| Chain sequence(s) |
A: SIEAELEALNAEANAQLDELLAQETPEAVQAAIELAKETRAKLKELLAKSTDPEVKARIQDLIASADALIADLEAELAAL
B: MLLWVILLVLAPVSGQFARTPRPIIFLQPPWTTVFQGERVTLTCKGFRFYSPQKTKWYHRYLGKEILRETPDNILEVQESGEYRCQAQGSPLSSPVHLDFSSASLILQAPLSVFEGDSVVLRCRAKAEVTLNNTIYKNDNVLAFLNKRTDFHIPHACLKDNGAYRCTGYKESCCPVSSNTVKIQVQEPFTRPVLRASSFQPISGNPVTLTCETQLSLERSDVPLRFRFFRDDQTLGLGWSLSPNFQITAMWSKDSGFYWCKAATMPYSVISDSPRSWIQVQIPASHPVLTLSPEKALNFEGTKVTLHCETQEDSLRTLYRFYHEGVPLRHKSVRCERGASISFSLTTENSGNYYCTADNGLGAKPSKAVSLSVTVPVSHPVLNLSSPEDLIFEGAKVTLHCEAQRGSLPILYQFHHEGAALERRSANSAGGVAISFSLTAEHSGNYYCTADNGFGPQRSKAVSLSVTVPVSHPVLTLSSAEALTFEGATVTLHCEVQRGSPQILYQFYHEDMPLWSSSTPSVGRVSFSFSLTEGHSGNYYCTADNGFGPQRSEVVSLFVTVPVSRPILTLRVPRAQAVVGDLLELHCEAPRGSPPILYWFYHEDVTLGSSSAPSGGEASFNLSLTAEHSGNYSCEANNGLVAQHSDTISLSVIVPVSRPILTFRAPRAQAVVGDLLELHCEALRGSSPILYWFYHEDVTLGKISAPSGGGASFNLSLTTEHSGIYSCEADNGLEAQRSEMVTLKVAVPVSRPVLTLRAPGTHAAVGDLLELHCEALRGSPLILYRFFHEDVTLGNRSSPSGGASLNLSLTAEHSGNYSCEADNGLGAQRSETVTLYITGLTANRSGPFATGVAGGLLSIAGLAAGALLLYCWLSRKAGRKPASDPARSPSDSDSQEPTYHNVPAWEELQPVYTNANPRGENVVYSEVRIIQEKKKHAVASDPRHLRNKGSPIIYSEVKVASTPVSGSLFLASSAPHR input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/532ac79679ffb32/tmp/folded.pdb (00:17:23)
[INFO] Main: Simulation completed successfully. (00:30:18)
|
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 | -1.0694 | |
| 2 | I | A | -1.5935 | |
| 3 | E | A | -2.2418 | |
| 4 | A | A | -1.9113 | |
| 5 | E | A | -2.5339 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -2.7535 | |
| 8 | A | A | -1.9034 | |
| 9 | L | A | -1.6870 | |
| 10 | N | A | 0.0000 | |
| 11 | A | A | -1.5217 | |
| 12 | E | A | -2.1651 | |
| 13 | A | A | 0.0000 | |
| 14 | N | A | 0.0000 | |
| 15 | A | A | -1.4861 | |
| 16 | Q | A | -1.6966 | |
| 17 | L | A | 0.0000 | |
| 18 | D | A | -1.9198 | |
| 19 | E | A | -2.5561 | |
| 20 | L | A | -1.7621 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | -1.8062 | |
| 23 | Q | A | -2.6822 | |
| 24 | E | A | -2.8067 | |
| 25 | T | A | -1.7037 | |
| 26 | P | A | -1.3472 | |
| 27 | E | A | -2.4211 | |
| 28 | A | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | Q | A | -1.7079 | |
| 31 | A | A | -1.1646 | |
| 32 | A | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | E | A | -2.0375 | |
| 35 | L | A | -1.5017 | |
| 36 | A | A | 0.0000 | |
| 37 | K | A | -2.9022 | |
| 38 | E | A | -3.2172 | |
| 39 | T | A | 0.0000 | |
| 40 | R | A | -2.7519 | |
| 41 | A | A | -2.5433 | |
| 42 | K | A | -2.8239 | |
| 43 | L | A | 0.0000 | |
| 44 | K | A | -2.9117 | |
| 45 | E | A | -3.0547 | |
| 46 | L | A | -2.2995 | |
| 47 | L | A | -1.8125 | |
| 48 | A | A | -1.5976 | |
| 49 | K | A | -2.3038 | |
| 50 | S | A | 0.0000 | |
| 51 | T | A | -1.1091 | |
| 52 | D | A | -1.7354 | |
| 53 | P | A | -1.2581 | |
| 54 | E | A | -1.5293 | |
| 55 | V | A | -1.2483 | |
| 56 | K | A | -1.8387 | |
| 57 | A | A | -1.1491 | |
| 58 | R | A | -1.0799 | |
| 59 | I | A | 0.0000 | |
| 60 | Q | A | -1.2745 | |
| 61 | D | A | -1.0436 | |
| 62 | L | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | A | A | -0.7983 | |
| 65 | S | A | -0.5982 | |
| 66 | A | A | 0.0000 | |
| 67 | D | A | -1.2081 | |
| 68 | A | A | -0.5550 | |
| 69 | L | A | 0.0000 | |
| 70 | I | A | -1.1729 | |
| 71 | A | A | -0.8954 | |
| 72 | D | A | -0.9076 | |
| 73 | L | A | 0.0000 | |
| 74 | E | A | -1.9087 | |
| 75 | A | A | -0.7704 | |
| 76 | E | A | -0.5533 | |
| 77 | L | A | -0.3334 | |
| 78 | A | A | 0.0806 | |
| 79 | A | A | 0.5503 | |
| 80 | L | A | 1.5815 | |
| 1 | M | B | 2.3816 | |
| 2 | L | B | 3.3818 | |
| 3 | L | B | 3.9653 | |
| 4 | W | B | 4.1851 | |
| 5 | V | B | 4.6717 | |
| 6 | I | B | 4.9025 | |
| 7 | L | B | 4.7572 | |
| 8 | L | B | 4.5067 | |
| 9 | V | B | 4.0446 | |
| 10 | L | B | 3.3654 | |
| 11 | A | B | 1.9542 | |
| 12 | P | B | 1.2101 | |
| 13 | V | B | 1.4948 | |
| 14 | S | B | 0.2904 | |
| 15 | G | B | -0.0396 | |
| 16 | Q | B | -0.5618 | |
| 17 | F | B | 0.6159 | |
| 18 | A | B | -0.3551 | |
| 19 | R | B | -1.6744 | |
| 20 | T | B | -1.3204 | |
| 21 | P | B | -1.2879 | |
| 22 | R | B | -1.8517 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.4839 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.5068 | |
| 27 | L | B | -0.1088 | |
| 28 | Q | B | -1.4654 | |
| 29 | P | B | -0.9833 | |
| 30 | P | B | -0.2431 | |
| 31 | W | B | -0.2127 | |
| 32 | T | B | -0.3447 | |
| 33 | T | B | -0.5680 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.4436 | |
| 37 | G | B | -2.1845 | |
| 38 | E | B | -2.3974 | |
| 39 | R | B | -3.4522 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.2496 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.1746 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -1.2167 | |
| 46 | G | B | -0.7963 | |
| 47 | F | B | 0.2262 | |
| 48 | R | B | -0.5280 | |
| 49 | F | B | 1.2188 | |
| 50 | Y | B | 1.4399 | |
| 51 | S | B | 0.2603 | |
| 52 | P | B | -0.5163 | |
| 53 | Q | B | -1.0985 | |
| 54 | K | B | -2.3840 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -1.7865 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.8175 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.4181 | |
| 61 | Y | B | -0.8881 | |
| 62 | L | B | 0.4173 | |
| 63 | G | B | -1.1440 | |
| 64 | K | B | -2.5364 | |
| 65 | E | B | -2.6568 | |
| 66 | I | B | -0.7349 | |
| 67 | L | B | -0.1602 | |
| 68 | R | B | -1.1132 | |
| 69 | E | B | -2.3670 | |
| 70 | T | B | -1.6819 | |
| 71 | P | B | -1.4870 | |
| 72 | D | B | -1.4116 | |
| 73 | N | B | -1.0012 | |
| 74 | I | B | -0.1110 | |
| 75 | L | B | -0.6221 | |
| 76 | E | B | -2.1143 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.2593 | |
| 79 | E | B | -2.5867 | |
| 80 | S | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | E | B | -1.7298 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.9080 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.5149 | |
| 87 | A | B | -1.5616 | |
| 88 | Q | B | -1.3771 | |
| 89 | G | B | -1.1348 | |
| 90 | S | B | -1.1776 | |
| 91 | P | B | -1.0081 | |
| 92 | L | B | -0.5114 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7743 | |
| 95 | P | B | -0.8645 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.5226 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -1.6981 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.0730 | |
| 102 | S | B | -0.8657 | |
| 103 | A | B | -0.4948 | |
| 104 | S | B | -0.9285 | |
| 105 | L | B | 0.0000 | |
| 106 | I | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | Q | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | P | B | 0.2563 | |
| 111 | L | B | 0.5498 | |
| 112 | S | B | -0.0618 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.3957 | |
| 116 | G | B | -0.9108 | |
| 117 | D | B | -0.9143 | |
| 118 | S | B | -0.8820 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.0283 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.0577 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.3056 | |
| 125 | A | B | -1.0654 | |
| 126 | K | B | -1.8183 | |
| 127 | A | B | -1.6142 | |
| 128 | E | B | -2.4695 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.4170 | |
| 131 | L | B | -2.0000 | |
| 132 | N | B | -1.9124 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.3028 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2139 | |
| 137 | K | B | -1.5863 | |
| 138 | N | B | -2.6183 | |
| 139 | D | B | -2.6623 | |
| 140 | N | B | -1.6519 | |
| 141 | V | B | 0.9989 | |
| 142 | L | B | 1.0886 | |
| 143 | A | B | 1.4830 | |
| 144 | F | B | 1.3439 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.5211 | |
| 147 | K | B | -3.2651 | |
| 148 | R | B | -3.1304 | |
| 149 | T | B | -2.0837 | |
| 150 | D | B | -1.2419 | |
| 151 | F | B | -0.1919 | |
| 152 | H | B | -0.7308 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.9604 | |
| 155 | H | B | -1.4753 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -1.0610 | |
| 158 | L | B | -0.7575 | |
| 159 | K | B | -1.6840 | |
| 160 | D | B | -1.3744 | |
| 161 | N | B | -1.7583 | |
| 162 | G | B | -1.8710 | |
| 163 | A | B | -2.0386 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1650 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.1123 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.3213 | |
| 170 | K | B | -1.0377 | |
| 171 | E | B | -1.8621 | |
| 172 | S | B | -0.9078 | |
| 173 | C | B | 0.3911 | |
| 174 | C | B | 0.4942 | |
| 175 | P | B | 0.3358 | |
| 176 | V | B | 0.5016 | |
| 177 | S | B | -0.1407 | |
| 178 | S | B | -0.4865 | |
| 179 | N | B | -0.8445 | |
| 180 | T | B | -0.9943 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.3607 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.1072 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.6719 | |
| 187 | E | B | -2.4133 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.6558 | |
| 191 | R | B | -2.2210 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.6140 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.8363 | |
| 196 | A | B | -1.1730 | |
| 197 | S | B | -0.7923 | |
| 198 | S | B | -0.5207 | |
| 199 | F | B | -0.1455 | |
| 200 | Q | B | -0.9290 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | -0.1297 | |
| 203 | S | B | -0.5836 | |
| 204 | G | B | -0.9187 | |
| 205 | N | B | -1.4321 | |
| 206 | P | B | -1.1405 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -1.0851 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.3114 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.4313 | |
| 213 | T | B | -1.1026 | |
| 214 | Q | B | -1.3016 | |
| 215 | L | B | -0.7410 | |
| 216 | S | B | -0.5704 | |
| 217 | L | B | 0.0342 | |
| 218 | E | B | -0.6054 | |
| 219 | R | B | -1.0136 | |
| 220 | S | B | -0.8598 | |
| 221 | D | B | -1.7458 | |
| 222 | V | B | -0.7153 | |
| 223 | P | B | -0.3195 | |
| 224 | L | B | 0.0000 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | 0.0000 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | -0.7262 | |
| 230 | R | B | -1.0234 | |
| 231 | D | B | -1.5408 | |
| 232 | D | B | -2.1894 | |
| 233 | Q | B | -1.7081 | |
| 234 | T | B | -0.8317 | |
| 235 | L | B | -0.5844 | |
| 236 | G | B | -0.1332 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.0368 | |
| 241 | L | B | 0.3429 | |
| 242 | S | B | -0.1142 | |
| 243 | P | B | -0.5786 | |
| 244 | N | B | -1.4425 | |
| 245 | F | B | -0.8862 | |
| 246 | Q | B | -1.4235 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -1.0207 | |
| 249 | A | B | -0.9861 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.7141 | |
| 252 | S | B | -0.7174 | |
| 253 | K | B | -1.4277 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.5885 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.2311 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4515 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.0359 | |
| 266 | P | B | -0.5800 | |
| 267 | Y | B | 0.1392 | |
| 268 | S | B | -0.0154 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.8637 | |
| 271 | S | B | -0.5573 | |
| 272 | D | B | -0.9981 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -1.0057 | |
| 275 | R | B | -1.1218 | |
| 276 | S | B | -0.2232 | |
| 277 | W | B | 0.7024 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.7252 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.3193 | |
| 282 | I | B | 0.2849 | |
| 283 | P | B | -0.2823 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.3042 | |
| 286 | H | B | -1.6398 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8858 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.0673 | |
| 291 | L | B | -0.7597 | |
| 292 | S | B | -1.4012 | |
| 293 | P | B | -1.6031 | |
| 294 | E | B | -2.5615 | |
| 295 | K | B | -2.2807 | |
| 296 | A | B | -0.8530 | |
| 297 | L | B | 0.8403 | |
| 298 | N | B | -0.0713 | |
| 299 | F | B | 0.6200 | |
| 300 | E | B | -0.6261 | |
| 301 | G | B | -0.8357 | |
| 302 | T | B | -0.7418 | |
| 303 | K | B | -1.8754 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7398 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0175 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.9108 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -2.2883 | |
| 312 | E | B | -2.7723 | |
| 313 | D | B | -1.9986 | |
| 314 | S | B | -0.9407 | |
| 315 | L | B | 0.2990 | |
| 316 | R | B | -1.0610 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.4554 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.1369 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.3581 | |
| 323 | H | B | -0.5900 | |
| 324 | E | B | -1.7118 | |
| 325 | G | B | -0.4573 | |
| 326 | V | B | 0.8708 | |
| 327 | P | B | -0.1545 | |
| 328 | L | B | -1.0624 | |
| 329 | R | B | -2.2983 | |
| 330 | H | B | -2.0781 | |
| 331 | K | B | -2.0473 | |
| 332 | S | B | -0.8534 | |
| 333 | V | B | 0.6363 | |
| 334 | R | B | -0.3102 | |
| 335 | C | B | -0.7772 | |
| 336 | E | B | -1.9365 | |
| 337 | R | B | -2.0505 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.2943 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6724 | |
| 343 | F | B | -0.8279 | |
| 344 | S | B | -0.9913 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0570 | |
| 347 | T | B | -1.1242 | |
| 348 | E | B | -2.0525 | |
| 349 | N | B | -1.5385 | |
| 350 | S | B | -1.3094 | |
| 351 | G | B | -1.3272 | |
| 352 | N | B | -1.5265 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3267 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9789 | |
| 359 | N | B | -0.8862 | |
| 360 | G | B | -0.7087 | |
| 361 | L | B | 0.0104 | |
| 362 | G | B | -0.5685 | |
| 363 | A | B | -0.7698 | |
| 364 | K | B | -1.2125 | |
| 365 | P | B | -0.9893 | |
| 366 | S | B | -0.7046 | |
| 367 | K | B | -1.4151 | |
| 368 | A | B | -0.7549 | |
| 369 | V | B | -0.0518 | |
| 370 | S | B | -0.7078 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.3885 | |
| 373 | V | B | 0.0000 | |
| 374 | T | B | 0.3959 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.3444 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.5619 | |
| 379 | H | B | -2.1381 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.2475 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.5421 | |
| 384 | L | B | -0.1258 | |
| 385 | S | B | -0.7607 | |
| 386 | S | B | -0.9701 | |
| 387 | P | B | -1.1825 | |
| 388 | E | B | -1.5976 | |
| 389 | D | B | -1.7232 | |
| 390 | L | B | -0.0307 | |
| 391 | I | B | -0.0357 | |
| 392 | F | B | 0.1461 | |
| 393 | E | B | -0.6379 | |
| 394 | G | B | -0.7793 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -1.4686 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.4779 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3761 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.9639 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -1.9561 | |
| 405 | R | B | -1.9150 | |
| 406 | G | B | -0.9052 | |
| 407 | S | B | -0.2021 | |
| 408 | L | B | 0.0157 | |
| 409 | P | B | -0.3730 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.8153 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.8755 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.1335 | |
| 416 | H | B | -1.4687 | |
| 417 | E | B | -2.3897 | |
| 418 | G | B | -1.3935 | |
| 419 | A | B | -0.6368 | |
| 420 | A | B | -0.7790 | |
| 421 | L | B | -0.7893 | |
| 422 | E | B | -2.6294 | |
| 423 | R | B | -3.1847 | |
| 424 | R | B | -2.7159 | |
| 425 | S | B | -1.4172 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3638 | |
| 428 | S | B | -0.7642 | |
| 429 | A | B | -0.8110 | |
| 430 | G | B | -0.8646 | |
| 431 | G | B | -0.8001 | |
| 432 | V | B | -0.7813 | |
| 433 | A | B | -0.5624 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.3595 | |
| 436 | F | B | -0.2834 | |
| 437 | S | B | -0.7666 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -0.9776 | |
| 440 | A | B | -1.1834 | |
| 441 | E | B | -2.0546 | |
| 442 | H | B | -1.5729 | |
| 443 | S | B | -1.3280 | |
| 444 | G | B | -1.3690 | |
| 445 | N | B | -1.6486 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1021 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.4812 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.9060 | |
| 452 | N | B | -0.3415 | |
| 453 | G | B | -0.3356 | |
| 454 | F | B | 0.2068 | |
| 455 | G | B | -0.5381 | |
| 456 | P | B | -1.1641 | |
| 457 | Q | B | -1.6777 | |
| 458 | R | B | -2.4664 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0124 | |
| 461 | A | B | -1.2236 | |
| 462 | V | B | -0.3061 | |
| 463 | S | B | -0.7351 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4772 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1991 | |
| 468 | V | B | -0.1669 | |
| 469 | P | B | -0.5384 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.5928 | |
| 472 | H | B | -2.1880 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.6937 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0386 | |
| 477 | L | B | 0.2547 | |
| 478 | S | B | -0.2776 | |
| 479 | S | B | -0.5476 | |
| 480 | A | B | -0.7910 | |
| 481 | E | B | -1.5076 | |
| 482 | A | B | -0.4258 | |
| 483 | L | B | 0.5369 | |
| 484 | T | B | 0.4661 | |
| 485 | F | B | 0.1940 | |
| 486 | E | B | -0.9224 | |
| 487 | G | B | -0.8194 | |
| 488 | A | B | -0.5083 | |
| 489 | T | B | -0.5496 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0077 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7160 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.3358 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.3313 | |
| 498 | R | B | -2.1036 | |
| 499 | G | B | -1.2843 | |
| 500 | S | B | -0.7596 | |
| 501 | P | B | -1.2319 | |
| 502 | Q | B | -1.5009 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2009 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2854 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.5582 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.5313 | |
| 511 | D | B | -2.3442 | |
| 512 | M | B | -0.5961 | |
| 513 | P | B | -0.3011 | |
| 514 | L | B | 0.2653 | |
| 515 | W | B | 0.5656 | |
| 516 | S | B | 0.0811 | |
| 517 | S | B | 0.0052 | |
| 518 | S | B | -0.4994 | |
| 519 | T | B | -0.7203 | |
| 520 | P | B | -0.7879 | |
| 521 | S | B | -0.8714 | |
| 522 | V | B | -1.1253 | |
| 523 | G | B | -1.7435 | |
| 524 | R | B | -2.4908 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.5742 | |
| 527 | F | B | 0.3054 | |
| 528 | S | B | -0.0239 | |
| 529 | F | B | -0.0081 | |
| 530 | S | B | -0.3743 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3561 | |
| 533 | E | B | -1.9726 | |
| 534 | G | B | -1.3089 | |
| 535 | H | B | -1.0440 | |
| 536 | S | B | -0.4643 | |
| 537 | G | B | -0.5569 | |
| 538 | N | B | -1.0820 | |
| 539 | Y | B | 0.0000 | |
| 540 | Y | B | 0.0000 | |
| 541 | C | B | 0.0000 | |
| 542 | T | B | 0.0000 | |
| 543 | A | B | 0.0000 | |
| 544 | D | B | -1.0138 | |
| 545 | N | B | -0.7661 | |
| 546 | G | B | -0.5543 | |
| 547 | F | B | 0.2816 | |
| 548 | G | B | -0.4835 | |
| 549 | P | B | -1.0687 | |
| 550 | Q | B | -1.5706 | |
| 551 | R | B | -2.3149 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4465 | |
| 554 | V | B | -0.0450 | |
| 555 | V | B | 0.3697 | |
| 556 | S | B | 0.2870 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5902 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2012 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.5522 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.6226 | |
| 565 | R | B | -2.5615 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4617 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.1977 | |
| 570 | L | B | -0.9781 | |
| 571 | R | B | -2.2461 | |
| 572 | V | B | -1.0951 | |
| 573 | P | B | -1.0790 | |
| 574 | R | B | -1.6024 | |
| 575 | A | B | -1.2205 | |
| 576 | Q | B | -1.5070 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.3035 | |
| 580 | G | B | 0.0849 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | -0.0010 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.7045 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.2176 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.8870 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.6107 | |
| 591 | R | B | -2.2673 | |
| 592 | G | B | -1.5919 | |
| 593 | S | B | -0.9454 | |
| 594 | P | B | -0.8719 | |
| 595 | P | B | -0.7040 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | -0.0948 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2641 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.2276 | |
| 602 | H | B | -0.7289 | |
| 603 | E | B | -1.9348 | |
| 604 | D | B | -1.6284 | |
| 605 | V | B | 0.5462 | |
| 606 | T | B | 0.3993 | |
| 607 | L | B | 0.3611 | |
| 608 | G | B | 0.2457 | |
| 609 | S | B | 0.1271 | |
| 610 | S | B | -0.2056 | |
| 611 | S | B | -0.5403 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.5939 | |
| 614 | S | B | -0.8166 | |
| 615 | G | B | -1.3751 | |
| 616 | G | B | -1.9560 | |
| 617 | E | B | -2.3076 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.1724 | |
| 620 | F | B | -0.5767 | |
| 621 | N | B | -1.4389 | |
| 622 | L | B | -0.4341 | |
| 623 | S | B | -0.2139 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3867 | |
| 626 | A | B | -0.7076 | |
| 627 | E | B | -1.8694 | |
| 628 | H | B | -1.2299 | |
| 629 | S | B | -1.0196 | |
| 630 | G | B | -1.0934 | |
| 631 | N | B | -1.5089 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.6932 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9122 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6390 | |
| 638 | N | B | -0.4190 | |
| 639 | G | B | -0.2672 | |
| 640 | L | B | 0.4817 | |
| 641 | V | B | 0.4754 | |
| 642 | A | B | -0.4426 | |
| 643 | Q | B | -1.5863 | |
| 644 | H | B | -1.7654 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8744 | |
| 647 | T | B | -0.9397 | |
| 648 | I | B | 0.0596 | |
| 649 | S | B | -0.3709 | |
| 650 | L | B | -0.2498 | |
| 651 | S | B | -0.6226 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.2201 | |
| 654 | V | B | 0.2055 | |
| 655 | P | B | -0.8070 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.6633 | |
| 658 | R | B | -2.6747 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.1707 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2100 | |
| 663 | F | B | -0.8225 | |
| 664 | R | B | -2.2133 | |
| 665 | A | B | -1.5976 | |
| 666 | P | B | -1.4277 | |
| 667 | R | B | -2.2630 | |
| 668 | A | B | -1.3891 | |
| 669 | Q | B | -1.3557 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.2525 | |
| 673 | G | B | 0.0611 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.0740 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.3797 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.7437 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7937 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.1072 | |
| 684 | R | B | -1.6248 | |
| 685 | G | B | -0.9468 | |
| 686 | S | B | -0.6373 | |
| 687 | S | B | -0.8342 | |
| 688 | P | B | -0.7676 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.4115 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4834 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.0584 | |
| 695 | H | B | -0.0425 | |
| 696 | E | B | -0.9060 | |
| 697 | D | B | -1.2525 | |
| 698 | V | B | 0.6900 | |
| 699 | T | B | 0.2248 | |
| 700 | L | B | 0.1163 | |
| 701 | G | B | -0.2461 | |
| 702 | K | B | -1.2341 | |
| 703 | I | B | -0.2235 | |
| 704 | S | B | -0.4786 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5835 | |
| 707 | S | B | -0.6352 | |
| 708 | G | B | -0.8395 | |
| 709 | G | B | -0.8293 | |
| 710 | G | B | -0.3627 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.8399 | |
| 713 | F | B | -0.5317 | |
| 714 | N | B | -1.2387 | |
| 715 | L | B | -0.3487 | |
| 716 | S | B | -0.1194 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.4847 | |
| 719 | T | B | -1.0884 | |
| 720 | E | B | -2.0752 | |
| 721 | H | B | -1.3703 | |
| 722 | S | B | -1.3739 | |
| 723 | G | B | -0.6709 | |
| 724 | I | B | -0.0667 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.6662 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.5075 | |
| 731 | N | B | -0.8984 | |
| 732 | G | B | -0.8881 | |
| 733 | L | B | -0.8885 | |
| 734 | E | B | -2.0369 | |
| 735 | A | B | -1.8360 | |
| 736 | Q | B | -2.5183 | |
| 737 | R | B | -2.5444 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.6068 | |
| 740 | M | B | 0.3234 | |
| 741 | V | B | 0.5548 | |
| 742 | T | B | -0.0927 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9292 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.4085 | |
| 747 | V | B | -0.1994 | |
| 748 | P | B | -0.6668 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.3364 | |
| 751 | R | B | -2.0809 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | -0.0204 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.7226 | |
| 756 | L | B | 0.0000 | |
| 757 | R | B | -2.3065 | |
| 758 | A | B | -1.4192 | |
| 759 | P | B | -0.9760 | |
| 760 | G | B | -0.9749 | |
| 761 | T | B | -0.4579 | |
| 762 | H | B | -0.5839 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.4795 | |
| 765 | V | B | 0.8448 | |
| 766 | G | B | 0.1673 | |
| 767 | D | B | -0.1463 | |
| 768 | L | B | 0.2429 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.7229 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -1.0338 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.6129 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.2209 | |
| 777 | R | B | -1.5346 | |
| 778 | G | B | -0.7417 | |
| 779 | S | B | -0.3097 | |
| 780 | P | B | 0.1017 | |
| 781 | L | B | 0.9802 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.6246 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.8042 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | 0.0000 | |
| 788 | H | B | -1.1202 | |
| 789 | E | B | -2.3925 | |
| 790 | D | B | -1.8961 | |
| 791 | V | B | 0.3609 | |
| 792 | T | B | -0.1394 | |
| 793 | L | B | -0.1317 | |
| 794 | G | B | -0.9116 | |
| 795 | N | B | -2.1552 | |
| 796 | R | B | -2.1410 | |
| 797 | S | B | -0.9650 | |
| 798 | S | B | -0.3937 | |
| 799 | P | B | -0.0228 | |
| 800 | S | B | -0.5245 | |
| 801 | G | B | -0.7270 | |
| 802 | G | B | -0.5251 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.5035 | |
| 805 | L | B | 0.0000 | |
| 806 | N | B | -1.4649 | |
| 807 | L | B | -0.4925 | |
| 808 | S | B | -0.1824 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.3064 | |
| 811 | A | B | -0.2335 | |
| 812 | E | B | -1.7055 | |
| 813 | H | B | -0.9597 | |
| 814 | S | B | -0.5792 | |
| 815 | G | B | -0.8305 | |
| 816 | N | B | -1.4851 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.5868 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -1.0919 | |
| 823 | N | B | -0.2709 | |
| 824 | G | B | -0.3846 | |
| 825 | L | B | -0.2118 | |
| 826 | G | B | -0.6005 | |
| 827 | A | B | -1.1997 | |
| 828 | Q | B | -1.8708 | |
| 829 | R | B | -1.9188 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.3532 | |
| 832 | T | B | -0.8583 | |
| 833 | V | B | -0.1522 | |
| 834 | T | B | -0.2650 | |
| 835 | L | B | 0.0000 | |
| 836 | Y | B | 0.8945 | |
| 837 | I | B | 0.5791 | |
| 838 | T | B | 0.5934 | |
| 839 | G | B | 0.6229 | |
| 840 | L | B | 1.3241 | |
| 841 | T | B | 0.3355 | |
| 842 | A | B | -0.6400 | |
| 843 | N | B | -2.1883 | |
| 844 | R | B | -2.6675 | |
| 845 | S | B | -1.7843 | |
| 846 | G | B | -0.7657 | |
| 847 | P | B | 0.4224 | |
| 848 | F | B | 1.7509 | |
| 849 | A | B | 0.9917 | |
| 850 | T | B | 0.5289 | |
| 851 | G | B | 0.3815 | |
| 852 | V | B | 1.4564 | |
| 853 | A | B | 0.4825 | |
| 854 | G | B | 0.0737 | |
| 855 | G | B | 0.5532 | |
| 856 | L | B | 1.8882 | |
| 857 | L | B | 2.4987 | |
| 858 | S | B | 1.9359 | |
| 859 | I | B | 2.1472 | |
| 860 | A | B | 1.1868 | |
| 861 | G | B | 0.8165 | |
| 862 | L | B | 1.3321 | |
| 863 | A | B | 0.7752 | |
| 864 | A | B | 0.3356 | |
| 865 | G | B | 0.1071 | |
| 866 | A | B | 1.0556 | |
| 867 | L | B | 2.5868 | |
| 868 | L | B | 3.4341 | |
| 869 | L | B | 3.5425 | |
| 870 | Y | B | 3.0854 | |
| 871 | C | B | 2.7494 | |
| 872 | W | B | 2.5869 | |
| 873 | L | B | 1.7775 | |
| 874 | S | B | -0.5325 | |
| 875 | R | B | -2.5454 | |
| 876 | K | B | -2.8379 | |
| 877 | A | B | -1.8207 | |
| 878 | G | B | -2.0461 | |
| 879 | R | B | -3.0776 | |
| 880 | K | B | -2.9591 | |
| 881 | P | B | -1.4919 | |
| 882 | A | B | -0.9306 | |
| 883 | S | B | -1.3129 | |
| 884 | D | B | -2.0073 | |
| 885 | P | B | -1.5231 | |
| 886 | A | B | -1.3910 | |
| 887 | R | B | -2.0371 | |
| 888 | S | B | -1.2920 | |
| 889 | P | B | -1.2944 | |
| 890 | S | B | -1.4232 | |
| 891 | D | B | -2.4429 | |
| 892 | S | B | -2.1838 | |
| 893 | D | B | -2.8770 | |
| 894 | S | B | -2.2146 | |
| 895 | Q | B | -2.7316 | |
| 896 | E | B | -2.6345 | |
| 897 | P | B | -1.2610 | |
| 898 | T | B | -0.5221 | |
| 899 | Y | B | 0.4393 | |
| 900 | H | B | -0.5686 | |
| 901 | N | B | -0.6459 | |
| 902 | V | B | 1.0980 | |
| 903 | P | B | 0.2283 | |
| 904 | A | B | 0.0361 | |
| 905 | W | B | 0.2112 | |
| 906 | E | B | -1.8740 | |
| 907 | E | B | -1.9954 | |
| 908 | L | B | -0.0709 | |
| 909 | Q | B | -0.6371 | |
| 910 | P | B | 0.6796 | |
| 911 | V | B | 2.0526 | |
| 912 | Y | B | 1.6086 | |
| 913 | T | B | 0.3075 | |
| 914 | N | B | -1.1094 | |
| 915 | A | B | -1.3272 | |
| 916 | N | B | -2.2906 | |
| 917 | P | B | -2.3173 | |
| 918 | R | B | -3.1167 | |
| 919 | G | B | -2.5436 | |
| 920 | E | B | -2.4770 | |
| 921 | N | B | -0.9570 | |
| 922 | V | B | 1.7911 | |
| 923 | V | B | 2.4336 | |
| 924 | Y | B | 2.1421 | |
| 925 | S | B | 0.4786 | |
| 926 | E | B | -0.7991 | |
| 927 | V | B | 0.8768 | |
| 928 | R | B | -0.1199 | |
| 929 | I | B | 1.8109 | |
| 930 | I | B | 1.4222 | |
| 931 | Q | B | -1.4331 | |
| 932 | E | B | -3.1079 | |
| 933 | K | B | -4.0418 | |
| 934 | K | B | -4.2259 | |
| 935 | K | B | -3.6724 | |
| 936 | H | B | -1.9924 | |
| 937 | A | B | -0.1655 | |
| 938 | V | B | 1.5490 | |
| 939 | A | B | 0.3336 | |
| 940 | S | B | -0.9060 | |
| 941 | D | B | -2.6068 | |
| 942 | P | B | -2.0094 | |
| 943 | R | B | -2.7744 | |
| 944 | H | B | -2.0475 | |
| 945 | L | B | -0.8645 | |
| 946 | R | B | -2.6774 | |
| 947 | N | B | -2.8453 | |
| 948 | K | B | -2.9076 | |
| 949 | G | B | -1.7679 | |
| 950 | S | B | -0.4181 | |
| 951 | P | B | 0.9987 | |
| 952 | I | B | 3.0632 | |
| 953 | I | B | 3.2781 | |
| 954 | Y | B | 2.4232 | |
| 955 | S | B | 0.5535 | |
| 956 | E | B | -0.7534 | |
| 957 | V | B | 0.6478 | |
| 958 | K | B | -0.4830 | |
| 959 | V | B | 1.1805 | |
| 960 | A | B | 0.5254 | |
| 961 | S | B | 0.2040 | |
| 962 | T | B | 0.3310 | |
| 963 | P | B | 0.4064 | |
| 964 | V | B | 1.3550 | |
| 965 | S | B | 0.4706 | |
| 966 | G | B | 0.3556 | |
| 967 | S | B | 1.1082 | |
| 968 | L | B | 2.6706 | |
| 969 | F | B | 3.3250 | |
| 970 | L | B | 2.8205 | |
| 971 | A | B | 1.3591 | |
| 972 | S | B | 0.3177 | |
| 973 | S | B | -0.2606 | |
| 974 | A | B | -0.4500 | |
| 975 | P | B | -1.2097 | |
| 976 | H | B | -2.0129 | |
| 977 | R | B | -2.3810 |
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 | -0.3593 | 6.9192 | View | CSV | PDB |
| 4.5 | -0.4206 | 6.9192 | View | CSV | PDB |
| 5.0 | -0.4975 | 6.9192 | View | CSV | PDB |
| 5.5 | -0.5753 | 6.9192 | View | CSV | PDB |
| 6.0 | -0.6387 | 6.9192 | View | CSV | PDB |
| 6.5 | -0.6767 | 6.9192 | View | CSV | PDB |
| 7.0 | -0.6888 | 6.9192 | View | CSV | PDB |
| 7.5 | -0.6838 | 6.9192 | View | CSV | PDB |
| 8.0 | -0.6702 | 6.9192 | View | CSV | PDB |
| 8.5 | -0.6512 | 6.9192 | View | CSV | PDB |
| 9.0 | -0.6267 | 6.9192 | 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