| Chain sequence(s) |
A: DGTVVFELSPEQKALVAELEALLAQLSPEQREALLRELGEKVDEIAEKLRAGEISPEEAQAKYAELLEETLARARALVAA
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 (00:09:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b7d46c1cbb8952a/tmp/folded.pdb (00:09:34)
[INFO] Main: Simulation completed successfully. (00:14:27)
|
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 | D | A | -1.9151 | |
| 2 | G | A | -1.3734 | |
| 3 | T | A | -0.9330 | |
| 4 | V | A | 0.0000 | |
| 5 | V | A | -0.0515 | |
| 6 | F | A | 0.0000 | |
| 7 | E | A | -0.7412 | |
| 8 | L | A | 0.0000 | |
| 9 | S | A | -1.2126 | |
| 10 | P | A | -1.4461 | |
| 11 | E | A | -2.0928 | |
| 12 | Q | A | -1.6110 | |
| 13 | K | A | -1.2428 | |
| 14 | A | A | -1.1580 | |
| 15 | L | A | -1.2800 | |
| 16 | V | A | -1.1229 | |
| 17 | A | A | -1.1105 | |
| 18 | E | A | -1.4035 | |
| 19 | L | A | 0.0000 | |
| 20 | E | A | -2.1227 | |
| 21 | A | A | -1.2939 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | -1.1438 | |
| 25 | Q | A | -1.5436 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | -1.4036 | |
| 28 | P | A | -1.8892 | |
| 29 | E | A | -2.6611 | |
| 30 | Q | A | -2.1494 | |
| 31 | R | A | -2.4794 | |
| 32 | E | A | -2.0843 | |
| 33 | A | A | -1.8633 | |
| 34 | L | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | R | A | -2.3533 | |
| 37 | E | A | -3.1554 | |
| 38 | L | A | 0.0000 | |
| 39 | G | A | 0.0000 | |
| 40 | E | A | -3.1017 | |
| 41 | K | A | -3.4295 | |
| 42 | V | A | 0.0000 | |
| 43 | D | A | 0.0000 | |
| 44 | E | A | -3.1499 | |
| 45 | I | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -2.5016 | |
| 48 | K | A | -2.2800 | |
| 49 | L | A | -1.9149 | |
| 50 | R | A | -1.7860 | |
| 51 | A | A | -1.2976 | |
| 52 | G | A | -1.6195 | |
| 53 | E | A | -2.4701 | |
| 54 | I | A | -1.9868 | |
| 55 | S | A | -1.8327 | |
| 56 | P | A | -2.0191 | |
| 57 | E | A | -2.8938 | |
| 58 | E | A | -3.0358 | |
| 59 | A | A | 0.0000 | |
| 60 | Q | A | -1.9566 | |
| 61 | A | A | -2.0717 | |
| 62 | K | A | -2.5749 | |
| 63 | Y | A | 0.0000 | |
| 64 | A | A | -2.1214 | |
| 65 | E | A | -3.2304 | |
| 66 | L | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | E | A | -3.6355 | |
| 69 | E | A | -3.7872 | |
| 70 | T | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | A | A | -2.3167 | |
| 73 | R | A | -2.7812 | |
| 74 | A | A | 0.0000 | |
| 75 | R | A | -1.9150 | |
| 76 | A | A | -0.8424 | |
| 77 | L | A | -0.5230 | |
| 78 | V | A | -0.2431 | |
| 79 | A | A | -0.0497 | |
| 80 | A | A | 0.2197 | |
| 1 | M | B | 2.3979 | |
| 2 | L | B | 3.4064 | |
| 3 | L | B | 4.0180 | |
| 4 | W | B | 4.2546 | |
| 5 | V | B | 4.7531 | |
| 6 | I | B | 4.9941 | |
| 7 | L | B | 4.8540 | |
| 8 | L | B | 4.6074 | |
| 9 | V | B | 4.0937 | |
| 10 | L | B | 3.4358 | |
| 11 | A | B | 2.0083 | |
| 12 | P | B | 1.2407 | |
| 13 | V | B | 1.5007 | |
| 14 | S | B | 0.3113 | |
| 15 | G | B | -0.0062 | |
| 16 | Q | B | -0.5466 | |
| 17 | F | B | 0.6173 | |
| 18 | A | B | -0.3564 | |
| 19 | R | B | -1.7089 | |
| 20 | T | B | -1.2364 | |
| 21 | P | B | -1.4921 | |
| 22 | R | B | -2.0704 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.6038 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | -0.0526 | |
| 27 | L | B | 0.0000 | |
| 28 | Q | B | -1.6760 | |
| 29 | P | B | -1.1801 | |
| 30 | P | B | -0.4809 | |
| 31 | W | B | 0.0000 | |
| 32 | T | B | -0.6050 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.5144 | |
| 37 | G | B | -2.1575 | |
| 38 | E | B | -2.3740 | |
| 39 | R | B | -3.3761 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.3366 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.3403 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -1.1338 | |
| 46 | G | B | -0.9168 | |
| 47 | F | B | 0.0224 | |
| 48 | R | B | -0.9371 | |
| 49 | F | B | -0.0564 | |
| 50 | Y | B | 0.8399 | |
| 51 | S | B | -0.2564 | |
| 52 | P | B | -0.7520 | |
| 53 | Q | B | -1.4217 | |
| 54 | K | B | -2.4328 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -2.3021 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -1.4270 | |
| 59 | H | B | -1.9304 | |
| 60 | R | B | -2.2370 | |
| 61 | Y | B | -0.6235 | |
| 62 | L | B | 0.5735 | |
| 63 | G | B | -1.0499 | |
| 64 | K | B | -2.3400 | |
| 65 | E | B | -2.7494 | |
| 66 | I | B | -1.2583 | |
| 67 | L | B | -1.4116 | |
| 68 | R | B | -2.6344 | |
| 69 | E | B | -3.0931 | |
| 70 | T | B | -2.0152 | |
| 71 | P | B | -1.5552 | |
| 72 | D | B | -1.5026 | |
| 73 | N | B | 0.0000 | |
| 74 | I | B | -0.2720 | |
| 75 | L | B | -0.8231 | |
| 76 | E | B | -2.0572 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.0624 | |
| 79 | E | B | -2.9102 | |
| 80 | S | B | -1.6525 | |
| 81 | G | B | -1.5204 | |
| 82 | E | B | -1.4896 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.8772 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.6241 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -1.7899 | |
| 89 | G | B | -1.1887 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -1.1347 | |
| 92 | L | B | -0.6806 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.7864 | |
| 95 | P | B | -0.7358 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.4980 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.1140 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.2554 | |
| 102 | S | B | -0.8781 | |
| 103 | A | B | -0.4049 | |
| 104 | S | B | -0.5116 | |
| 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 | 0.0166 | |
| 111 | L | B | -0.0428 | |
| 112 | S | B | -0.4325 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -0.9424 | |
| 116 | G | B | -0.7375 | |
| 117 | D | B | -1.0261 | |
| 118 | S | B | -0.8735 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.2895 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -1.1057 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -0.9346 | |
| 125 | A | B | -0.6239 | |
| 126 | K | B | -0.9717 | |
| 127 | A | B | -0.9962 | |
| 128 | E | B | -1.7274 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.2790 | |
| 131 | L | B | -1.9535 | |
| 132 | N | B | -2.0907 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.3533 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.1911 | |
| 137 | K | B | -1.5763 | |
| 138 | N | B | -2.6219 | |
| 139 | D | B | -2.6469 | |
| 140 | N | B | -1.6178 | |
| 141 | V | B | 1.0595 | |
| 142 | L | B | 1.1425 | |
| 143 | A | B | 1.5118 | |
| 144 | F | B | 1.3440 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.5049 | |
| 147 | K | B | -3.2602 | |
| 148 | R | B | -3.1149 | |
| 149 | T | B | -2.0825 | |
| 150 | D | B | -1.3690 | |
| 151 | F | B | -0.4136 | |
| 152 | H | B | -0.9748 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.8205 | |
| 155 | H | B | -0.9481 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | 0.0000 | |
| 158 | L | B | -0.0334 | |
| 159 | K | B | -1.3678 | |
| 160 | D | B | -1.3001 | |
| 161 | N | B | -1.6539 | |
| 162 | G | B | -1.8724 | |
| 163 | A | B | -2.1018 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.1541 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | -0.0625 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | -0.2777 | |
| 170 | K | B | -1.2761 | |
| 171 | E | B | -1.9601 | |
| 172 | S | B | -0.8649 | |
| 173 | C | B | 0.2676 | |
| 174 | C | B | 0.3906 | |
| 175 | P | B | -0.0390 | |
| 176 | V | B | 0.2862 | |
| 177 | S | B | -0.1438 | |
| 178 | S | B | -0.3908 | |
| 179 | N | B | -0.7896 | |
| 180 | T | B | -1.1090 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.3486 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.9954 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.4118 | |
| 187 | E | B | -1.7702 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.4795 | |
| 191 | R | B | -1.9680 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.8833 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.3244 | |
| 196 | A | B | -0.8792 | |
| 197 | S | B | -0.6395 | |
| 198 | S | B | -0.5010 | |
| 199 | F | B | -0.0255 | |
| 200 | Q | B | -0.7994 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.2982 | |
| 203 | S | B | 0.0708 | |
| 204 | G | B | -0.1254 | |
| 205 | N | B | -0.7752 | |
| 206 | P | B | -0.7640 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -0.8638 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.2969 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -2.0573 | |
| 213 | T | B | -1.3352 | |
| 214 | Q | B | -1.1718 | |
| 215 | L | B | -1.1810 | |
| 216 | S | B | -0.9547 | |
| 217 | L | B | -0.8621 | |
| 218 | E | B | -0.9995 | |
| 219 | R | B | -1.7176 | |
| 220 | S | B | -1.4864 | |
| 221 | D | B | -2.0991 | |
| 222 | V | B | -0.9815 | |
| 223 | P | B | -0.4349 | |
| 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 | 0.0000 | |
| 230 | R | B | -1.4114 | |
| 231 | D | B | -2.0315 | |
| 232 | D | B | -2.7356 | |
| 233 | Q | B | -2.3716 | |
| 234 | T | B | -1.0965 | |
| 235 | L | B | -0.4137 | |
| 236 | G | B | 0.1578 | |
| 237 | L | B | 1.1076 | |
| 238 | G | B | -0.1743 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | 0.2806 | |
| 241 | L | B | 0.8127 | |
| 242 | S | B | 0.1504 | |
| 243 | P | B | -0.5805 | |
| 244 | N | B | -1.3061 | |
| 245 | F | B | -0.7153 | |
| 246 | Q | B | -1.2571 | |
| 247 | I | B | -0.6140 | |
| 248 | T | B | -0.5409 | |
| 249 | A | B | -0.3037 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | 0.2448 | |
| 252 | S | B | -0.4088 | |
| 253 | K | B | -1.5686 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.5096 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.0631 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | 0.0000 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | -0.0283 | |
| 266 | P | B | 0.0000 | |
| 267 | Y | B | 0.0000 | |
| 268 | S | B | -0.0226 | |
| 269 | V | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | D | B | 0.0000 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -1.0569 | |
| 275 | R | B | -1.1400 | |
| 276 | S | B | -0.1533 | |
| 277 | W | B | 0.7140 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.4150 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | 0.2142 | |
| 282 | I | B | 1.1476 | |
| 283 | P | B | 0.1627 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -0.9426 | |
| 286 | H | B | -1.5247 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8839 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.0816 | |
| 291 | L | B | -0.7982 | |
| 292 | S | B | -1.4675 | |
| 293 | P | B | -1.7024 | |
| 294 | E | B | -2.5500 | |
| 295 | K | B | -2.2487 | |
| 296 | A | B | -0.8432 | |
| 297 | L | B | 0.9595 | |
| 298 | N | B | -0.0231 | |
| 299 | F | B | 0.7326 | |
| 300 | E | B | -0.5484 | |
| 301 | G | B | -0.7586 | |
| 302 | T | B | -0.7069 | |
| 303 | K | B | -1.9218 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.8054 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | 0.0213 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.7558 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.7836 | |
| 312 | E | B | -1.6036 | |
| 313 | D | B | -1.4329 | |
| 314 | S | B | -0.6360 | |
| 315 | L | B | 0.3642 | |
| 316 | R | B | -0.9716 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.4817 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.7497 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.4741 | |
| 323 | H | B | -0.5932 | |
| 324 | E | B | -1.6998 | |
| 325 | G | B | -0.4360 | |
| 326 | V | B | 0.8596 | |
| 327 | P | B | -0.2743 | |
| 328 | L | B | -1.2047 | |
| 329 | R | B | -2.4007 | |
| 330 | H | B | -2.2365 | |
| 331 | K | B | -2.3262 | |
| 332 | S | B | -1.0161 | |
| 333 | V | B | 0.6902 | |
| 334 | R | B | -0.5543 | |
| 335 | C | B | -0.8234 | |
| 336 | E | B | -2.0998 | |
| 337 | R | B | -1.8596 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | -0.3982 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.7829 | |
| 343 | F | B | 0.0000 | |
| 344 | S | B | -1.0576 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0835 | |
| 347 | T | B | -1.1331 | |
| 348 | E | B | -2.0511 | |
| 349 | N | B | -1.5820 | |
| 350 | S | B | -1.3219 | |
| 351 | G | B | -1.3186 | |
| 352 | N | B | -1.4956 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.4017 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | -0.8229 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.9824 | |
| 359 | N | B | -0.5747 | |
| 360 | G | B | -0.7176 | |
| 361 | L | B | -0.0481 | |
| 362 | G | B | -0.6322 | |
| 363 | A | B | -0.8087 | |
| 364 | K | B | -1.3617 | |
| 365 | P | B | -1.0909 | |
| 366 | S | B | -0.7221 | |
| 367 | K | B | -1.4880 | |
| 368 | A | B | -0.7643 | |
| 369 | V | B | -0.0712 | |
| 370 | S | B | -0.7033 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.4103 | |
| 373 | V | B | 0.0000 | |
| 374 | T | B | 0.4015 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.3480 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.6971 | |
| 379 | H | B | -2.2286 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.3261 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.5977 | |
| 384 | L | B | -0.0795 | |
| 385 | S | B | -0.9436 | |
| 386 | S | B | -1.2906 | |
| 387 | P | B | -1.5004 | |
| 388 | E | B | -2.1066 | |
| 389 | D | B | -1.9701 | |
| 390 | L | B | -0.3587 | |
| 391 | I | B | -0.3040 | |
| 392 | F | B | -0.0787 | |
| 393 | E | B | -0.8364 | |
| 394 | G | B | -0.9338 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0594 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6167 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3950 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -0.9920 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -2.1545 | |
| 405 | R | B | -2.2768 | |
| 406 | G | B | -1.0467 | |
| 407 | S | B | -0.2465 | |
| 408 | L | B | 0.0781 | |
| 409 | P | B | -0.2774 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.5422 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | -1.6973 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.1429 | |
| 416 | H | B | -1.2698 | |
| 417 | E | B | -2.3855 | |
| 418 | G | B | -1.3883 | |
| 419 | A | B | -0.6312 | |
| 420 | A | B | -0.8112 | |
| 421 | L | B | -0.8206 | |
| 422 | E | B | -2.7299 | |
| 423 | R | B | -3.0943 | |
| 424 | R | B | -2.4962 | |
| 425 | S | B | -1.2301 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3123 | |
| 428 | S | B | -0.7444 | |
| 429 | A | B | -0.8511 | |
| 430 | G | B | -0.8464 | |
| 431 | G | B | -0.7461 | |
| 432 | V | B | -0.5647 | |
| 433 | A | B | -0.7372 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4789 | |
| 436 | F | B | -0.4274 | |
| 437 | S | B | -0.9848 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0776 | |
| 440 | A | B | -1.1098 | |
| 441 | E | B | -2.0466 | |
| 442 | H | B | -1.5788 | |
| 443 | S | B | -1.3276 | |
| 444 | G | B | -1.3504 | |
| 445 | N | B | -1.6208 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.1077 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | 0.0000 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.6738 | |
| 452 | N | B | -0.1705 | |
| 453 | G | B | -0.1877 | |
| 454 | F | B | 0.5758 | |
| 455 | G | B | -0.4270 | |
| 456 | P | B | -1.0657 | |
| 457 | Q | B | -1.6758 | |
| 458 | R | B | -2.5200 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0509 | |
| 461 | A | B | -1.2422 | |
| 462 | V | B | -0.2810 | |
| 463 | S | B | -0.7126 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4600 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.0908 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.6086 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.4602 | |
| 472 | H | B | -2.0551 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.2642 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.2755 | |
| 477 | L | B | 0.3543 | |
| 478 | S | B | -0.2105 | |
| 479 | S | B | -0.4648 | |
| 480 | A | B | -0.6748 | |
| 481 | E | B | -1.2650 | |
| 482 | A | B | -0.3425 | |
| 483 | L | B | 0.4726 | |
| 484 | T | B | 0.3981 | |
| 485 | F | B | 0.0601 | |
| 486 | E | B | -0.9510 | |
| 487 | G | B | -0.9200 | |
| 488 | A | B | -0.5264 | |
| 489 | T | B | -0.5154 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | 0.0066 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.4521 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -1.4641 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.0608 | |
| 498 | R | B | -1.9445 | |
| 499 | G | B | -1.2546 | |
| 500 | S | B | -0.7976 | |
| 501 | P | B | -1.2217 | |
| 502 | Q | B | -1.4686 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.0493 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.1586 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.4389 | |
| 509 | H | B | 0.0000 | |
| 510 | E | B | -2.4576 | |
| 511 | D | B | -2.2461 | |
| 512 | M | B | -0.3871 | |
| 513 | P | B | -0.1578 | |
| 514 | L | B | 0.3768 | |
| 515 | W | B | 0.6743 | |
| 516 | S | B | 0.2019 | |
| 517 | S | B | 0.0784 | |
| 518 | S | B | -0.4507 | |
| 519 | T | B | -0.6842 | |
| 520 | P | B | -0.7653 | |
| 521 | S | B | -0.8173 | |
| 522 | V | B | -0.8851 | |
| 523 | G | B | -1.4395 | |
| 524 | R | B | -2.1096 | |
| 525 | V | B | 0.0000 | |
| 526 | S | B | -0.5228 | |
| 527 | F | B | 0.3038 | |
| 528 | S | B | 0.0257 | |
| 529 | F | B | -0.0051 | |
| 530 | S | B | -0.4052 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.4284 | |
| 533 | E | B | -2.0205 | |
| 534 | G | B | -1.3349 | |
| 535 | H | B | -1.0772 | |
| 536 | S | B | -0.5314 | |
| 537 | G | B | -0.5519 | |
| 538 | N | B | -0.8810 | |
| 539 | Y | B | 0.0000 | |
| 540 | Y | B | 0.0000 | |
| 541 | C | B | 0.0000 | |
| 542 | T | B | -1.1843 | |
| 543 | A | B | 0.0000 | |
| 544 | D | B | -1.0213 | |
| 545 | N | B | -0.7953 | |
| 546 | G | B | -0.5781 | |
| 547 | F | B | 0.0994 | |
| 548 | G | B | -0.5396 | |
| 549 | P | B | -1.0936 | |
| 550 | Q | B | -1.6462 | |
| 551 | R | B | -2.3797 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.4640 | |
| 554 | V | B | -0.0162 | |
| 555 | V | B | 0.4241 | |
| 556 | S | B | 0.3462 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5277 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.1200 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.3086 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.4186 | |
| 565 | R | B | -2.5249 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4765 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.0392 | |
| 570 | L | B | -0.7531 | |
| 571 | R | B | -2.0106 | |
| 572 | V | B | -1.1379 | |
| 573 | P | B | -1.3539 | |
| 574 | R | B | -2.3290 | |
| 575 | A | B | -1.5718 | |
| 576 | Q | B | -1.5863 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.2261 | |
| 580 | G | B | 0.0769 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1522 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.2762 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -0.9640 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.6207 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.4777 | |
| 591 | R | B | -2.0453 | |
| 592 | G | B | -1.2610 | |
| 593 | S | B | -0.9016 | |
| 594 | P | B | -0.8533 | |
| 595 | P | B | -0.7090 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0699 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2678 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.2078 | |
| 602 | H | B | 0.0000 | |
| 603 | E | B | -2.2903 | |
| 604 | D | B | -1.8189 | |
| 605 | V | B | 0.4407 | |
| 606 | T | B | 0.3508 | |
| 607 | L | B | 0.3432 | |
| 608 | G | B | 0.2616 | |
| 609 | S | B | 0.1364 | |
| 610 | S | B | -0.1894 | |
| 611 | S | B | -0.5305 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.6048 | |
| 614 | S | B | -0.8222 | |
| 615 | G | B | -1.3355 | |
| 616 | G | B | -1.8920 | |
| 617 | E | B | -2.2386 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -0.9225 | |
| 620 | F | B | -0.4160 | |
| 621 | N | B | -1.2447 | |
| 622 | L | B | -0.3161 | |
| 623 | S | B | -0.1184 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.4095 | |
| 626 | A | B | -0.7408 | |
| 627 | E | B | -1.8742 | |
| 628 | H | B | -1.2697 | |
| 629 | S | B | -1.0619 | |
| 630 | G | B | -1.1911 | |
| 631 | N | B | -1.6393 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.9244 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9179 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.4233 | |
| 638 | N | B | -0.2767 | |
| 639 | G | B | -0.0284 | |
| 640 | L | B | 0.8802 | |
| 641 | V | B | 1.4984 | |
| 642 | A | B | 0.0117 | |
| 643 | Q | B | -1.3840 | |
| 644 | H | B | -1.6829 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.8903 | |
| 647 | T | B | -0.9959 | |
| 648 | I | B | -0.2942 | |
| 649 | S | B | -0.4021 | |
| 650 | L | B | -0.2254 | |
| 651 | S | B | -0.6387 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.1455 | |
| 654 | V | B | 0.0500 | |
| 655 | P | B | -0.8595 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5677 | |
| 658 | R | B | -2.5878 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.2579 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.3277 | |
| 663 | F | B | -1.0565 | |
| 664 | R | B | -2.4468 | |
| 665 | A | B | -1.6513 | |
| 666 | P | B | -1.5167 | |
| 667 | R | B | -2.3421 | |
| 668 | A | B | -1.5124 | |
| 669 | Q | B | -1.6301 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.2674 | |
| 673 | G | B | 0.1134 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | 0.0768 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.9974 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.9942 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.7458 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | 0.2899 | |
| 684 | R | B | -1.4295 | |
| 685 | G | B | -0.9064 | |
| 686 | S | B | -0.6516 | |
| 687 | S | B | -0.8375 | |
| 688 | P | B | -0.7663 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3960 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4682 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | 0.0009 | |
| 695 | H | B | -0.1880 | |
| 696 | E | B | -1.1534 | |
| 697 | D | B | -1.3808 | |
| 698 | V | B | 0.5924 | |
| 699 | T | B | 0.1665 | |
| 700 | L | B | 0.0820 | |
| 701 | G | B | -0.2460 | |
| 702 | K | B | -1.2420 | |
| 703 | I | B | -0.2323 | |
| 704 | S | B | -0.4551 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5836 | |
| 707 | S | B | -0.6354 | |
| 708 | G | B | -0.8077 | |
| 709 | G | B | -0.7919 | |
| 710 | G | B | -0.3792 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -1.0812 | |
| 713 | F | B | -0.7632 | |
| 714 | N | B | -1.4887 | |
| 715 | L | B | -0.4665 | |
| 716 | S | B | -0.1317 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.4493 | |
| 719 | T | B | -1.0497 | |
| 720 | E | B | -2.0623 | |
| 721 | H | B | -1.3870 | |
| 722 | S | B | -1.3841 | |
| 723 | G | B | -0.7484 | |
| 724 | I | B | -0.1925 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.6205 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4825 | |
| 731 | N | B | -0.9312 | |
| 732 | G | B | -0.9152 | |
| 733 | L | B | -1.0383 | |
| 734 | E | B | -2.1209 | |
| 735 | A | B | -1.8490 | |
| 736 | Q | B | -2.5001 | |
| 737 | R | B | -2.5438 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -1.5943 | |
| 740 | M | B | 0.2781 | |
| 741 | V | B | 0.4054 | |
| 742 | T | B | -0.1521 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9689 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | 0.0000 | |
| 747 | V | B | -0.1365 | |
| 748 | P | B | -0.4852 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -0.9445 | |
| 751 | R | B | -1.4861 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.2185 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.7442 | |
| 756 | L | B | 0.0000 | |
| 757 | R | B | -2.2472 | |
| 758 | A | B | -1.2477 | |
| 759 | P | B | -0.8518 | |
| 760 | G | B | -0.8853 | |
| 761 | T | B | -0.4778 | |
| 762 | H | B | -0.6583 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.5798 | |
| 765 | V | B | 1.1828 | |
| 766 | G | B | 0.2740 | |
| 767 | D | B | 0.0800 | |
| 768 | L | B | 0.7883 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3326 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.9811 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.6609 | |
| 775 | A | B | 0.0000 | |
| 776 | L | B | 0.3395 | |
| 777 | R | B | -1.4613 | |
| 778 | G | B | -0.6001 | |
| 779 | S | B | -0.2324 | |
| 780 | P | B | 0.2067 | |
| 781 | L | B | 1.1264 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.1781 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.0715 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | -0.5101 | |
| 788 | H | B | -1.0006 | |
| 789 | E | B | -2.3318 | |
| 790 | D | B | -1.8114 | |
| 791 | V | B | 0.4401 | |
| 792 | T | B | 0.1250 | |
| 793 | L | B | 0.1499 | |
| 794 | G | B | -0.5614 | |
| 795 | N | B | -1.5958 | |
| 796 | R | B | -1.8303 | |
| 797 | S | B | -0.7110 | |
| 798 | S | B | -0.3595 | |
| 799 | P | B | 0.0480 | |
| 800 | S | B | -0.5383 | |
| 801 | G | B | -0.7596 | |
| 802 | G | B | 0.0000 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.2775 | |
| 805 | L | B | 0.0000 | |
| 806 | N | B | -1.1460 | |
| 807 | L | B | -0.2179 | |
| 808 | S | B | 0.0502 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.2435 | |
| 811 | A | B | -0.2665 | |
| 812 | E | B | -1.7101 | |
| 813 | H | B | -0.9877 | |
| 814 | S | B | -0.6074 | |
| 815 | G | B | -0.8379 | |
| 816 | N | B | -1.5242 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.2188 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -0.6026 | |
| 823 | N | B | -0.0768 | |
| 824 | G | B | -0.3038 | |
| 825 | L | B | -0.2220 | |
| 826 | G | B | -0.5491 | |
| 827 | A | B | -0.8825 | |
| 828 | Q | B | -1.5498 | |
| 829 | R | B | -1.6860 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -2.0070 | |
| 832 | T | B | -1.1569 | |
| 833 | V | B | -0.2715 | |
| 834 | T | B | -0.2509 | |
| 835 | L | B | 0.0000 | |
| 836 | Y | B | 0.8261 | |
| 837 | I | B | 0.3737 | |
| 838 | T | B | 0.5837 | |
| 839 | G | B | 0.6818 | |
| 840 | L | B | 1.4683 | |
| 841 | T | B | 0.3195 | |
| 842 | A | B | -0.6479 | |
| 843 | N | B | -2.2775 | |
| 844 | R | B | -2.7106 | |
| 845 | S | B | -1.6865 | |
| 846 | G | B | -0.7221 | |
| 847 | P | B | 0.4522 | |
| 848 | F | B | 1.7340 | |
| 849 | A | B | 0.8749 | |
| 850 | T | B | 0.5740 | |
| 851 | G | B | 0.4232 | |
| 852 | V | B | 1.4534 | |
| 853 | A | B | 0.5968 | |
| 854 | G | B | 0.0192 | |
| 855 | G | B | 0.3565 | |
| 856 | L | B | 2.0024 | |
| 857 | L | B | 2.6092 | |
| 858 | S | B | 2.0343 | |
| 859 | I | B | 2.1549 | |
| 860 | A | B | 1.1037 | |
| 861 | G | B | 0.8135 | |
| 862 | L | B | 1.3708 | |
| 863 | A | B | 0.6807 | |
| 864 | A | B | 0.3149 | |
| 865 | G | B | 0.1270 | |
| 866 | A | B | 1.1915 | |
| 867 | L | B | 2.8710 | |
| 868 | L | B | 3.5275 | |
| 869 | L | B | 3.6560 | |
| 870 | Y | B | 3.6122 | |
| 871 | C | B | 2.9972 | |
| 872 | W | B | 2.4951 | |
| 873 | L | B | 1.7672 | |
| 874 | S | B | -0.3080 | |
| 875 | R | B | -2.4023 | |
| 876 | K | B | -2.6915 | |
| 877 | A | B | -2.0386 | |
| 878 | G | B | -2.0930 | |
| 879 | R | B | -2.9604 | |
| 880 | K | B | -2.8289 | |
| 881 | P | B | -1.5536 | |
| 882 | A | B | -0.9426 | |
| 883 | S | B | -1.1795 | |
| 884 | D | B | -2.0095 | |
| 885 | P | B | -1.6593 | |
| 886 | A | B | -1.4260 | |
| 887 | R | B | -2.0331 | |
| 888 | S | B | -1.3101 | |
| 889 | P | B | -1.2891 | |
| 890 | S | B | -1.3451 | |
| 891 | D | B | -2.5047 | |
| 892 | S | B | -2.2318 | |
| 893 | D | B | -2.9623 | |
| 894 | S | B | -2.3875 | |
| 895 | Q | B | -2.7772 | |
| 896 | E | B | -2.6315 | |
| 897 | P | B | -1.2541 | |
| 898 | T | B | -0.6491 | |
| 899 | Y | B | 0.4053 | |
| 900 | H | B | -0.5827 | |
| 901 | N | B | -0.6336 | |
| 902 | V | B | 1.1105 | |
| 903 | P | B | 0.1984 | |
| 904 | A | B | -0.0495 | |
| 905 | W | B | 0.2105 | |
| 906 | E | B | -1.8904 | |
| 907 | E | B | -2.0302 | |
| 908 | L | B | -0.0707 | |
| 909 | Q | B | -0.6448 | |
| 910 | P | B | 0.7201 | |
| 911 | V | B | 2.0258 | |
| 912 | Y | B | 1.5649 | |
| 913 | T | B | 0.3265 | |
| 914 | N | B | -1.0939 | |
| 915 | A | B | -1.3181 | |
| 916 | N | B | -2.3911 | |
| 917 | P | B | -2.3395 | |
| 918 | R | B | -3.2323 | |
| 919 | G | B | -2.6159 | |
| 920 | E | B | -2.5163 | |
| 921 | N | B | -0.9318 | |
| 922 | V | B | 1.7783 | |
| 923 | V | B | 2.3465 | |
| 924 | Y | B | 2.1386 | |
| 925 | S | B | 0.5813 | |
| 926 | E | B | -0.7437 | |
| 927 | V | B | 0.9327 | |
| 928 | R | B | -0.1101 | |
| 929 | I | B | 1.7852 | |
| 930 | I | B | 1.3766 | |
| 931 | Q | B | -1.4683 | |
| 932 | E | B | -3.0850 | |
| 933 | K | B | -4.0410 | |
| 934 | K | B | -4.2494 | |
| 935 | K | B | -3.4649 | |
| 936 | H | B | -1.9321 | |
| 937 | A | B | -0.2883 | |
| 938 | V | B | 1.1529 | |
| 939 | A | B | 0.2653 | |
| 940 | S | B | -0.8336 | |
| 941 | D | B | -2.2738 | |
| 942 | P | B | -2.0467 | |
| 943 | R | B | -2.5374 | |
| 944 | H | B | -1.7212 | |
| 945 | L | B | -0.7622 | |
| 946 | R | B | -2.4328 | |
| 947 | N | B | -2.9189 | |
| 948 | K | B | -2.9382 | |
| 949 | G | B | -1.7592 | |
| 950 | S | B | -0.4288 | |
| 951 | P | B | 1.0226 | |
| 952 | I | B | 3.0738 | |
| 953 | I | B | 3.2692 | |
| 954 | Y | B | 2.4512 | |
| 955 | S | B | 0.5795 | |
| 956 | E | B | -0.7411 | |
| 957 | V | B | 0.6471 | |
| 958 | K | B | -0.5126 | |
| 959 | V | B | 1.1601 | |
| 960 | A | B | 0.5275 | |
| 961 | S | B | 0.1685 | |
| 962 | T | B | 0.3046 | |
| 963 | P | B | 0.4177 | |
| 964 | V | B | 1.3575 | |
| 965 | S | B | 0.4536 | |
| 966 | G | B | 0.3658 | |
| 967 | S | B | 1.1321 | |
| 968 | L | B | 2.6367 | |
| 969 | F | B | 3.3353 | |
| 970 | L | B | 2.8142 | |
| 971 | A | B | 1.3380 | |
| 972 | S | B | 0.2593 | |
| 973 | S | B | -0.1773 | |
| 974 | A | B | -0.4331 | |
| 975 | P | B | -1.1859 | |
| 976 | H | B | -1.9989 | |
| 977 | R | B | -2.3803 |
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 | -0.374 | 7.0074 | View | CSV | PDB |
| 4.5 | -0.4358 | 7.0074 | View | CSV | PDB |
| 5.0 | -0.5137 | 7.0074 | View | CSV | PDB |
| 5.5 | -0.5925 | 7.0074 | View | CSV | PDB |
| 6.0 | -0.6563 | 7.0074 | View | CSV | PDB |
| 6.5 | -0.6938 | 7.0074 | View | CSV | PDB |
| 7.0 | -0.7052 | 7.0074 | View | CSV | PDB |
| 7.5 | -0.7 | 7.0074 | View | CSV | PDB |
| 8.0 | -0.6872 | 7.0074 | View | CSV | PDB |
| 8.5 | -0.6699 | 7.0074 | View | CSV | PDB |
| 9.0 | -0.648 | 7.0074 | 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