| Chain sequence(s) |
A: SLEELRAQLEALQEETVDRLVAVLQEGRAQGLSKEEVRARLEAVRAAALAEAEALNAPPELLALARKQLDADVATLLARY
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/39a63da43a9ff2c/tmp/folded.pdb (00:09:10)
[INFO] Main: Simulation completed successfully. (00:13:40)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | S | A | -0.7219 | |
| 2 | L | A | -0.1119 | |
| 3 | E | A | -2.2070 | |
| 4 | E | A | -2.5345 | |
| 5 | L | A | -1.3476 | |
| 6 | R | A | -1.4959 | |
| 7 | A | A | -1.4760 | |
| 8 | Q | A | -1.3506 | |
| 9 | L | A | 0.0000 | |
| 10 | E | A | -1.0378 | |
| 11 | A | A | -0.8655 | |
| 12 | L | A | -1.2064 | |
| 13 | Q | A | 0.0000 | |
| 14 | E | A | -1.7484 | |
| 15 | E | A | -2.7529 | |
| 16 | T | A | 0.0000 | |
| 17 | V | A | 0.0000 | |
| 18 | D | A | -2.5206 | |
| 19 | R | A | -2.8806 | |
| 20 | L | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | A | A | -1.7064 | |
| 23 | V | A | -1.7709 | |
| 24 | L | A | -1.9965 | |
| 25 | Q | A | -2.4907 | |
| 26 | E | A | -2.6913 | |
| 27 | G | A | 0.0000 | |
| 28 | R | A | -1.6198 | |
| 29 | A | A | -1.4124 | |
| 30 | Q | A | -1.9376 | |
| 31 | G | A | -1.4623 | |
| 32 | L | A | -1.7111 | |
| 33 | S | A | -1.9816 | |
| 34 | K | A | -2.9262 | |
| 35 | E | A | -3.6314 | |
| 36 | E | A | -3.2364 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -3.7577 | |
| 39 | A | A | -2.9181 | |
| 40 | R | A | -2.6510 | |
| 41 | L | A | 0.0000 | |
| 42 | E | A | -2.8051 | |
| 43 | A | A | -1.3904 | |
| 44 | V | A | -1.2835 | |
| 45 | R | A | -1.7066 | |
| 46 | A | A | -0.9479 | |
| 47 | A | A | -0.8247 | |
| 48 | A | A | 0.0000 | |
| 49 | L | A | -1.0215 | |
| 50 | A | A | -1.2933 | |
| 51 | E | A | -2.3289 | |
| 52 | A | A | 0.0000 | |
| 53 | E | A | -2.5503 | |
| 54 | A | A | -1.6190 | |
| 55 | L | A | -1.1585 | |
| 56 | N | A | -1.8295 | |
| 57 | A | A | 0.0000 | |
| 58 | P | A | -1.0038 | |
| 59 | P | A | -1.4395 | |
| 60 | E | A | -1.9163 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | -1.1763 | |
| 63 | A | A | -0.9490 | |
| 64 | L | A | -0.7864 | |
| 65 | A | A | 0.0000 | |
| 66 | R | A | -1.6307 | |
| 67 | K | A | -1.4063 | |
| 68 | Q | A | -1.0910 | |
| 69 | L | A | 0.0000 | |
| 70 | D | A | -1.6695 | |
| 71 | A | A | -0.9679 | |
| 72 | D | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | -0.7791 | |
| 75 | T | A | -0.5624 | |
| 76 | L | A | 0.0000 | |
| 77 | L | A | -1.1244 | |
| 78 | A | A | -0.7722 | |
| 79 | R | A | -1.9096 | |
| 80 | Y | A | -1.4017 | |
| 1 | M | B | 2.3932 | |
| 2 | L | B | 3.4093 | |
| 3 | L | B | 3.9996 | |
| 4 | W | B | 4.2579 | |
| 5 | V | B | 4.7293 | |
| 6 | I | B | 4.9753 | |
| 7 | L | B | 4.8239 | |
| 8 | L | B | 4.5771 | |
| 9 | V | B | 4.0821 | |
| 10 | L | B | 3.4314 | |
| 11 | A | B | 1.9978 | |
| 12 | P | B | 1.2306 | |
| 13 | V | B | 1.5150 | |
| 14 | S | B | 0.2794 | |
| 15 | G | B | -0.0241 | |
| 16 | Q | B | -0.5666 | |
| 17 | F | B | 0.6223 | |
| 18 | A | B | -0.3670 | |
| 19 | R | B | -1.6338 | |
| 20 | T | B | -1.0331 | |
| 21 | P | B | -1.0483 | |
| 22 | R | B | -1.1396 | |
| 23 | P | B | 0.0000 | |
| 24 | I | B | -0.0864 | |
| 25 | I | B | 0.0000 | |
| 26 | F | B | 0.6385 | |
| 27 | L | B | -0.1548 | |
| 28 | Q | B | -1.4756 | |
| 29 | P | B | -0.9887 | |
| 30 | P | B | -0.2788 | |
| 31 | W | B | -0.1926 | |
| 32 | T | B | -0.5530 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | Q | B | -2.5849 | |
| 37 | G | B | -2.2238 | |
| 38 | E | B | -2.4485 | |
| 39 | R | B | -3.4813 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | -1.3002 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | 0.0618 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -0.3175 | |
| 46 | G | B | -0.7557 | |
| 47 | F | B | -0.4410 | |
| 48 | R | B | -1.4221 | |
| 49 | F | B | -0.3601 | |
| 50 | Y | B | 0.3814 | |
| 51 | S | B | -0.5012 | |
| 52 | P | B | -0.9203 | |
| 53 | Q | B | -1.9194 | |
| 54 | K | B | -2.9714 | |
| 55 | T | B | 0.0000 | |
| 56 | K | B | -1.9563 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.7614 | |
| 59 | H | B | 0.0000 | |
| 60 | R | B | -2.3095 | |
| 61 | Y | B | -0.8471 | |
| 62 | L | B | 0.4180 | |
| 63 | G | B | -1.1689 | |
| 64 | K | B | -2.5454 | |
| 65 | E | B | -2.6403 | |
| 66 | I | B | -0.7769 | |
| 67 | L | B | -0.2087 | |
| 68 | R | B | -1.1978 | |
| 69 | E | B | -2.5381 | |
| 70 | T | B | -1.8689 | |
| 71 | P | B | -1.7091 | |
| 72 | D | B | -1.6201 | |
| 73 | N | B | -0.9361 | |
| 74 | I | B | -0.1731 | |
| 75 | L | B | 0.0000 | |
| 76 | E | B | -2.1575 | |
| 77 | V | B | 0.0000 | |
| 78 | Q | B | -3.3687 | |
| 79 | E | B | -2.7005 | |
| 80 | S | B | -1.7599 | |
| 81 | G | B | -1.6598 | |
| 82 | E | B | -1.5602 | |
| 83 | Y | B | 0.0000 | |
| 84 | R | B | -0.6876 | |
| 85 | C | B | 0.0000 | |
| 86 | Q | B | -1.4582 | |
| 87 | A | B | 0.0000 | |
| 88 | Q | B | -2.0414 | |
| 89 | G | B | -0.9733 | |
| 90 | S | B | 0.0000 | |
| 91 | P | B | -0.8130 | |
| 92 | L | B | -0.3290 | |
| 93 | S | B | 0.0000 | |
| 94 | S | B | -0.5512 | |
| 95 | P | B | -0.6821 | |
| 96 | V | B | 0.0000 | |
| 97 | H | B | -1.5619 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.4138 | |
| 100 | F | B | 0.0000 | |
| 101 | S | B | -1.3018 | |
| 102 | S | B | -0.8537 | |
| 103 | A | B | -0.4819 | |
| 104 | S | B | -0.8731 | |
| 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 | 0.2669 | |
| 111 | L | B | 0.3058 | |
| 112 | S | B | -0.4691 | |
| 113 | V | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | E | B | -1.3423 | |
| 116 | G | B | -1.0196 | |
| 117 | D | B | -1.1177 | |
| 118 | S | B | -0.9340 | |
| 119 | V | B | 0.0000 | |
| 120 | V | B | -0.0226 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | -0.9830 | |
| 123 | C | B | 0.0000 | |
| 124 | R | B | -1.0361 | |
| 125 | A | B | -0.8894 | |
| 126 | K | B | -1.7044 | |
| 127 | A | B | -1.3702 | |
| 128 | E | B | -2.4362 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1183 | |
| 131 | L | B | -1.4779 | |
| 132 | N | B | -1.3435 | |
| 133 | N | B | 0.0000 | |
| 134 | T | B | 0.5518 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.1867 | |
| 137 | K | B | -1.5600 | |
| 138 | N | B | -2.6178 | |
| 139 | D | B | -2.6679 | |
| 140 | N | B | -1.6414 | |
| 141 | V | B | 0.9946 | |
| 142 | L | B | 1.1113 | |
| 143 | A | B | 1.5118 | |
| 144 | F | B | 1.4249 | |
| 145 | L | B | 0.0000 | |
| 146 | N | B | -2.2846 | |
| 147 | K | B | -3.0498 | |
| 148 | R | B | -3.0184 | |
| 149 | T | B | -1.9489 | |
| 150 | D | B | -1.2574 | |
| 151 | F | B | -0.1853 | |
| 152 | H | B | -0.6163 | |
| 153 | I | B | 0.0000 | |
| 154 | P | B | -0.9597 | |
| 155 | H | B | -1.5402 | |
| 156 | A | B | 0.0000 | |
| 157 | C | B | -0.9473 | |
| 158 | L | B | -0.4397 | |
| 159 | K | B | -1.4934 | |
| 160 | D | B | -1.2687 | |
| 161 | N | B | -1.7347 | |
| 162 | G | B | -1.8921 | |
| 163 | A | B | -2.0772 | |
| 164 | Y | B | 0.0000 | |
| 165 | R | B | -1.3460 | |
| 166 | C | B | 0.0000 | |
| 167 | T | B | 0.1709 | |
| 168 | G | B | 0.0000 | |
| 169 | Y | B | 0.4740 | |
| 170 | K | B | -0.8347 | |
| 171 | E | B | -1.8478 | |
| 172 | S | B | -0.8987 | |
| 173 | C | B | 0.4051 | |
| 174 | C | B | 0.5356 | |
| 175 | P | B | 0.3576 | |
| 176 | V | B | 0.5357 | |
| 177 | S | B | -0.1046 | |
| 178 | S | B | 0.0000 | |
| 179 | N | B | -0.9348 | |
| 180 | T | B | -1.2025 | |
| 181 | V | B | 0.0000 | |
| 182 | K | B | -2.3252 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -2.1281 | |
| 185 | V | B | 0.0000 | |
| 186 | Q | B | -1.8090 | |
| 187 | E | B | -2.0639 | |
| 188 | P | B | 0.0000 | |
| 189 | F | B | 0.0000 | |
| 190 | T | B | -1.7810 | |
| 191 | R | B | -2.2820 | |
| 192 | P | B | 0.0000 | |
| 193 | V | B | -0.9878 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -1.3902 | |
| 196 | A | B | -0.7713 | |
| 197 | S | B | -0.6496 | |
| 198 | S | B | -0.5019 | |
| 199 | F | B | -0.0103 | |
| 200 | Q | B | -0.8253 | |
| 201 | P | B | 0.0000 | |
| 202 | I | B | 0.2181 | |
| 203 | S | B | -0.0474 | |
| 204 | G | B | -0.2262 | |
| 205 | N | B | -0.8685 | |
| 206 | P | B | -0.8109 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | -0.9115 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.2838 | |
| 211 | C | B | 0.0000 | |
| 212 | E | B | -2.1439 | |
| 213 | T | B | -1.5731 | |
| 214 | Q | B | -1.5495 | |
| 215 | L | B | -0.7879 | |
| 216 | S | B | -0.7677 | |
| 217 | L | B | -0.5059 | |
| 218 | E | B | -0.7398 | |
| 219 | R | B | -1.0022 | |
| 220 | S | B | -0.8731 | |
| 221 | D | B | -1.9239 | |
| 222 | V | B | -0.4998 | |
| 223 | P | B | -0.3629 | |
| 224 | L | B | 0.0000 | |
| 225 | R | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | R | B | -0.4908 | |
| 228 | F | B | 0.0000 | |
| 229 | F | B | -1.0370 | |
| 230 | R | B | -1.2251 | |
| 231 | D | B | -1.9355 | |
| 232 | D | B | -2.6809 | |
| 233 | Q | B | -2.3674 | |
| 234 | T | B | -1.1144 | |
| 235 | L | B | -0.4918 | |
| 236 | G | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | W | B | 0.0000 | |
| 240 | S | B | -0.2664 | |
| 241 | L | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | P | B | -0.8246 | |
| 244 | N | B | -1.4574 | |
| 245 | F | B | -0.8081 | |
| 246 | Q | B | -1.3256 | |
| 247 | I | B | -0.5776 | |
| 248 | T | B | -0.5635 | |
| 249 | A | B | -0.3494 | |
| 250 | M | B | 0.0000 | |
| 251 | W | B | 0.1501 | |
| 252 | S | B | -0.4742 | |
| 253 | K | B | -1.5944 | |
| 254 | D | B | 0.0000 | |
| 255 | S | B | -0.4770 | |
| 256 | G | B | 0.0000 | |
| 257 | F | B | 0.5395 | |
| 258 | Y | B | 0.0000 | |
| 259 | W | B | 0.0000 | |
| 260 | C | B | 0.0000 | |
| 261 | K | B | -0.4776 | |
| 262 | A | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0000 | |
| 265 | M | B | 0.5178 | |
| 266 | P | B | 0.1766 | |
| 267 | Y | B | 0.9981 | |
| 268 | S | B | 0.2937 | |
| 269 | V | B | 0.7181 | |
| 270 | I | B | 1.3424 | |
| 271 | S | B | -0.2703 | |
| 272 | D | B | -0.8574 | |
| 273 | S | B | 0.0000 | |
| 274 | P | B | -0.9479 | |
| 275 | R | B | -1.0123 | |
| 276 | S | B | -0.0513 | |
| 277 | W | B | 0.8079 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -0.4294 | |
| 280 | V | B | 0.0000 | |
| 281 | Q | B | 0.1274 | |
| 282 | I | B | 0.9646 | |
| 283 | P | B | 0.1236 | |
| 284 | A | B | 0.0000 | |
| 285 | S | B | -0.9384 | |
| 286 | H | B | -1.4985 | |
| 287 | P | B | 0.0000 | |
| 288 | V | B | 0.8702 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -0.1253 | |
| 291 | L | B | -0.8601 | |
| 292 | S | B | -1.4829 | |
| 293 | P | B | -1.6843 | |
| 294 | E | B | -2.5592 | |
| 295 | K | B | -2.2490 | |
| 296 | A | B | -0.7759 | |
| 297 | L | B | 1.0120 | |
| 298 | N | B | 0.1337 | |
| 299 | F | B | 0.9396 | |
| 300 | E | B | -0.4033 | |
| 301 | G | B | -0.8460 | |
| 302 | T | B | -0.6792 | |
| 303 | K | B | -1.8514 | |
| 304 | V | B | 0.0000 | |
| 305 | T | B | -0.7502 | |
| 306 | L | B | 0.0000 | |
| 307 | H | B | -0.0170 | |
| 308 | C | B | 0.0000 | |
| 309 | E | B | -0.5995 | |
| 310 | T | B | 0.0000 | |
| 311 | Q | B | -1.7617 | |
| 312 | E | B | -1.4560 | |
| 313 | D | B | -1.3206 | |
| 314 | S | B | -0.3424 | |
| 315 | L | B | 0.5040 | |
| 316 | R | B | -0.9607 | |
| 317 | T | B | 0.0000 | |
| 318 | L | B | 0.6037 | |
| 319 | Y | B | 0.0000 | |
| 320 | R | B | -1.3308 | |
| 321 | F | B | 0.0000 | |
| 322 | Y | B | -0.3720 | |
| 323 | H | B | -0.6137 | |
| 324 | E | B | -1.7130 | |
| 325 | G | B | -0.4452 | |
| 326 | V | B | 0.8432 | |
| 327 | P | B | -0.2354 | |
| 328 | L | B | -1.1815 | |
| 329 | R | B | -2.4339 | |
| 330 | H | B | -2.2976 | |
| 331 | K | B | -2.3941 | |
| 332 | S | B | -0.8506 | |
| 333 | V | B | 0.4236 | |
| 334 | R | B | -0.7322 | |
| 335 | C | B | -0.9598 | |
| 336 | E | B | -2.1070 | |
| 337 | R | B | -1.9519 | |
| 338 | G | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -0.6240 | |
| 343 | F | B | -0.6698 | |
| 344 | S | B | -0.9493 | |
| 345 | L | B | 0.0000 | |
| 346 | T | B | -1.0147 | |
| 347 | T | B | -1.0598 | |
| 348 | E | B | -2.0223 | |
| 349 | N | B | -1.5106 | |
| 350 | S | B | -1.3097 | |
| 351 | G | B | -1.3322 | |
| 352 | N | B | -1.5254 | |
| 353 | Y | B | 0.0000 | |
| 354 | Y | B | -0.3426 | |
| 355 | C | B | 0.0000 | |
| 356 | T | B | -0.6400 | |
| 357 | A | B | 0.0000 | |
| 358 | D | B | -0.8194 | |
| 359 | N | B | -0.5228 | |
| 360 | G | B | -0.6023 | |
| 361 | L | B | 0.1319 | |
| 362 | G | B | -0.5266 | |
| 363 | A | B | -0.6986 | |
| 364 | K | B | -1.3112 | |
| 365 | P | B | -1.0104 | |
| 366 | S | B | -0.7146 | |
| 367 | K | B | -1.4878 | |
| 368 | A | B | -0.7767 | |
| 369 | V | B | -0.1067 | |
| 370 | S | B | -0.7305 | |
| 371 | L | B | 0.0000 | |
| 372 | S | B | -0.2942 | |
| 373 | V | B | 0.0000 | |
| 374 | T | B | 0.4866 | |
| 375 | V | B | 0.0000 | |
| 376 | P | B | -0.4775 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -1.7930 | |
| 379 | H | B | -2.2517 | |
| 380 | P | B | 0.0000 | |
| 381 | V | B | -0.2802 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.5642 | |
| 384 | L | B | -0.1532 | |
| 385 | S | B | -0.9097 | |
| 386 | S | B | -1.2804 | |
| 387 | P | B | -1.5283 | |
| 388 | E | B | -2.1665 | |
| 389 | D | B | -1.9805 | |
| 390 | L | B | -0.3409 | |
| 391 | I | B | -0.2527 | |
| 392 | F | B | -0.0365 | |
| 393 | E | B | -0.8367 | |
| 394 | G | B | -0.9445 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.0973 | |
| 397 | V | B | 0.0000 | |
| 398 | T | B | -0.6157 | |
| 399 | L | B | 0.0000 | |
| 400 | H | B | -0.3666 | |
| 401 | C | B | 0.0000 | |
| 402 | E | B | -1.0009 | |
| 403 | A | B | 0.0000 | |
| 404 | Q | B | -2.2524 | |
| 405 | R | B | -2.5175 | |
| 406 | G | B | -1.2249 | |
| 407 | S | B | -0.2664 | |
| 408 | L | B | 0.0739 | |
| 409 | P | B | -0.2713 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | -0.6630 | |
| 412 | Y | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | F | B | 0.0000 | |
| 415 | H | B | -1.0278 | |
| 416 | H | B | -1.4740 | |
| 417 | E | B | -2.3969 | |
| 418 | G | B | -1.3955 | |
| 419 | A | B | -0.6388 | |
| 420 | A | B | -0.6615 | |
| 421 | L | B | -0.5482 | |
| 422 | E | B | -2.1894 | |
| 423 | R | B | -2.9395 | |
| 424 | R | B | -2.6796 | |
| 425 | S | B | -1.3937 | |
| 426 | A | B | 0.0000 | |
| 427 | N | B | -1.3296 | |
| 428 | S | B | -0.7387 | |
| 429 | A | B | -0.8715 | |
| 430 | G | B | -0.8463 | |
| 431 | G | B | -0.7774 | |
| 432 | V | B | -0.7381 | |
| 433 | A | B | -0.5234 | |
| 434 | I | B | 0.0000 | |
| 435 | S | B | -0.4974 | |
| 436 | F | B | -0.4803 | |
| 437 | S | B | -1.0155 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | -1.0889 | |
| 440 | A | B | -1.2302 | |
| 441 | E | B | -2.0665 | |
| 442 | H | B | -1.6008 | |
| 443 | S | B | -1.3410 | |
| 444 | G | B | -1.3768 | |
| 445 | N | B | -1.6634 | |
| 446 | Y | B | 0.0000 | |
| 447 | Y | B | -1.0948 | |
| 448 | C | B | 0.0000 | |
| 449 | T | B | -1.3702 | |
| 450 | A | B | 0.0000 | |
| 451 | D | B | -0.7929 | |
| 452 | N | B | -0.3176 | |
| 453 | G | B | -0.2477 | |
| 454 | F | B | 0.2151 | |
| 455 | G | B | -0.5926 | |
| 456 | P | B | -1.1241 | |
| 457 | Q | B | -1.6834 | |
| 458 | R | B | -2.4839 | |
| 459 | S | B | 0.0000 | |
| 460 | K | B | -2.0442 | |
| 461 | A | B | -1.2568 | |
| 462 | V | B | -0.2942 | |
| 463 | S | B | -0.7333 | |
| 464 | L | B | 0.0000 | |
| 465 | S | B | -0.4638 | |
| 466 | V | B | 0.0000 | |
| 467 | T | B | 0.1051 | |
| 468 | V | B | 0.0000 | |
| 469 | P | B | -0.5551 | |
| 470 | V | B | 0.0000 | |
| 471 | S | B | -1.5436 | |
| 472 | H | B | -2.3217 | |
| 473 | P | B | 0.0000 | |
| 474 | V | B | -0.8421 | |
| 475 | L | B | 0.0000 | |
| 476 | T | B | 0.0227 | |
| 477 | L | B | 0.2615 | |
| 478 | S | B | -0.2265 | |
| 479 | S | B | -0.4118 | |
| 480 | A | B | -0.6063 | |
| 481 | E | B | -1.1397 | |
| 482 | A | B | -0.2533 | |
| 483 | L | B | 0.6328 | |
| 484 | T | B | 0.4776 | |
| 485 | F | B | 0.2122 | |
| 486 | E | B | -0.8216 | |
| 487 | G | B | -0.8588 | |
| 488 | A | B | 0.0000 | |
| 489 | T | B | -0.5139 | |
| 490 | V | B | 0.0000 | |
| 491 | T | B | -0.0127 | |
| 492 | L | B | 0.0000 | |
| 493 | H | B | -0.7164 | |
| 494 | C | B | 0.0000 | |
| 495 | E | B | -2.1932 | |
| 496 | V | B | 0.0000 | |
| 497 | Q | B | -2.0747 | |
| 498 | R | B | -1.6926 | |
| 499 | G | B | -1.0940 | |
| 500 | S | B | -0.6841 | |
| 501 | P | B | -1.1617 | |
| 502 | Q | B | -1.4684 | |
| 503 | I | B | 0.0000 | |
| 504 | L | B | -0.2587 | |
| 505 | Y | B | 0.0000 | |
| 506 | Q | B | -0.2652 | |
| 507 | F | B | 0.0000 | |
| 508 | Y | B | -0.3893 | |
| 509 | H | B | -0.9048 | |
| 510 | E | B | -1.9152 | |
| 511 | D | B | -2.0481 | |
| 512 | M | B | -0.3629 | |
| 513 | P | B | -0.1957 | |
| 514 | L | B | 0.3427 | |
| 515 | W | B | 0.5767 | |
| 516 | S | B | 0.1027 | |
| 517 | S | B | 0.0328 | |
| 518 | S | B | -0.5047 | |
| 519 | T | B | -0.6422 | |
| 520 | P | B | -0.7170 | |
| 521 | S | B | -0.6563 | |
| 522 | V | B | -0.6860 | |
| 523 | G | B | -1.5195 | |
| 524 | R | B | -2.3270 | |
| 525 | V | B | -1.0453 | |
| 526 | S | B | -0.5142 | |
| 527 | F | B | 0.3155 | |
| 528 | S | B | 0.0134 | |
| 529 | F | B | 0.0102 | |
| 530 | S | B | -0.3906 | |
| 531 | L | B | 0.0000 | |
| 532 | T | B | -1.3847 | |
| 533 | E | B | -1.9851 | |
| 534 | G | B | -1.3277 | |
| 535 | H | B | -1.0042 | |
| 536 | S | B | -0.4613 | |
| 537 | G | B | -0.4373 | |
| 538 | N | B | -0.9373 | |
| 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 | -1.1349 | |
| 545 | N | B | -0.8476 | |
| 546 | G | B | -0.5710 | |
| 547 | F | B | 0.1403 | |
| 548 | G | B | -0.6026 | |
| 549 | P | B | -1.2730 | |
| 550 | Q | B | -1.9453 | |
| 551 | R | B | -2.6262 | |
| 552 | S | B | 0.0000 | |
| 553 | E | B | -1.5841 | |
| 554 | V | B | 0.0280 | |
| 555 | V | B | 0.3882 | |
| 556 | S | B | 0.3726 | |
| 557 | L | B | 0.0000 | |
| 558 | F | B | 1.5317 | |
| 559 | V | B | 0.0000 | |
| 560 | T | B | 0.2014 | |
| 561 | V | B | 0.0000 | |
| 562 | P | B | -0.5946 | |
| 563 | V | B | 0.0000 | |
| 564 | S | B | -1.6940 | |
| 565 | R | B | -2.6183 | |
| 566 | P | B | 0.0000 | |
| 567 | I | B | 0.4213 | |
| 568 | L | B | 0.0000 | |
| 569 | T | B | -0.2293 | |
| 570 | L | B | -0.7150 | |
| 571 | R | B | -1.9921 | |
| 572 | V | B | -1.0666 | |
| 573 | P | B | -1.2685 | |
| 574 | R | B | -2.1285 | |
| 575 | A | B | -1.2537 | |
| 576 | Q | B | -0.8667 | |
| 577 | A | B | 0.0000 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.4363 | |
| 580 | G | B | 0.1324 | |
| 581 | D | B | 0.0000 | |
| 582 | L | B | 0.1605 | |
| 583 | L | B | 0.0000 | |
| 584 | E | B | -1.0745 | |
| 585 | L | B | 0.0000 | |
| 586 | H | B | -0.9519 | |
| 587 | C | B | 0.0000 | |
| 588 | E | B | -1.7889 | |
| 589 | A | B | 0.0000 | |
| 590 | P | B | -1.6713 | |
| 591 | R | B | -2.4474 | |
| 592 | G | B | -1.6616 | |
| 593 | S | B | -0.7723 | |
| 594 | P | B | -0.8925 | |
| 595 | P | B | -0.7041 | |
| 596 | I | B | 0.0000 | |
| 597 | L | B | 0.0851 | |
| 598 | Y | B | 0.0000 | |
| 599 | W | B | 0.2743 | |
| 600 | F | B | 0.0000 | |
| 601 | Y | B | -0.1382 | |
| 602 | H | B | -0.8911 | |
| 603 | E | B | -2.3036 | |
| 604 | D | B | -1.8138 | |
| 605 | V | B | 0.4538 | |
| 606 | T | B | 0.3921 | |
| 607 | L | B | 0.3555 | |
| 608 | G | B | 0.2735 | |
| 609 | S | B | 0.1513 | |
| 610 | S | B | -0.1890 | |
| 611 | S | B | -0.5229 | |
| 612 | A | B | 0.0000 | |
| 613 | P | B | -0.5941 | |
| 614 | S | B | -0.8192 | |
| 615 | G | B | -1.3830 | |
| 616 | G | B | -1.9601 | |
| 617 | E | B | -2.2898 | |
| 618 | A | B | 0.0000 | |
| 619 | S | B | -0.9212 | |
| 620 | F | B | -0.3565 | |
| 621 | N | B | -1.1593 | |
| 622 | L | B | -0.2610 | |
| 623 | S | B | -0.0868 | |
| 624 | L | B | 0.0000 | |
| 625 | T | B | -0.3490 | |
| 626 | A | B | -0.6652 | |
| 627 | E | B | -1.8676 | |
| 628 | H | B | -1.2665 | |
| 629 | S | B | -1.0514 | |
| 630 | G | B | -1.2044 | |
| 631 | N | B | -1.6271 | |
| 632 | Y | B | 0.0000 | |
| 633 | S | B | -0.7509 | |
| 634 | C | B | 0.0000 | |
| 635 | E | B | -0.9353 | |
| 636 | A | B | 0.0000 | |
| 637 | N | B | -0.6321 | |
| 638 | N | B | -0.3975 | |
| 639 | G | B | -0.2500 | |
| 640 | L | B | 0.5377 | |
| 641 | V | B | 0.5347 | |
| 642 | A | B | -0.4792 | |
| 643 | Q | B | -1.6764 | |
| 644 | H | B | -1.9078 | |
| 645 | S | B | 0.0000 | |
| 646 | D | B | -1.9044 | |
| 647 | T | B | -0.9980 | |
| 648 | I | B | -0.2977 | |
| 649 | S | B | -0.3988 | |
| 650 | L | B | -0.1268 | |
| 651 | S | B | -0.4666 | |
| 652 | V | B | 0.0000 | |
| 653 | I | B | 0.4767 | |
| 654 | V | B | 0.2450 | |
| 655 | P | B | -0.7509 | |
| 656 | V | B | 0.0000 | |
| 657 | S | B | -1.5160 | |
| 658 | R | B | -2.0994 | |
| 659 | P | B | 0.0000 | |
| 660 | I | B | 0.0368 | |
| 661 | L | B | 0.0000 | |
| 662 | T | B | -0.1495 | |
| 663 | F | B | -0.5352 | |
| 664 | R | B | -1.7903 | |
| 665 | A | B | -1.4263 | |
| 666 | P | B | -1.4049 | |
| 667 | R | B | -2.2172 | |
| 668 | A | B | -1.3355 | |
| 669 | Q | B | -1.3980 | |
| 670 | A | B | 0.0000 | |
| 671 | V | B | 0.0000 | |
| 672 | V | B | 0.0346 | |
| 673 | G | B | -0.0628 | |
| 674 | D | B | 0.0000 | |
| 675 | L | B | -0.0516 | |
| 676 | L | B | 0.0000 | |
| 677 | E | B | -1.3776 | |
| 678 | L | B | 0.0000 | |
| 679 | H | B | -0.6723 | |
| 680 | C | B | 0.0000 | |
| 681 | E | B | -0.6767 | |
| 682 | A | B | 0.0000 | |
| 683 | L | B | -0.0829 | |
| 684 | R | B | -1.6490 | |
| 685 | G | B | -0.9463 | |
| 686 | S | B | -0.6095 | |
| 687 | S | B | -0.8294 | |
| 688 | P | B | -0.7720 | |
| 689 | I | B | 0.0000 | |
| 690 | L | B | -0.3921 | |
| 691 | Y | B | 0.0000 | |
| 692 | W | B | -0.4626 | |
| 693 | F | B | 0.0000 | |
| 694 | Y | B | -0.0685 | |
| 695 | H | B | -0.2836 | |
| 696 | E | B | -1.3300 | |
| 697 | D | B | -1.4719 | |
| 698 | V | B | 0.5493 | |
| 699 | T | B | 0.1378 | |
| 700 | L | B | 0.0580 | |
| 701 | G | B | -0.2472 | |
| 702 | K | B | -1.2371 | |
| 703 | I | B | -0.2189 | |
| 704 | S | B | -0.4546 | |
| 705 | A | B | 0.0000 | |
| 706 | P | B | -0.5668 | |
| 707 | S | B | -0.6383 | |
| 708 | G | B | -0.8386 | |
| 709 | G | B | -0.7986 | |
| 710 | G | B | -0.3183 | |
| 711 | A | B | 0.0000 | |
| 712 | S | B | -0.7802 | |
| 713 | F | B | -0.5927 | |
| 714 | N | B | -1.2791 | |
| 715 | L | B | -0.4242 | |
| 716 | S | B | -0.2111 | |
| 717 | L | B | 0.0000 | |
| 718 | T | B | -0.5692 | |
| 719 | T | B | -1.1284 | |
| 720 | E | B | -2.0852 | |
| 721 | H | B | -1.4325 | |
| 722 | S | B | -1.4293 | |
| 723 | G | B | -0.7870 | |
| 724 | I | B | -0.1681 | |
| 725 | Y | B | 0.0000 | |
| 726 | S | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | E | B | -1.4626 | |
| 729 | A | B | 0.0000 | |
| 730 | D | B | -1.4401 | |
| 731 | N | B | -0.9105 | |
| 732 | G | B | -0.9052 | |
| 733 | L | B | -0.9177 | |
| 734 | E | B | -2.1238 | |
| 735 | A | B | -1.7726 | |
| 736 | Q | B | -2.2252 | |
| 737 | R | B | -2.1950 | |
| 738 | S | B | 0.0000 | |
| 739 | E | B | -0.7304 | |
| 740 | M | B | 0.6404 | |
| 741 | V | B | 0.7740 | |
| 742 | T | B | 0.0467 | |
| 743 | L | B | 0.0000 | |
| 744 | K | B | -1.9863 | |
| 745 | V | B | 0.0000 | |
| 746 | A | B | -0.4255 | |
| 747 | V | B | -0.2344 | |
| 748 | P | B | -0.5668 | |
| 749 | V | B | 0.0000 | |
| 750 | S | B | -1.2734 | |
| 751 | R | B | -2.3914 | |
| 752 | P | B | 0.0000 | |
| 753 | V | B | 0.2716 | |
| 754 | L | B | 0.0000 | |
| 755 | T | B | -0.2448 | |
| 756 | L | B | -0.8438 | |
| 757 | R | B | -2.0351 | |
| 758 | A | B | -1.2797 | |
| 759 | P | B | -0.9392 | |
| 760 | G | B | -1.1651 | |
| 761 | T | B | -1.0020 | |
| 762 | H | B | -0.9343 | |
| 763 | A | B | 0.0000 | |
| 764 | A | B | 0.5899 | |
| 765 | V | B | 1.2655 | |
| 766 | G | B | 0.4278 | |
| 767 | D | B | 0.1724 | |
| 768 | L | B | 0.2224 | |
| 769 | L | B | 0.0000 | |
| 770 | E | B | -1.3560 | |
| 771 | L | B | 0.0000 | |
| 772 | H | B | -0.7468 | |
| 773 | C | B | 0.0000 | |
| 774 | E | B | -0.4993 | |
| 775 | A | B | -0.5904 | |
| 776 | L | B | 0.4433 | |
| 777 | R | B | -1.1916 | |
| 778 | G | B | -0.5992 | |
| 779 | S | B | -0.2627 | |
| 780 | P | B | 0.0658 | |
| 781 | L | B | 0.8539 | |
| 782 | I | B | 0.0000 | |
| 783 | L | B | -0.6748 | |
| 784 | Y | B | 0.0000 | |
| 785 | R | B | -1.8641 | |
| 786 | F | B | 0.0000 | |
| 787 | F | B | 0.0000 | |
| 788 | H | B | -1.0780 | |
| 789 | E | B | -2.3895 | |
| 790 | D | B | -1.8886 | |
| 791 | V | B | 0.3612 | |
| 792 | T | B | -0.1249 | |
| 793 | L | B | -0.0911 | |
| 794 | G | B | -0.8593 | |
| 795 | N | B | -2.0776 | |
| 796 | R | B | -2.1994 | |
| 797 | S | B | -1.0490 | |
| 798 | S | B | -0.4840 | |
| 799 | P | B | -0.0814 | |
| 800 | S | B | -0.4985 | |
| 801 | G | B | -0.6926 | |
| 802 | G | B | -0.5135 | |
| 803 | A | B | 0.0000 | |
| 804 | S | B | -1.0102 | |
| 805 | L | B | -1.0833 | |
| 806 | N | B | -1.2699 | |
| 807 | L | B | -0.3180 | |
| 808 | S | B | -0.0058 | |
| 809 | L | B | 0.0000 | |
| 810 | T | B | -0.0929 | |
| 811 | A | B | -0.3702 | |
| 812 | E | B | -1.6766 | |
| 813 | H | B | -0.9014 | |
| 814 | S | B | -0.3755 | |
| 815 | G | B | -0.7696 | |
| 816 | N | B | -1.3048 | |
| 817 | Y | B | 0.0000 | |
| 818 | S | B | 0.0000 | |
| 819 | C | B | 0.0000 | |
| 820 | E | B | -1.7025 | |
| 821 | A | B | 0.0000 | |
| 822 | D | B | -1.0915 | |
| 823 | N | B | -0.2482 | |
| 824 | G | B | -0.3443 | |
| 825 | L | B | -0.1152 | |
| 826 | G | B | -0.5082 | |
| 827 | A | B | -1.1578 | |
| 828 | Q | B | -1.9538 | |
| 829 | R | B | -2.0236 | |
| 830 | S | B | 0.0000 | |
| 831 | E | B | -2.0146 | |
| 832 | T | B | -1.0678 | |
| 833 | V | B | -0.0500 | |
| 834 | T | B | 0.0203 | |
| 835 | L | B | 0.5541 | |
| 836 | Y | B | 1.0949 | |
| 837 | I | B | 0.6208 | |
| 838 | T | B | 0.6066 | |
| 839 | G | B | 0.7402 | |
| 840 | L | B | 1.2898 | |
| 841 | T | B | 0.3590 | |
| 842 | A | B | -0.6650 | |
| 843 | N | B | -2.2277 | |
| 844 | R | B | -2.6905 | |
| 845 | S | B | -1.8061 | |
| 846 | G | B | -0.6681 | |
| 847 | P | B | 0.4585 | |
| 848 | F | B | 1.7194 | |
| 849 | A | B | 0.9998 | |
| 850 | T | B | 0.5880 | |
| 851 | G | B | 0.3987 | |
| 852 | V | B | 1.4610 | |
| 853 | A | B | 0.5059 | |
| 854 | G | B | 0.0456 | |
| 855 | G | B | 0.4670 | |
| 856 | L | B | 1.8926 | |
| 857 | L | B | 2.5383 | |
| 858 | S | B | 2.0141 | |
| 859 | I | B | 2.1727 | |
| 860 | A | B | 1.0808 | |
| 861 | G | B | 0.7754 | |
| 862 | L | B | 1.3788 | |
| 863 | A | B | 0.7546 | |
| 864 | A | B | 0.1642 | |
| 865 | G | B | -0.0729 | |
| 866 | A | B | 1.0243 | |
| 867 | L | B | 2.7920 | |
| 868 | L | B | 3.4576 | |
| 869 | L | B | 3.5645 | |
| 870 | Y | B | 3.3220 | |
| 871 | C | B | 2.6629 | |
| 872 | W | B | 2.5774 | |
| 873 | L | B | 1.7902 | |
| 874 | S | B | -0.2448 | |
| 875 | R | B | -2.5942 | |
| 876 | K | B | -2.8377 | |
| 877 | A | B | -2.0407 | |
| 878 | G | B | -2.2907 | |
| 879 | R | B | -3.0014 | |
| 880 | K | B | -2.8746 | |
| 881 | P | B | -1.5094 | |
| 882 | A | B | -0.9453 | |
| 883 | S | B | -1.1940 | |
| 884 | D | B | -2.1918 | |
| 885 | P | B | -1.6968 | |
| 886 | A | B | -1.4307 | |
| 887 | R | B | -2.2238 | |
| 888 | S | B | -1.3181 | |
| 889 | P | B | -1.3473 | |
| 890 | S | B | -1.3173 | |
| 891 | D | B | -2.4719 | |
| 892 | S | B | -2.2187 | |
| 893 | D | B | -2.8642 | |
| 894 | S | B | -2.2790 | |
| 895 | Q | B | -2.6553 | |
| 896 | E | B | -2.7808 | |
| 897 | P | B | -1.2135 | |
| 898 | T | B | -0.1887 | |
| 899 | Y | B | 0.3987 | |
| 900 | H | B | -0.5416 | |
| 901 | N | B | -0.6764 | |
| 902 | V | B | 0.9542 | |
| 903 | P | B | 0.4387 | |
| 904 | A | B | 0.5748 | |
| 905 | W | B | 0.1770 | |
| 906 | E | B | -2.0618 | |
| 907 | E | B | -2.1574 | |
| 908 | L | B | -0.0683 | |
| 909 | Q | B | -0.6625 | |
| 910 | P | B | 0.5179 | |
| 911 | V | B | 1.9983 | |
| 912 | Y | B | 1.6065 | |
| 913 | T | B | 0.2560 | |
| 914 | N | B | -1.1280 | |
| 915 | A | B | -1.3105 | |
| 916 | N | B | -2.2511 | |
| 917 | P | B | -2.2650 | |
| 918 | R | B | -3.1404 | |
| 919 | G | B | -2.5736 | |
| 920 | E | B | -2.5206 | |
| 921 | N | B | -0.9314 | |
| 922 | V | B | 1.8008 | |
| 923 | V | B | 2.3864 | |
| 924 | Y | B | 2.1192 | |
| 925 | S | B | 0.4691 | |
| 926 | E | B | -0.7938 | |
| 927 | V | B | 0.8781 | |
| 928 | R | B | -0.1245 | |
| 929 | I | B | 1.8003 | |
| 930 | I | B | 1.3766 | |
| 931 | Q | B | -1.4250 | |
| 932 | E | B | -2.9213 | |
| 933 | K | B | -4.0010 | |
| 934 | K | B | -4.0702 | |
| 935 | K | B | -3.6507 | |
| 936 | H | B | -1.9826 | |
| 937 | A | B | -0.1295 | |
| 938 | V | B | 1.5709 | |
| 939 | A | B | 0.4160 | |
| 940 | S | B | -0.9102 | |
| 941 | D | B | -2.6574 | |
| 942 | P | B | -2.0359 | |
| 943 | R | B | -2.8204 | |
| 944 | H | B | -2.1568 | |
| 945 | L | B | -0.8695 | |
| 946 | R | B | -2.7562 | |
| 947 | N | B | -2.8778 | |
| 948 | K | B | -2.9274 | |
| 949 | G | B | -1.7702 | |
| 950 | S | B | -0.3662 | |
| 951 | P | B | 0.9965 | |
| 952 | I | B | 3.0750 | |
| 953 | I | B | 3.2646 | |
| 954 | Y | B | 2.4301 | |
| 955 | S | B | 0.5828 | |
| 956 | E | B | -0.7405 | |
| 957 | V | B | 0.6491 | |
| 958 | K | B | -0.5166 | |
| 959 | V | B | 1.1672 | |
| 960 | A | B | 0.5280 | |
| 961 | S | B | 0.1773 | |
| 962 | T | B | 0.3413 | |
| 963 | P | B | 0.4097 | |
| 964 | V | B | 1.3549 | |
| 965 | S | B | 0.4827 | |
| 966 | G | B | 0.3837 | |
| 967 | S | B | 1.1902 | |
| 968 | L | B | 2.6562 | |
| 969 | F | B | 3.3205 | |
| 970 | L | B | 2.8161 | |
| 971 | A | B | 1.3973 | |
| 972 | S | B | 0.3471 | |
| 973 | S | B | -0.2324 | |
| 974 | A | B | -0.4483 | |
| 975 | P | B | -1.1782 | |
| 976 | H | B | -2.0178 | |
| 977 | R | B | -2.3800 |
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 | -0.3746 | 7.0129 | View | CSV | PDB |
| 4.5 | -0.4322 | 7.0129 | View | CSV | PDB |
| 5.0 | -0.5053 | 7.0129 | View | CSV | PDB |
| 5.5 | -0.5804 | 7.0129 | View | CSV | PDB |
| 6.0 | -0.6425 | 7.0129 | View | CSV | PDB |
| 6.5 | -0.6808 | 7.0129 | View | CSV | PDB |
| 7.0 | -0.6945 | 7.0129 | View | CSV | PDB |
| 7.5 | -0.6925 | 7.0129 | View | CSV | PDB |
| 8.0 | -0.6828 | 7.0129 | View | CSV | PDB |
| 8.5 | -0.6682 | 7.0129 | View | CSV | PDB |
| 9.0 | -0.6487 | 7.0129 | 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