | |
| 89 | L | B | -0.7197 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.4835 | |
| 92 | H | B | -0.9073 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.0776 | |
| 95 | E | B | -1.1994 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.1089 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.6534 | |
| 100 | R | B | -1.7652 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.4259 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7708 | |
| 107 | E | B | -1.8957 | |
| 108 | N | B | -2.3880 | |
| 109 | N | B | -2.4457 | |
| 110 | S | B | -1.7323 | |
| 111 | F | B | -1.0614 | |
| 112 | R | B | -1.1984 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0483 | |
| 115 | P | B | -0.4069 | |
| 116 | D | B | -0.8020 | |
| 117 | A | B | -0.9043 | |
| 118 | R | B | -1.9311 | |
| 119 | T | B | -1.1422 | |
| 120 | S | B | -0.8180 | |
| 121 | T | B | -0.8254 | |
| 122 | M | B | -0.6731 | |
| 123 | S | B | -1.2643 | |
| 124 | R | B | -2.0615 | |
| 125 | G | B | -1.4413 | |
| 126 | E | B | -1.1145 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3568 | |
| 129 | A | B | -0.5544 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.8217 | |
| 132 | A | B | -0.8024 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.4806 | |
| 136 | D | B | -2.0714 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -1.4450 | |
| 139 | D | B | -1.2899 | |
| 140 | E | B | -1.2108 | |
| 141 | L | B | -0.4011 | |
| 142 | K | B | -1.7555 | |
| 143 | S | B | -1.0854 | |
| 144 | T | B | -1.1780 | |
| 145 | Q | B | -1.8812 | |
| 146 | N | B | -2.0434 | |
| 147 | A | B | -1.5558 | |
| 148 | I | B | -0.8348 | |
| 149 | D | B | -2.2739 | |
| 150 | K | B | -2.9015 | |
| 151 | I | B | -1.6187 | |
| 152 | T | B | -1.5955 | |
| 153 | N | B | -2.5846 | |
| 154 | K | B | -2.0600 | |
| 155 | V | B | -0.6951 | |
| 156 | N | B | -1.4109 | |
| 157 | S | B | -0.9457 | |
| 158 | V | B | 0.4889 | |
| 159 | I | B | 0.8077 | |
| 160 | E | B | -1.3352 | |
| 161 | G | B | -0.5459 | |
| 162 | S | B | 0.2340 | |
| 163 | G | B | 0.0504 | |
| 164 | Y | B | 0.9161 | |
| 165 | A | B | 0.7542 | |
| 166 | A | B | 0.4013 | |
| 167 | D | B | -1.1686 | |
| 168 | L | B | -0.2285 | |
| 169 | K | B | -2.0910 | |
| 170 | S | B | -1.6423 | |
| 171 | T | B | -0.7786 | |
| 172 | Q | B | -1.9697 | |
| 173 | N | B | -2.5568 | |
| 174 | A | B | -1.5061 | |
| 175 | I | B | -1.2047 | |
| 176 | D | B | -2.9260 | |
| 177 | K | B | -3.2782 | |
| 178 | I | B | -2.0069 | |
| 179 | T | B | -2.0674 | |
| 180 | N | B | -3.0663 | |
| 181 | K | B | -2.7897 | |
| 182 | V | B | 0.0000 | |
| 183 | N | B | -2.3671 | |
| 184 | S | B | -1.6362 | |
| 185 | V | B | -0.8447 | |
| 186 | I | B | -0.9392 | |
| 187 | E | B | -1.6531 | |
| 188 | L | B | -0.4334 | |
| 189 | T | B | -0.7189 | |
| 190 | L | B | 0.0000 | |
| 191 | N | B | -1.4051 | |
| 192 | H | B | -1.4931 | |
| 193 | Q | B | -1.7531 | |
| 194 | T | B | 0.0000 | |
| 195 | P | B | 0.0000 | |
| 196 | F | B | 0.0000 | |
| 197 | V | B | 0.2583 | |
| 198 | N | B | -0.2965 | |
| 199 | L | B | -0.2080 | |
| 200 | Q | B | -1.1972 | |
| 201 | N | B | -1.7194 | |
| 202 | D | B | -2.0679 | |
| 203 | V | B | 0.0000 | |
| 204 | E | B | 0.0000 | |
| 205 | D | B | -2.0469 | |
| 206 | D | B | -0.6180 | |
| 207 | I | B | 0.6475 | |
| 208 | F | B | 0.0000 | |
| 209 | D | B | -2.4060 | |
| 210 | E | B | -3.1535 | |
| 211 | T | B | -2.7036 | |
| 212 | E | B | -3.1285 | |
| 213 | K | B | -2.5395 | |
| 214 | F | B | 0.0000 | |
| 215 | L | B | -1.2433 | |
| 216 | D | B | -1.5855 | |
| 217 | V | B | 0.0000 | |
| 218 | C | B | 0.0000 | |
| 219 | Y | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | V | B | 0.0000 | |
| 222 | L | B | 0.0000 | |
| 223 | M | B | 0.0000 | |
| 224 | Q | B | 0.0000 | |
| 225 | A | B | 0.0000 | |
| 226 | W | B | 0.0000 | |
| 227 | I | B | 0.0000 | |
| 228 | V | B | 0.0000 | |
| 229 | T | B | 0.0000 | |
| 230 | C | B | 0.0017 | |
| 231 | K | B | 0.0000 | |
| 232 | C | B | 0.0000 | |
| 233 | M | B | -0.1638 | |
| 234 | T | B | -0.5574 | |
| 235 | A | B | -1.2602 | |
| 236 | P | B | -1.7928 | |
| 237 | D | B | -2.6255 | |
| 238 | Q | B | -1.9416 | |
| 239 | P | B | -0.8424 | |
| 240 | P | B | -0.3845 | |
| 241 | V | B | 0.9211 | |
| 242 | S | B | -0.0351 | |
| 243 | V | B | 0.0000 | |
| 244 | A | B | -0.4840 | |
| 245 | K | B | -1.6427 | |
| 246 | R | B | -1.3631 | |
| 247 | M | B | 0.0000 | |
| 248 | A | B | -1.6695 | |
| 249 | K | B | -2.2978 | |
| 250 | Y | B | 0.0000 | |
| 251 | Q | B | -2.1857 | |
| 252 | Q | B | -2.5487 | |
| 253 | Q | B | -2.5055 | |
| 254 | G | B | -2.2816 | |
| 255 | R | B | -2.5034 | |
| 256 | I | B | 0.0000 | |
| 257 | N | B | -1.0574 | |
| 258 | A | B | -0.2951 | |
| 259 | C | B | 0.5499 | |
| 260 | R | B | -0.2449 | |
| 261 | Y | B | 0.0000 | |
| 262 | V | B | 0.2132 | |
| 263 | L | B | 0.0000 | |
| 264 | Q | B | 0.0000 | |
| 265 | P | B | -0.6605 | |
| 266 | E | B | 0.0000 | |
| 267 | A | B | 0.0000 | |
| 268 | Q | B | -0.6980 | |
| 269 | R | B | -0.9945 | |
| 270 | L | B | -0.4980 | |
| 271 | I | B | 0.0000 | |
| 272 | Q | B | -0.8646 | |
| 273 | N | B | -1.2347 | |
| 274 | A | B | 0.0000 | |
| 275 | I | B | 0.0000 | |
| 276 | R | B | -1.2262 | |
| 277 | K | B | -1.9478 | |
| 278 | S | B | 0.0000 | |
| 279 | M | B | 0.0000 | |
| 280 | V | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | R | B | 0.0000 | |
| 283 | H | B | 0.0000 | |
| 284 | F | B | 0.0000 | |
| 285 | M | B | 0.0000 | |
| 286 | T | B | 0.0000 | |
| 287 | Y | B | 0.1589 | |
| 288 | E | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | Q | B | -0.5493 | |
| 291 | L | B | -0.0963 | |
| 292 | S | B | -0.6951 | |
| 293 | Q | B | -1.0212 | |
| 294 | S | B | -0.8787 | |
| 295 | R | B | -1.4770 | |
| 296 | S | B | -0.0691 | |
| 297 | L | B | 1.5690 | |
| 298 | L | B | 1.5186 | |
| 299 | A | B | -0.0976 | |
| 300 | N | B | -1.5054 | |
| 301 | R | B | -2.2522 | |
| 302 | Y | B | 0.0000 | |
| 303 | Y | B | -0.7115 | |
| 304 | A | B | -0.7450 | |
| 305 | M | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | G | B | -1.1500 | |
| 308 | D | B | -1.4175 | |
| 309 | I | B | 0.0000 | |
| 310 | G | B | 0.0000 | |
| 311 | K | B | -1.8511 | |
| 312 | Y | B | -0.5066 | |
| 313 | I | B | 0.0000 | |
| 314 | E | B | 0.0000 | |
| 315 | H | B | -0.7775 | |
| 316 | S | B | -0.6217 | |
| 317 | G | B | -0.4699 | |
| 318 | M | B | 0.0000 | |
| 319 | G | B | -0.1350 | |
| 320 | G | B | 0.0000 | |
| 321 | F | B | 0.0000 | |
| 322 | F | B | 0.1159 | |
| 323 | L | B | -0.1261 | |
| 324 | T | B | 0.0000 | |
| 325 | L | B | -0.4314 | |
| 326 | K | B | -1.5904 | |
| 327 | Y | B | 0.0000 | |
| 328 | G | B | 0.0000 | |
| 329 | L | B | -0.7353 | |
| 330 | G | B | -1.2911 | |
| 331 | T | B | -1.2579 | |
| 332 | R | B | -2.3504 | |
| 333 | W | B | -1.0142 | |
| 334 | P | B | -1.2219 | |
| 335 | T | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | A | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | G | B | -0.5654 | |
| 344 | E | B | 0.0000 | |
| 345 | L | B | -0.2917 | |
| 346 | Q | B | -0.7070 | |
| 347 | K | B | -0.7221 | |
| 348 | L | B | 0.0000 | |
| 349 | K | B | -0.8085 | |
| 350 | A | B | 0.0000 | |
| 351 | L | B | 0.0000 | |
| 352 | M | B | 0.0804 | |
| 353 | L | B | 0.2932 | |
| 354 | H | B | 0.0000 | |
| 355 | Y | B | -0.2668 | |
| 356 | Q | B | -0.8443 | |
| 357 | S | B | -0.5565 | |
| 358 | L | B | -0.6112 | |
| 359 | G | B | -0.5853 | |
| 360 | P | B | -0.6607 | |
| 361 | M | B | -0.3556 | |
| 362 | A | B | 0.0000 | |
| 363 | K | B | -1.0927 | |
| 364 | Y | B | 0.0000 | |
| 365 | M | B | 0.0000 | |
| 366 | A | B | -0.3384 | |
| 367 | L | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | E | B | -0.4814 | |
| 370 | S | B | 0.0000 | |
| 371 | P | B | -0.1148 | |
| 372 | K | B | 0.0000 | |
| 373 | L | B | 0.2663 | |
| 374 | M | B | 0.1712 | |
| 375 | D | B | -0.0755 | |
| 376 | F | B | 0.0000 | |
| 377 | V | B | 0.2976 | |
| 378 | P | B | 0.0000 | |
| 379 | S | B | -0.5376 | |
| 380 | E | B | -0.7674 | |
| 381 | Y | B | 0.0000 | |
| 382 | P | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | Y | B | 0.0000 | |
| 386 | S | B | 0.0000 | |
| 387 | Y | B | 0.0000 | |
| 388 | A | B | 0.0000 | |
| 389 | M | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | I | B | 0.0000 | |
| 392 | G | B | 0.0000 | |
| 393 | T | B | -0.4795 | |
| 394 | V | B | -0.2324 | |
| 395 | L | B | -0.0005 | |
| 396 | D | B | -0.6097 | |
| 397 | T | B | -1.3199 | |
| 398 | N | B | -2.1659 | |
| 399 | M | B | 0.0000 | |
| 400 | R | B | -2.6447 | |
| 401 | N | B | -2.2746 | |
| 402 | Y | B | -1.0699 | |
| 403 | A | B | -0.3752 | |
| 404 | Y | B | -0.0285 | |
| 405 | G | B | -0.5118 | |
| 406 | R | B | -0.9162 | |
| 407 | S | B | -0.7457 | |
| 408 | Y | B | 0.0000 | |
| 409 | L | B | -0.2731 | |
| 410 | N | B | 0.0000 | |
| 411 | P | B | -0.0109 | |
| 412 | Q | B | -0.6587 | |
| 413 | Y | B | 0.0000 | |
| 414 | F | B | -0.0069 | |
| 415 | Q | B | -0.5509 | |
| 416 | L | B | 0.0000 | |
| 417 | G | B | 0.0000 | |
| 418 | V | B | -0.7695 | |
| 419 | E | B | -1.9548 | |
| 420 | T | B | 0.0000 | |
| 421 | A | B | 0.0000 | |
| 422 | R | B | -3.1549 | |
| 423 | K | B | -3.2447 | |
| 424 | Q | B | -2.4232 | |
| 425 | Q | B | -2.2188 | |
| 426 | G | B | -1.6572 | |
| 427 | A | B | -1.4151 | |
| 428 | V | B | -1.6907 | |
| 429 | D | B | -3.4571 | |
| 430 | N | B | -3.7189 | |
| 431 | R | B | -3.9941 | |
| 432 | T | B | -2.8181 | |
| 433 | A | B | 0.0000 | |
| 434 | E | B | -3.6695 | |
| 435 | D | B | -2.9735 | |
| 436 | L | B | -0.7345 | |
| 437 | G | B | -1.3730 | |
| 438 | M | B | -1.2311 | |
| 439 | T | B | -0.7578 | |
| 440 | A | B | -0.5643 | |
| 441 | A | B | -0.8786 | |
| 442 | D | B | -1.5385 | |
| 443 | K | B | -1.4051 | |
| 444 | A | B | -0.9888 | |
| 445 | D | B | -1.8715 | |
| 446 | L | B | -0.6662 | |
| 447 | T | B | -0.7148 | |
| 448 | A | B | -0.8369 | |
| 449 | T | B | -0.3898 | |
| 450 | I | B | -0.0624 | |
| 451 | S | B | -0.7787 | |
| 452 | K | B | -0.8138 | |
| 453 | L | B | 0.5109 | |
| 454 | S | B | 0.1050 | |
| 455 | L | B | 1.2260 | |
| 456 | S | B | 0.1112 | |
| 457 | Q | B | -0.5697 | |
| 458 | L | B | 0.5295 | |
| 459 | P | B | -1.3835 | |
| 460 | R | B | -2.6581 | |
| 461 | G | B | -2.5213 | |
| 462 | R | B | -2.8301 | |
| 463 | Q | B | -2.2376 | |
| 464 | P | B | -0.9245 | |
| 465 | I | B | 0.6753 | |
| 466 | S | B | -0.2245 | |
| 467 | D | B | -0.4655 | |
| 468 | P | B | 0.3049 | |
| 469 | F | B | 1.1548 | |
| 470 | A | B | -0.2054 | |
| 471 | G | B | -0.7518 | |
| 472 | A | B | -1.1847 | |
| 473 | N | B | -2.7439 | |
| 474 | D | B | -3.3602 | |
| 475 | R | B | -3.0529 | |
| 539 | L | B | 1.6805 | |
| 540 | P | B | 0.9379 | |
| 541 | V | B | 1.3912 | |
| 542 | P | B | -0.1484 | |
| 543 | Q | B | -0.4559 | |
| 544 | C | B | 0.0987 | |
| 545 | T | B | -0.1135 | |
| 546 | S | B | -0.3392 | |
| 547 | G | B | -0.5531 | |
| 548 | M | B | -0.7818 | |
| 549 | S | B | -1.2836 | |
| 550 | S | B | -1.7855 | |
| 551 | E | B | -3.1599 | |
| 552 | E | B | -2.8491 | |
| 553 | F | B | -1.9369 | |
| 554 | Q | B | -2.8816 | |
| 555 | H | B | -3.0787 | |
| 556 | S | B | -1.7385 | |
| 557 | M | B | -1.3460 | |
| 558 | N | B | -2.3199 | |
| 559 | Q | B | -2.0250 | |
| 560 | Y | B | -0.6791 | |
| 561 | I | B | -0.7750 | |
| 562 | R | B | -2.7762 | |
| 563 | A | B | -1.7707 | |
| 564 | M | B | -1.3098 | |
| 565 | H | B | -2.4005 | |
| 566 | E | B | -3.3642 | |
| 567 | Q | B | -2.6657 | |
| 568 | Y | B | -1.3231 | |
| 569 | R | B | -3.2878 | |
| 570 | G | B | -3.2608 | |
| 571 | S | B | -2.8668 | |
| 572 | Q | B | -3.5878 | |
| 573 | D | B | -4.4484 | |
| 574 | D | B | -4.4686 | |
| 575 | D | B | -4.0780 | |
| 576 | A | B | -3.0458 | |
| 577 | N | B | -3.1906 | |
| 578 | D | B | -2.9195 | |
| 579 | A | B | -1.2049 | |
| 580 | T | B | -0.7761 |
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 | -0.5589 | 5.359 | View | CSV | PDB |
| 4.5 | -0.6161 | 5.2283 | View | CSV | PDB |
| 5.0 | -0.6867 | 5.0997 | View | CSV | PDB |
| 5.5 | -0.7586 | 4.9769 | View | CSV | PDB |
| 6.0 | -0.8186 | 4.8514 | View | CSV | PDB |
| 6.5 | -0.8571 | 4.7252 | View | CSV | PDB |
| 7.0 | -0.8736 | 4.5992 | View | CSV | PDB |
| 7.5 | -0.8744 | 4.4744 | View | CSV | PDB |
| 8.0 | -0.8658 | 4.3534 | View | CSV | PDB |
| 8.5 | -0.8494 | 4.2432 | View | CSV | PDB |
| 9.0 | -0.8235 | 4.1567 | 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