| Chain sequence(s) |
A: SKEEILEALRAAHEELIARAREELGLSENEVENIRRQLDADLEVLRASSWSEEELRRIAEDLLADRRAELARRIAERRAA
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 (00:12:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c42965aaec0b48/tmp/folded.pdb (00:12:38)
[INFO] Main: Simulation completed successfully. (00:26:37)
|
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 | -1.9288 | |
| 2 | K | A | -2.9799 | |
| 3 | E | A | -3.1994 | |
| 4 | E | A | -3.5010 | |
| 5 | I | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -3.1095 | |
| 8 | A | A | -1.9246 | |
| 9 | L | A | 0.0000 | |
| 10 | R | A | -2.2415 | |
| 11 | A | A | -1.4730 | |
| 12 | A | A | -1.2832 | |
| 13 | H | A | 0.0000 | |
| 14 | E | A | -2.2664 | |
| 15 | E | A | -2.9300 | |
| 16 | L | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | A | A | -2.9388 | |
| 19 | R | A | -3.9803 | |
| 20 | A | A | 0.0000 | |
| 21 | R | A | -4.0612 | |
| 22 | E | A | -4.0359 | |
| 23 | E | A | -3.9161 | |
| 24 | L | A | 0.0000 | |
| 25 | G | A | -2.4860 | |
| 26 | L | A | -2.2259 | |
| 27 | S | A | -1.7216 | |
| 28 | E | A | -2.6302 | |
| 29 | N | A | 0.0000 | |
| 30 | E | A | -2.2262 | |
| 31 | V | A | 0.0000 | |
| 32 | E | A | -2.3282 | |
| 33 | N | A | -1.8709 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -2.2075 | |
| 36 | R | A | -1.9494 | |
| 37 | Q | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | D | A | -1.8485 | |
| 40 | A | A | -1.5060 | |
| 41 | D | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | E | A | -2.1260 | |
| 44 | V | A | -0.8062 | |
| 45 | L | A | 0.0000 | |
| 46 | R | A | -1.7381 | |
| 47 | A | A | -0.7733 | |
| 48 | S | A | -0.4834 | |
| 49 | S | A | -0.7605 | |
| 50 | W | A | -1.5242 | |
| 51 | S | A | -2.3751 | |
| 52 | E | A | -3.9938 | |
| 53 | E | A | -4.3800 | |
| 54 | E | A | -4.0718 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -5.1498 | |
| 57 | R | A | -4.9603 | |
| 58 | I | A | -3.2318 | |
| 59 | A | A | 0.0000 | |
| 60 | E | A | -3.8918 | |
| 61 | D | A | -3.6175 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | -1.8676 | |
| 64 | A | A | -1.8105 | |
| 65 | D | A | -1.6152 | |
| 66 | R | A | 0.0000 | |
| 67 | R | A | -2.2199 | |
| 68 | A | A | -1.2045 | |
| 69 | E | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | A | A | -1.5411 | |
| 72 | R | A | -2.2047 | |
| 73 | R | A | -2.3580 | |
| 74 | I | A | -2.3809 | |
| 75 | A | A | -2.3128 | |
| 76 | E | A | -3.4989 | |
| 77 | R | A | -3.8770 | |
| 78 | R | A | -3.4926 | |
| 79 | A | A | -1.9995 | |
| 80 | A | A | -1.5602 | |
| 1 | M | B | 2.4039 | |
| 2 | L | B | 3.4126 | |
| 3 | L | B | 4.0211 | |
| 4 | W | B | 4.2600 | |
| 5 | V | B | 4.7473 | |
| 6 | I | B | 4.9633 | |
| 7 | L | B | 4.8169 | |
| 8 | L | B | 4.5466 | |
| 9 | V | B | 4.0753 | |
| 10 | L | B | 3.3884 | |
| 11 | A | B | 1.9969 | |
| 12 | P | B | 1.2222 | |
| 13 | V | B | 1.4981 | |
| 14 | S | B | 0.2886 | |
| 15 | G | B | -0.0425 | |
| 16 | Q | B | -0.5640 | |
| 17 | F | B | 0.6323 | |
| 18 | A | B | -0.3621 | |
| 19 | R | B | -1.7537 | |
| 20 | T | B | -1.1042 | |
| 21 | P | B | -1.2076 | |
| 22 | R | B | -1.8848 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.1627 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.7968 | |
| 27 | L | B | -0.0693 | |
| 28 | Q | B | -1.4729 | |
| 29 | P | B | -0.9686 | |
| 30 | P | B | -0.2042 | |
| 31 | W | B | -0.0909 | |
| 32 | T | B | -0.4181 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.3819 | |
| 37 | G | B | -2.0139 | |
| 38 | E | B | -2.2029 | |
| 39 | R | B | -3.2957 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.3008 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.0046 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.0452 | |
| 46 | G | B | -0.1138 | |
| 47 | F | B | 1.2025 | |
| 48 | R | B | -0.0790 | |
| 49 | F | B | 1.8999 | |
| 50 | Y | B | 1.7128 | |
| 51 | S | B | 0.0321 | |
| 52 | P | B | -0.7048 | |
| 53 | Q | B | -1.6502 | |
| 54 | K | B | -2.8617 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -1.9836 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.6579 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -1.8421 | |
| 61 | Y | B | -0.4179 | |
| 62 | L | B | 0.6227 | |
| 63 | G | B | -0.9881 | |
| 64 | K | B | -2.3686 | |
| 65 | E | B | -2.4060 | |
| 66 | I | B | -0.6143 | |
| 67 | L | B | -0.1230 | |
| 68 | R | B | -1.0620 | |
| 69 | E | B | -2.4748 | |
| 70 | T | B | -1.8231 | |
| 71 | P | B | -1.6869 | |
| 72 | D | B | -1.6507 | |
| 73 | N | B | -1.0065 | |
| 74 | I | B | -0.1760 | |
| 75 | L | B | -0.8181 | |
| 76 | E | B | -2.3212 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -2.7521 | |
| 79 | E | B | -2.2577 | |
| 80 | S | B | -1.3430 | |
| 81 | G | B | -1.1894 | |
| 82 | E | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8461 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.6447 | |
| 87 | A | B | -1.8429 | |
| 88 | Q | B | -2.1770 | |
| 89 | G | B | -1.0858 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1977 | |
| 92 | L | B | -0.7416 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7905 | |
| 95 | P | B | -0.7288 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.3651 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -1.9867 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.1822 | |
| 102 | S | B | -0.8096 | |
| 103 | A | B | -0.4801 | |
| 104 | S | B | -0.9159 | |
| 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 | 0.4555 | |
| 111 | L | B | 0.5209 | |
| 112 | S | B | -0.0423 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.4909 | |
| 116 | G | B | -0.7449 | |
| 117 | D | B | -0.7405 | |
| 118 | S | B | -0.7771 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.0339 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.1061 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.2774 | |
| 125 | A | B | -0.9979 | |
| 126 | K | B | -1.7417 | |
| 127 | A | B | -1.5631 | |
| 128 | E | B | -2.4279 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1715 | |
| 131 | L | B | -1.4590 | |
| 132 | N | B | -1.6340 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.5335 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.2340 | |
| 137 | K | B | -1.5928 | |
| 138 | N | B | -2.6267 | |
| 139 | D | B | -2.6821 | |
| 140 | N | B | -1.6831 | |
| 141 | V | B | 0.9266 | |
| 142 | L | B | 1.0441 | |
| 143 | A | B | 1.4588 | |
| 144 | F | B | 1.3131 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.4052 | |
| 147 | K | B | -3.1135 | |
| 148 | R | B | -3.0578 | |
| 149 | T | B | -2.0173 | |
| 150 | D | B | -1.2336 | |
| 151 | F | B | -0.1792 | |
| 152 | H | B | -0.6827 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.7701 | |
| 155 | H | B | -0.9644 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.7664 | |
| 158 | L | B | -0.1232 | |
| 159 | K | B | -1.3730 | |
| 160 | D | B | -1.1465 | |
| 161 | N | B | -1.6182 | |
| 162 | G | B | -1.7959 | |
| 163 | A | B | -2.0785 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.2192 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.1722 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.3658 | |
| 170 | K | B | -0.9073 | |
| 171 | E | B | -1.9139 | |
| 172 | S | B | -0.8484 | |
| 173 | C | B | 0.4184 | |
| 174 | C | B | 0.5206 | |
| 175 | P | B | 0.3388 | |
| 176 | V | B | 0.4915 | |
| 177 | S | B | -0.0921 | |
| 178 | S | B | -0.4654 | |
| 179 | N | B | -0.8454 | |
| 180 | T | B | -1.1507 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.2765 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.8890 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.9191 | |
| 187 | E | B | -2.3024 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.7621 | |
| 191 | R | B | -2.2132 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.7041 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.8508 | |
| 196 | A | B | -1.0787 | |
| 197 | S | B | -0.7065 | |
| 198 | S | B | -0.5132 | |
| 199 | F | B | -0.1352 | |
| 200 | Q | B | -0.9380 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.0915 | |
| 203 | S | B | -0.3048 | |
| 204 | G | B | -0.5115 | |
| 205 | N | B | -0.9548 | |
| 206 | P | B | -0.7298 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -0.7541 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.1876 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -1.6065 | |
| 213 | T | B | -1.2434 | |
| 214 | Q | B | -1.5423 | |
| 215 | L | B | -1.1058 | |
| 216 | S | B | -0.9813 | |
| 217 | L | B | -0.5172 | |
| 218 | E | B | -0.8121 | |
| 219 | R | B | -1.2565 | |
| 220 | S | B | -1.2345 | |
| 221 | D | B | -1.8229 | |
| 222 | V | B | -0.6307 | |
| 223 | P | B | -0.2928 | |
| 224 | L | B | 0.0456 | |
| 225 | R | B | -0.1645 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | -0.5463 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | R | B | -1.5500 | |
| 231 | D | B | -2.4732 | |
| 232 | D | B | -2.8702 | |
| 233 | Q | B | -2.3560 | |
| 234 | T | B | 0.0000 | |
| 235 | L | B | -0.7704 | |
| 236 | G | B | -0.7243 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | P | B | -0.6348 | |
| 244 | N | B | -1.1641 | |
| 245 | F | B | 0.0000 | |
| 246 | Q | B | -1.0099 | |
| 247 | I | B | 0.0000 | |
| 248 | T | B | -1.1331 | |
| 249 | A | B | -0.6367 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | -0.3250 | |
| 252 | S | B | -0.7861 | |
| 253 | K | B | -1.7317 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.7180 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.0871 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.5449 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.3759 | |
| 266 | P | B | -0.0475 | |
| 267 | Y | B | 1.0536 | |
| 268 | S | B | 0.7435 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.8532 | |
| 271 | S | B | -0.3582 | |
| 272 | D | B | -0.8526 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -1.0649 | |
| 275 | R | B | -1.4022 | |
| 276 | S | B | -0.3257 | |
| 277 | W | B | 0.7111 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.7608 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | -0.3134 | |
| 282 | I | B | 0.4353 | |
| 283 | P | B | -0.1677 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -1.0612 | |
| 286 | H | B | -1.5134 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8586 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.1198 | |
| 291 | L | B | -0.8206 | |
| 292 | S | B | -1.4565 | |
| 293 | P | B | -1.6615 | |
| 294 | E | B | -2.5579 | |
| 295 | K | B | -2.2556 | |
| 296 | A | B | -0.7636 | |
| 297 | L | B | 1.0784 | |
| 298 | N | B | 0.1354 | |
| 299 | F | B | 0.8773 | |
| 300 | E | B | -0.4276 | |
| 301 | G | B | -0.8331 | |
| 302 | T | B | -0.6657 | |
| 303 | K | B | -1.8170 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.6624 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | -0.0606 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -1.5393 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -2.6257 | |
| 312 | E | B | -3.1236 | |
| 313 | D | B | -3.3992 | |
| 314 | S | B | -2.0629 | |
| 315 | L | B | -1.0982 | |
| 316 | R | B | -2.3430 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | -0.8243 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.2842 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4192 | |
| 323 | H | B | -0.8147 | |
| 324 | E | B | -1.7560 | |
| 325 | G | B | -0.5442 | |
| 326 | V | B | 0.7725 | |
| 327 | P | B | -0.2347 | |
| 328 | L | B | -0.6478 | |
| 329 | R | B | -2.2552 | |
| 330 | H | B | -2.3333 | |
| 331 | K | B | -2.0280 | |
| 332 | S | B | -1.4694 | |
| 333 | V | B | -1.8554 | |
| 334 | R | B | -2.3019 | |
| 335 | C | B | -1.5078 | |
| 336 | E | B | -3.0902 | |
| 337 | R | B | -3.8470 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.6634 | |
| 341 | I | B | -0.4556 | |
| 342 | S | B | -0.3902 | |
| 343 | F | B | -0.3593 | |
| 344 | S | B | -0.8913 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -0.9493 | |
| 347 | T | B | -1.0068 | |
| 348 | E | B | -2.0127 | |
| 349 | N | B | -1.4846 | |
| 350 | S | B | -1.2707 | |
| 351 | G | B | -1.3115 | |
| 352 | N | B | -1.5447 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3950 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9968 | |
| 359 | N | B | -0.7984 | |
| 360 | G | B | -0.7957 | |
| 361 | L | B | -0.0224 | |
| 362 | G | B | -0.5672 | |
| 363 | A | B | -0.7620 | |
| 364 | K | B | -1.2199 | |
| 365 | P | B | -0.8858 | |
| 366 | S | B | -0.7219 | |
| 367 | K | B | -1.4093 | |
| 368 | A | B | -0.7557 | |
| 369 | V | B | -0.0606 | |
| 370 | S | B | -0.7135 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.2668 | |
| 373 | V | B | 0.0248 | |
| 374 | T | B | 0.5948 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.3871 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.7709 | |
| 379 | H | B | -2.3390 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.9180 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -1.2852 | |
| 384 | L | B | -0.4710 | |
| 385 | S | B | -1.0861 | |
| 386 | S | B | -1.3172 | |
| 387 | P | B | -1.6015 | |
| 388 | E | B | -2.3052 | |
| 389 | D | B | -1.9812 | |
| 390 | L | B | -0.1809 | |
| 391 | I | B | -0.0986 | |
| 392 | F | B | 0.0985 | |
| 393 | E | B | -0.6575 | |
| 394 | G | B | -0.7551 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0524 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.7165 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.7771 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -1.2783 | |
| 403 | A | B | -1.7558 | |
| 404 | Q | B | -2.1967 | |
| 405 | R | B | -2.2454 | |
| 406 | G | B | -1.1501 | |
| 407 | S | B | -0.2093 | |
| 408 | L | B | 0.1174 | |
| 409 | P | B | -0.2974 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.5894 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.1223 | |
| 416 | H | B | -1.4829 | |
| 417 | E | B | -2.3948 | |
| 418 | G | B | -1.3988 | |
| 419 | A | B | -0.6480 | |
| 420 | A | B | -0.7822 | |
| 421 | L | B | -0.8578 | |
| 422 | E | B | -2.7144 | |
| 423 | R | B | -3.0839 | |
| 424 | R | B | -2.5176 | |
| 425 | S | B | -1.2648 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3227 | |
| 428 | S | B | -0.7627 | |
| 429 | A | B | -0.8515 | |
| 430 | G | B | -0.8833 | |
| 431 | G | B | -0.8999 | |
| 432 | V | B | 0.0000 | |
| 433 | A | B | -0.7392 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4820 | |
| 436 | F | B | -0.3870 | |
| 437 | S | B | -0.8692 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0015 | |
| 440 | A | B | -1.1805 | |
| 441 | E | B | -2.0646 | |
| 442 | H | B | -1.5809 | |
| 443 | S | B | -1.2579 | |
| 444 | G | B | -1.3723 | |
| 445 | N | B | -1.6575 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.2114 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.4509 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.8205 | |
| 452 | N | B | -0.2984 | |
| 453 | G | B | -0.4132 | |
| 454 | F | B | 0.3786 | |
| 455 | G | B | -0.5553 | |
| 456 | P | B | -1.1402 | |
| 457 | Q | B | -1.7302 | |
| 458 | R | B | -2.5611 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.1976 | |
| 461 | A | B | -1.3547 | |
| 462 | V | B | -0.4685 | |
| 463 | S | B | -0.7390 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4498 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.2572 | |
| 468 | V | B | -0.0895 | |
| 469 | P | B | -0.4887 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.4472 | |
| 472 | H | B | -2.1768 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.3462 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.1862 | |
| 477 | L | B | 0.2524 | |
| 478 | S | B | -0.2155 | |
| 479 | S | B | -0.4250 | |
| 480 | A | B | -0.6178 | |
| 481 | E | B | -1.1960 | |
| 482 | A | B | -0.3149 | |
| 483 | L | B | 0.5065 | |
| 484 | T | B | 0.3821 | |
| 485 | F | B | 0.0200 | |
| 486 | E | B | -1.0651 | |
| 487 | G | B | -0.8884 | |
| 488 | A | B | 0.0000 | |
| 489 | T | B | -0.5273 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0158 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.4782 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -1.4952 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -1.9614 | |
| 498 | R | B | -1.6751 | |
| 499 | G | B | -1.0340 | |
| 500 | S | B | -0.6379 | |
| 501 | P | B | -1.1310 | |
| 502 | Q | B | -1.4723 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2257 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2952 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.4609 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.3028 | |
| 511 | D | B | -2.1949 | |
| 512 | M | B | -0.3871 | |
| 513 | P | B | -0.2036 | |
| 514 | L | B | 0.3499 | |
| 515 | W | B | 0.6113 | |
| 516 | S | B | 0.1006 | |
| 517 | S | B | 0.0120 | |
| 518 | S | B | -0.4972 | |
| 519 | T | B | -0.6435 | |
| 520 | P | B | -0.7430 | |
| 521 | S | B | -0.6870 | |
| 522 | V | B | -0.6390 | |
| 523 | G | B | -1.3390 | |
| 524 | R | B | -2.0445 | |
| 525 | V | B | -0.8853 | |
| 526 | S | B | -0.4424 | |
| 527 | F | B | 0.3075 | |
| 528 | S | B | 0.0163 | |
| 529 | F | B | 0.0225 | |
| 530 | S | B | -0.3988 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3985 | |
| 533 | E | B | -2.0241 | |
| 534 | G | B | -1.3262 | |
| 535 | H | B | -1.0292 | |
| 536 | S | B | -0.5095 | |
| 537 | G | B | -0.5123 | |
| 538 | N | B | -1.0017 | |
| 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 | -1.1193 | |
| 545 | N | B | -0.7907 | |
| 546 | G | B | -0.5262 | |
| 547 | F | B | 0.2387 | |
| 548 | G | B | -0.5772 | |
| 549 | P | B | -1.2742 | |
| 550 | Q | B | -1.9638 | |
| 551 | R | B | -2.6322 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4659 | |
| 554 | V | B | -0.0528 | |
| 555 | V | B | 0.3896 | |
| 556 | S | B | 0.3141 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5705 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.1144 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.5685 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.4250 | |
| 565 | R | B | -2.4684 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4977 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.0756 | |
| 570 | L | B | -0.8066 | |
| 571 | R | B | -2.0838 | |
| 572 | V | B | -1.1788 | |
| 573 | P | B | -1.3742 | |
| 574 | R | B | -2.3269 | |
| 575 | A | B | -1.5660 | |
| 576 | Q | B | -1.5414 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.3555 | |
| 580 | G | B | 0.1350 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.0901 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.4849 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -1.0341 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.6458 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.5129 | |
| 591 | R | B | -2.1504 | |
| 592 | G | B | -1.5849 | |
| 593 | S | B | -0.9334 | |
| 594 | P | B | -0.8514 | |
| 595 | P | B | -0.6996 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0284 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.1999 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.2815 | |
| 602 | H | B | -0.9365 | |
| 603 | E | B | -2.3714 | |
| 604 | D | B | -1.8335 | |
| 605 | V | B | 0.4020 | |
| 606 | T | B | 0.2976 | |
| 607 | L | B | 0.2820 | |
| 608 | G | B | 0.1964 | |
| 609 | S | B | 0.0478 | |
| 610 | S | B | -0.2511 | |
| 611 | S | B | -0.5728 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6046 | |
| 614 | S | B | -0.8139 | |
| 615 | G | B | -1.3446 | |
| 616 | G | B | -1.9091 | |
| 617 | E | B | -2.2498 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -1.0087 | |
| 620 | F | B | -0.4952 | |
| 621 | N | B | -1.3310 | |
| 622 | L | B | -0.3746 | |
| 623 | S | B | -0.1453 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3557 | |
| 626 | A | B | -0.6823 | |
| 627 | E | B | -1.8675 | |
| 628 | H | B | -1.2585 | |
| 629 | S | B | -1.0431 | |
| 630 | G | B | -1.1523 | |
| 631 | N | B | -1.5602 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.7444 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.8730 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.3324 | |
| 638 | N | B | -0.2285 | |
| 639 | G | B | -0.0427 | |
| 640 | L | B | 0.9130 | |
| 641 | V | B | 1.6042 | |
| 642 | A | B | 0.0685 | |
| 643 | Q | B | -1.3182 | |
| 644 | H | B | -1.7528 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8467 | |
| 647 | T | B | -0.9522 | |
| 648 | I | B | -0.0715 | |
| 649 | S | B | -0.3623 | |
| 650 | L | B | -0.2035 | |
| 651 | S | B | -0.6011 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.2871 | |
| 654 | V | B | 0.2136 | |
| 655 | P | B | -0.8377 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.6023 | |
| 658 | R | B | -2.5069 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.3789 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.2451 | |
| 663 | F | B | -0.9066 | |
| 664 | R | B | -2.3361 | |
| 665 | A | B | -1.5536 | |
| 666 | P | B | -1.5044 | |
| 667 | R | B | -2.2732 | |
| 668 | A | B | -1.3815 | |
| 669 | Q | B | -1.3456 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.3574 | |
| 673 | G | B | 0.0970 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | -0.0676 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.7220 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.8622 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7912 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.1921 | |
| 684 | R | B | -1.6143 | |
| 685 | G | B | -0.9389 | |
| 686 | S | B | -0.6136 | |
| 687 | S | B | -0.8347 | |
| 688 | P | B | -0.7581 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3321 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4105 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.1931 | |
| 695 | H | B | -0.5125 | |
| 696 | E | B | -1.7982 | |
| 697 | D | B | -1.6451 | |
| 698 | V | B | 0.3967 | |
| 699 | T | B | 0.0702 | |
| 700 | L | B | 0.0147 | |
| 701 | G | B | -0.2418 | |
| 702 | K | B | -1.2183 | |
| 703 | I | B | -0.1797 | |
| 704 | S | B | -0.4195 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5716 | |
| 707 | S | B | -0.6397 | |
| 708 | G | B | -0.8370 | |
| 709 | G | B | -0.8486 | |
| 710 | G | B | -0.3810 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.9550 | |
| 713 | F | B | -0.6550 | |
| 714 | N | B | -1.4178 | |
| 715 | L | B | -0.4476 | |
| 716 | S | B | -0.1805 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.4242 | |
| 719 | T | B | -0.9890 | |
| 720 | E | B | -2.0375 | |
| 721 | H | B | -1.4154 | |
| 722 | S | B | -1.3875 | |
| 723 | G | B | -0.8226 | |
| 724 | I | B | -0.1138 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.4331 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4282 | |
| 731 | N | B | -0.8823 | |
| 732 | G | B | -0.8236 | |
| 733 | L | B | -0.7608 | |
| 734 | E | B | -1.9100 | |
| 735 | A | B | -1.7497 | |
| 736 | Q | B | -2.3371 | |
| 737 | R | B | -1.8937 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.5626 | |
| 740 | M | B | 0.2523 | |
| 741 | V | B | 0.7222 | |
| 742 | T | B | 0.0426 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.8706 | |
| 745 | V | B | -0.9455 | |
| 746 | A | B | -0.1720 | |
| 747 | V | B | -0.0221 | |
| 748 | P | B | -0.5393 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.3560 | |
| 751 | R | B | -2.3590 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.4063 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.4570 | |
| 756 | L | B | 0.0000 | |
| 757 | R | B | -2.0771 | |
| 758 | A | B | -1.1952 | |
| 759 | P | B | -0.8132 | |
| 760 | G | B | -1.0166 | |
| 761 | T | B | -0.4615 | |
| 762 | H | B | -0.5533 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.3108 | |
| 765 | V | B | 0.6737 | |
| 766 | G | B | 0.0152 | |
| 767 | D | B | 0.1177 | |
| 768 | L | B | 0.8573 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.0993 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.8373 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.6241 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.2378 | |
| 777 | R | B | -1.5980 | |
| 778 | G | B | -0.7193 | |
| 779 | S | B | -0.2407 | |
| 780 | P | B | 0.1104 | |
| 781 | L | B | 0.9810 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.5790 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.7679 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | 0.0000 | |
| 788 | H | B | -1.1115 | |
| 789 | E | B | -2.3771 | |
| 790 | D | B | -1.8920 | |
| 791 | V | B | 0.3728 | |
| 792 | T | B | -0.1299 | |
| 793 | L | B | -0.0770 | |
| 794 | G | B | -0.9966 | |
| 795 | N | B | -2.3854 | |
| 796 | R | B | -2.6067 | |
| 797 | S | B | -1.1590 | |
| 798 | S | B | -0.5050 | |
| 799 | P | B | -0.0285 | |
| 800 | S | B | -0.5468 | |
| 801 | G | B | -0.7544 | |
| 802 | G | B | 0.0000 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.2377 | |
| 805 | L | B | -1.0488 | |
| 806 | N | B | -0.8616 | |
| 807 | L | B | -0.1629 | |
| 808 | S | B | 0.0335 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.4028 | |
| 811 | A | B | -0.3554 | |
| 812 | E | B | -1.8210 | |
| 813 | H | B | -1.0400 | |
| 814 | S | B | -0.7039 | |
| 815 | G | B | -0.7962 | |
| 816 | N | B | -1.3363 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.4338 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.8447 | |
| 823 | N | B | -0.1407 | |
| 824 | G | B | -0.2893 | |
| 825 | L | B | -0.0424 | |
| 826 | G | B | -0.4887 | |
| 827 | A | B | -0.9529 | |
| 828 | Q | B | -1.6560 | |
| 829 | R | B | -1.7771 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -1.9067 | |
| 832 | T | B | -1.1153 | |
| 833 | V | B | -0.2600 | |
| 834 | T | B | -0.2088 | |
| 835 | L | B | 0.0000 | |
| 836 | Y | B | 0.8399 | |
| 837 | I | B | 0.4811 | |
| 838 | T | B | 0.4782 | |
| 839 | G | B | 0.4827 | |
| 840 | L | B | 1.3244 | |
| 841 | T | B | 0.1060 | |
| 842 | A | B | -0.6984 | |
| 843 | N | B | -2.1874 | |
| 844 | R | B | -2.7678 | |
| 845 | S | B | -1.4932 | |
| 846 | G | B | -0.6783 | |
| 847 | P | B | 0.2518 | |
| 848 | F | B | 1.6089 | |
| 849 | A | B | 0.9735 | |
| 850 | T | B | 0.5904 | |
| 851 | G | B | 0.6181 | |
| 852 | V | B | 1.4117 | |
| 853 | A | B | 0.5930 | |
| 854 | G | B | 0.2095 | |
| 855 | G | B | 0.5557 | |
| 856 | L | B | 2.2410 | |
| 857 | L | B | 2.6674 | |
| 858 | S | B | 1.9562 | |
| 859 | I | B | 2.3924 | |
| 860 | A | B | 1.3137 | |
| 861 | G | B | 0.8276 | |
| 862 | L | B | 1.3229 | |
| 863 | A | B | 0.7155 | |
| 864 | A | B | 0.3281 | |
| 865 | G | B | 0.1115 | |
| 866 | A | B | 1.0780 | |
| 867 | L | B | 2.6005 | |
| 868 | L | B | 3.4338 | |
| 869 | L | B | 3.5588 | |
| 870 | Y | B | 3.1647 | |
| 871 | C | B | 2.7419 | |
| 872 | W | B | 2.5978 | |
| 873 | L | B | 1.5571 | |
| 874 | S | B | -0.3392 | |
| 875 | R | B | -2.6122 | |
| 876 | K | B | -2.7296 | |
| 877 | A | B | -1.8679 | |
| 878 | G | B | -2.2844 | |
| 879 | R | B | -3.0406 | |
| 880 | K | B | -2.9177 | |
| 881 | P | B | -1.4950 | |
| 882 | A | B | -0.9180 | |
| 883 | S | B | -1.3304 | |
| 884 | D | B | -2.0165 | |
| 885 | P | B | -1.5638 | |
| 886 | A | B | -1.4128 | |
| 887 | R | B | -2.0425 | |
| 888 | S | B | -1.3939 | |
| 889 | P | B | -1.3050 | |
| 890 | S | B | -1.3416 | |
| 891 | D | B | -2.5021 | |
| 892 | S | B | -2.2449 | |
| 893 | D | B | -2.8668 | |
| 894 | S | B | -2.4397 | |
| 895 | Q | B | -2.7884 | |
| 896 | E | B | -2.8738 | |
| 897 | P | B | -1.2124 | |
| 898 | T | B | -0.1892 | |
| 899 | Y | B | 0.4495 | |
| 900 | H | B | -0.7145 | |
| 901 | N | B | -0.7562 | |
| 902 | V | B | 0.8201 | |
| 903 | P | B | 0.7559 | |
| 904 | A | B | 0.4988 | |
| 905 | W | B | -0.2810 | |
| 906 | E | B | -1.7481 | |
| 907 | E | B | -1.9534 | |
| 908 | L | B | -0.1854 | |
| 909 | Q | B | -0.5854 | |
| 910 | P | B | 0.6313 | |
| 911 | V | B | 2.0289 | |
| 912 | Y | B | 1.7741 | |
| 913 | T | B | 0.2875 | |
| 914 | N | B | -1.1141 | |
| 915 | A | B | -1.1357 | |
| 916 | N | B | -2.1745 | |
| 917 | P | B | -2.2076 | |
| 918 | R | B | -2.8961 | |
| 919 | G | B | -2.8126 | |
| 920 | E | B | -2.5095 | |
| 921 | N | B | -0.7691 | |
| 922 | V | B | 1.8924 | |
| 923 | V | B | 2.4719 | |
| 924 | Y | B | 2.0695 | |
| 925 | S | B | 0.4447 | |
| 926 | E | B | -0.8143 | |
| 927 | V | B | 0.8436 | |
| 928 | R | B | -0.1267 | |
| 929 | I | B | 1.8373 | |
| 930 | I | B | 1.4565 | |
| 931 | Q | B | -1.4575 | |
| 932 | E | B | -3.0958 | |
| 933 | K | B | -4.0456 | |
| 934 | K | B | -4.2197 | |
| 935 | K | B | -3.4476 | |
| 936 | H | B | -2.0076 | |
| 937 | A | B | -0.2247 | |
| 938 | V | B | 1.1818 | |
| 939 | A | B | 0.2971 | |
| 940 | S | B | -0.8494 | |
| 941 | D | B | -2.4155 | |
| 942 | P | B | -2.0579 | |
| 943 | R | B | -2.7513 | |
| 944 | H | B | -2.0053 | |
| 945 | L | B | -0.7811 | |
| 946 | R | B | -2.6769 | |
| 947 | N | B | -2.9228 | |
| 948 | K | B | -2.9313 | |
| 949 | G | B | -1.7556 | |
| 950 | S | B | -0.4307 | |
| 951 | P | B | 1.0227 | |
| 952 | I | B | 3.0403 | |
| 953 | I | B | 3.2603 | |
| 954 | Y | B | 2.3710 | |
| 955 | S | B | 0.6012 | |
| 956 | E | B | -0.7258 | |
| 957 | V | B | 0.6095 | |
| 958 | K | B | -0.5429 | |
| 959 | V | B | 1.1066 | |
| 960 | A | B | 0.5280 | |
| 961 | S | B | 0.1871 | |
| 962 | T | B | 0.3594 | |
| 963 | P | B | 0.4211 | |
| 964 | V | B | 1.3661 | |
| 965 | S | B | 0.3036 | |
| 966 | G | B | 0.0793 | |
| 967 | S | B | 0.8874 | |
| 968 | L | B | 2.6746 | |
| 969 | F | B | 3.4265 | |
| 970 | L | B | 2.8731 | |
| 971 | A | B | 1.3143 | |
| 972 | S | B | 0.0383 | |
| 973 | S | B | -0.4488 | |
| 974 | A | B | -0.6373 | |
| 975 | P | B | -1.2096 | |
| 976 | H | B | -2.0875 | |
| 977 | R | B | -2.4140 |
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 | -0.4584 | 7.0146 | View | CSV | PDB |
| 4.5 | -0.523 | 7.0146 | View | CSV | PDB |
| 5.0 | -0.6051 | 7.0146 | View | CSV | PDB |
| 5.5 | -0.6896 | 7.0146 | View | CSV | PDB |
| 6.0 | -0.7607 | 7.0146 | View | CSV | PDB |
| 6.5 | -0.8064 | 7.0146 | View | CSV | PDB |
| 7.0 | -0.8251 | 7.0146 | View | CSV | PDB |
| 7.5 | -0.8263 | 7.0146 | View | CSV | PDB |
| 8.0 | -0.8194 | 7.0146 | View | CSV | PDB |
| 8.5 | -0.8076 | 7.0146 | View | CSV | PDB |
| 9.0 | -0.7906 | 7.0146 | 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