| Chain sequence(s) |
A: EVQLVESGGGLVKPGGSLKLSCAASGYTFTSYVMHWVRQAPGKGLEWIGYINPYNDGTKYNEKFQGRVTISSDKSISTAYMELSSLRSEDTAMYYCARGTYYYGTRVFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPATLSLSPGERATLSCRSSKSLQNVNGNTYLYWFQQKPGQSPQLLIYRMSNLNSGVPDRFSGSGSGTEFTLTISSLEPEDFAVYYCMQHLEYPITFGAGTKLEIKSGGGGSEVQLVESGGALVKPGGSLRLSCAASGFTFTEAWMHWVRQAPGKQLEWVAQIKDRSQTYATYYAESVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCRGVYYANAPFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPLSLPVTPGEPASISCRSSQSLVHNTGNTYLSWYLQKPGQSPQSLIYKVSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCGQGTQAPFTFGSGTKVEIKGGGGDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVYTLPPCREEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFDDYAIGWFRQAPGKEREGVSCIRVSDGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGSLYTCVQSIVWPARPYYDMDYWGQGTLVTVSSEPKSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVCTLPPSREEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:08)
[INFO] AutoMutEv:Residue number 126 from chain B and a score of 1.721 (leucine) selected for
automated mutation (00:13:18)
[INFO] AutoMutEv:Residue number 370 from chain A and a score of 1.474 (leucine) selected for
automated mutation (00:13:18)
[INFO] AutoMutEv:Residue number 265 from chain A and a score of 1.405 (leucine) selected for
automated mutation (00:13:18)
[INFO] AutoMutEv:Residue number 11 from chain B and a score of 1.359 (leucine) selected for
automated mutation (00:13:18)
[INFO] AutoMutEv:Residue number 76 from chain A and a score of 1.331 (isoleucine) selected
for automated mutation (00:13:18)
[INFO] AutoMutEv:Residue number 116 from chain A and a score of 1.315 (leucine) selected for
automated mutation (00:13:18)
[INFO] AutoMutEv:Mutating residue number 126 from chain B (leucine) into methionine (00:13:18)
[INFO] AutoMutEv:Mutating residue number 370 from chain A (leucine) into methionine (00:13:18)
[INFO] AutoMutEv:Mutating residue number 265 from chain A (leucine) into methionine (00:13:18)
[INFO] AutoMutEv:Mutating residue number 11 from chain B (leucine) into methionine (00:13:42)
[INFO] AutoMutEv:Mutating residue number 76 from chain A (isoleucine) into threonine (00:13:43)
[INFO] AutoMutEv:Mutating residue number 76 from chain A (isoleucine) into methionine (00:13:44)
[INFO] AutoMutEv:Mutating residue number 76 from chain A (isoleucine) into leucine (00:14:06)
[INFO] AutoMutEv:Mutating residue number 116 from chain A (leucine) into methionine (00:14:09)
[INFO] AutoMutEv:Effect of mutation residue number 126 from chain B (leucine) into
methionine: Energy difference: -0.1366 kcal/mol, Difference in average
score from the base case: -0.0035 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 370 from chain A (leucine) into
methionine: Energy difference: -0.4373 kcal/mol, Difference in average
score from the base case: -0.0032 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 265 from chain A (leucine) into
methionine: Energy difference: -0.0498 kcal/mol, Difference in average
score from the base case: -0.0015 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 11 from chain B (leucine) into
methionine: Energy difference: 0.0301 kcal/mol, Difference in average score
from the base case: -0.0017 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 76 from chain A (isoleucine) into
threonine: Energy difference: 1.0199 kcal/mol, Difference in average score
from the base case: -0.0057 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 76 from chain A (isoleucine) into
methionine: Energy difference: 0.4483 kcal/mol, Difference in average score
from the base case: -0.0025 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 76 from chain A (isoleucine) into
leucine: Energy difference: 0.7828 kcal/mol, Difference in average score
from the base case: -0.0007 (00:14:35)
[INFO] AutoMutEv:Effect of mutation residue number 116 from chain A (leucine) into
methionine: Energy difference: -0.6450 kcal/mol, Difference in average
score from the base case: -0.0033 (00:14:35)
[INFO] Main: Simulation completed successfully. (00:14:42)
|
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 | E | A | -2.6225 | |
| 2 | V | A | -1.3376 | |
| 3 | Q | A | -1.3858 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.6203 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.2618 | |
| 8 | G | A | -0.6169 | |
| 9 | G | A | 0.0940 | |
| 10 | G | A | 0.8463 | |
| 11 | L | A | 1.3008 | |
| 12 | V | A | -0.2910 | |
| 13 | K | A | -1.9059 | |
| 14 | P | A | -1.8711 | |
| 15 | G | A | -1.4912 | |
| 16 | G | A | -1.1483 | |
| 17 | S | A | -1.2491 | |
| 18 | L | A | -1.0768 | |
| 19 | K | A | -2.1079 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.4178 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | 0.5020 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.5591 | |
| 26 | G | A | -1.4761 | |
| 27 | Y | A | -0.6918 | |
| 28 | T | A | -0.1648 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.2092 | |
| 31 | S | A | 0.0000 | |
| 32 | Y | A | 0.5317 | |
| 33 | V | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | A | A | -0.9022 | |
| 41 | P | A | -0.9498 | |
| 42 | G | A | -1.4146 | |
| 43 | K | A | -2.0755 | |
| 44 | G | A | -1.0487 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5422 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | Y | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | Y | A | -0.3130 | |
| 55 | N | A | -1.5388 | |
| 56 | D | A | -2.0279 | |
| 57 | G | A | -1.3856 | |
| 58 | T | A | -1.1557 | |
| 59 | K | A | -1.4356 | |
| 60 | Y | A | -1.4833 | |
| 61 | N | A | -1.9211 | |
| 62 | E | A | -3.3713 | |
| 63 | K | A | -3.1732 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.7919 | |
| 66 | G | A | -1.6918 | |
| 67 | R | A | -1.5780 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.9777 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.7569 | |
| 72 | S | A | -0.7799 | |
| 73 | D | A | -0.8859 | |
| 74 | K | A | -0.9093 | |
| 75 | S | A | 0.0241 | |
| 76 | I | A | 1.3309 | |
| 77 | S | A | 0.2434 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6415 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.5819 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.1364 | |
| 85 | S | A | -1.1867 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.6106 | |
| 88 | S | A | -2.0635 | |
| 89 | E | A | -2.0842 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.3707 | |
| 92 | A | A | 0.0000 | |
| 93 | M | A | 0.5664 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | T | A | 0.4359 | |
| 101 | Y | A | 1.0406 | |
| 102 | Y | A | 0.7129 | |
| 103 | Y | A | 0.3717 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.2268 | |
| 106 | R | A | -0.6000 | |
| 107 | V | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | D | A | -0.3148 | |
| 110 | Y | A | -0.1907 | |
| 111 | W | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -1.1550 | |
| 114 | G | A | -0.2554 | |
| 115 | T | A | 0.4031 | |
| 116 | L | A | 1.3152 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | 0.2223 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -1.0174 | |
| 121 | S | A | -1.5439 | |
| 122 | G | A | -1.2537 | |
| 123 | G | A | -1.1544 | |
| 124 | G | A | -1.1631 | |
| 125 | G | A | -1.2416 | |
| 126 | S | A | -1.0214 | |
| 127 | G | A | -1.6051 | |
| 128 | G | A | -1.1968 | |
| 129 | G | A | -1.3322 | |
| 130 | G | A | -1.1908 | |
| 131 | S | A | -1.0333 | |
| 132 | G | A | -1.4818 | |
| 133 | G | A | -1.6313 | |
| 134 | G | A | -1.3174 | |
| 135 | G | A | -1.6213 | |
| 136 | S | A | -1.1125 | |
| 137 | D | A | -1.2350 | |
| 138 | I | A | 0.0000 | |
| 139 | V | A | 0.9004 | |
| 140 | M | A | 0.0000 | |
| 141 | T | A | -0.3478 | |
| 142 | Q | A | 0.0000 | |
| 143 | S | A | -0.4572 | |
| 144 | P | A | -0.2515 | |
| 145 | A | A | -0.1789 | |
| 146 | T | A | -0.4614 | |
| 147 | L | A | -0.1195 | |
| 148 | S | A | -0.2847 | |
| 149 | L | A | -0.2017 | |
| 150 | S | A | -0.8175 | |
| 151 | P | A | -0.9806 | |
| 152 | G | A | -1.1607 | |
| 153 | E | A | 0.0000 | |
| 154 | R | A | -0.7995 | |
| 155 | A | A | 0.0000 | |
| 156 | T | A | -0.0648 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | -0.8077 | |
| 159 | C | A | 0.0000 | |
| 160 | R | A | -2.1650 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -0.9956 | |
| 163 | K | A | -1.7850 | |
| 164 | S | A | -1.4552 | |
| 165 | L | A | 0.0000 | |
| 166 | Q | A | -0.9853 | |
| 167 | N | A | -0.5334 | |
| 168 | V | A | -0.2384 | |
| 169 | N | A | -0.5945 | |
| 170 | G | A | -0.9708 | |
| 171 | N | A | -0.8601 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | W | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | Q | A | 0.0000 | |
| 179 | Q | A | 0.0000 | |
| 180 | K | A | -1.2613 | |
| 181 | P | A | -0.8936 | |
| 182 | G | A | -1.3332 | |
| 183 | Q | A | -1.8453 | |
| 184 | S | A | -1.2580 | |
| 185 | P | A | 0.0000 | |
| 186 | Q | A | -0.8956 | |
| 187 | L | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | Y | A | -0.3592 | |
| 191 | R | A | -0.6970 | |
| 192 | M | A | 0.0000 | |
| 193 | S | A | -0.3803 | |
| 194 | N | A | -0.5804 | |
| 195 | L | A | -0.2266 | |
| 196 | N | A | 0.0000 | |
| 197 | S | A | -0.4762 | |
| 198 | G | A | -0.6661 | |
| 199 | V | A | -0.4393 | |
| 200 | P | A | -0.7014 | |
| 201 | D | A | -0.9314 | |
| 202 | R | A | -0.8573 | |
| 203 | F | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | G | A | -1.0091 | |
| 208 | S | A | -1.1983 | |
| 209 | G | A | -1.4054 | |
| 210 | T | A | -1.9609 | |
| 211 | E | A | -2.6696 | |
| 212 | F | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | S | A | -0.9758 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | -1.8431 | |
| 221 | P | A | -1.2829 | |
| 222 | E | A | -1.9346 | |
| 223 | D | A | 0.0000 | |
| 224 | F | A | -0.5277 | |
| 225 | A | A | 0.0000 | |
| 226 | V | A | -0.2345 | |
| 227 | Y | A | 0.0000 | |
| 228 | Y | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | Q | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | E | A | -0.6185 | |
| 235 | Y | A | -0.3260 | |
| 236 | P | A | -0.9207 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.1944 | |
| 239 | F | A | 0.3942 | |
| 240 | G | A | 0.0000 | |
| 241 | A | A | -0.2091 | |
| 242 | G | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | K | A | -0.7098 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -0.4871 | |
| 247 | I | A | 0.7925 | |
| 248 | K | A | -0.8107 | |
| 249 | S | A | -0.7645 | |
| 250 | G | A | -1.0651 | |
| 251 | G | A | -1.3155 | |
| 252 | G | A | -1.5025 | |
| 253 | G | A | -1.7387 | |
| 254 | S | A | -1.6991 | |
| 255 | E | A | -2.4743 | |
| 256 | V | A | 0.0000 | |
| 257 | Q | A | -1.3810 | |
| 258 | L | A | 0.0000 | |
| 259 | V | A | 0.6454 | |
| 260 | E | A | 0.0000 | |
| 261 | S | A | -0.2503 | |
| 262 | G | A | -0.5790 | |
| 263 | G | A | 0.2226 | |
| 264 | A | A | 0.6210 | |
| 265 | L | A | 1.4049 | |
| 266 | V | A | -0.1720 | |
| 267 | K | A | -1.7821 | |
| 268 | P | A | -1.7284 | |
| 269 | G | A | -1.4387 | |
| 270 | G | A | -1.0750 | |
| 271 | S | A | -1.3823 | |
| 272 | L | A | -1.1196 | |
| 273 | R | A | -2.1544 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -0.4612 | |
| 276 | C | A | 0.0000 | |
| 277 | A | A | -0.2265 | |
| 278 | A | A | 0.0000 | |
| 279 | S | A | -1.0385 | |
| 280 | G | A | -1.2223 | |
| 281 | F | A | 0.0000 | |
| 282 | T | A | -0.4312 | |
| 283 | F | A | 0.0000 | |
| 284 | T | A | -1.3364 | |
| 285 | E | A | -1.2942 | |
| 286 | A | A | 0.0000 | |
| 287 | W | A | -0.3157 | |
| 288 | M | A | 0.0000 | |
| 289 | H | A | 0.0000 | |
| 290 | W | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | Q | A | -0.7681 | |
| 294 | A | A | -1.1227 | |
| 295 | P | A | -0.8926 | |
| 296 | G | A | -1.5213 | |
| 297 | K | A | -2.3911 | |
| 298 | Q | A | -1.6711 | |
| 299 | L | A | 0.0000 | |
| 300 | E | A | -1.1622 | |
| 301 | W | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | I | A | 0.0000 | |
| 306 | K | A | -0.7452 | |
| 307 | D | A | -1.5236 | |
| 308 | R | A | -2.3601 | |
| 309 | S | A | -1.5922 | |
| 310 | Q | A | -1.4719 | |
| 311 | T | A | -1.0099 | |
| 312 | Y | A | -0.5912 | |
| 313 | A | A | -0.2816 | |
| 314 | T | A | 0.2124 | |
| 315 | Y | A | 0.1450 | |
| 316 | Y | A | -0.6425 | |
| 317 | A | A | 0.0000 | |
| 318 | E | A | -2.6307 | |
| 319 | S | A | -2.0246 | |
| 320 | V | A | 0.0000 | |
| 321 | K | A | -2.4169 | |
| 322 | G | A | -1.7028 | |
| 323 | R | A | -1.6175 | |
| 324 | F | A | 0.0000 | |
| 325 | T | A | -0.7900 | |
| 326 | I | A | 0.0000 | |
| 327 | S | A | -0.2547 | |
| 328 | R | A | -0.9500 | |
| 329 | D | A | -1.2735 | |
| 330 | D | A | -1.6470 | |
| 331 | S | A | -1.4110 | |
| 332 | K | A | -2.2489 | |
| 333 | N | A | -1.5996 | |
| 334 | T | A | -0.9251 | |
| 335 | L | A | 0.0000 | |
| 336 | Y | A | -0.5599 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | -1.3006 | |
| 339 | M | A | 0.0000 | |
| 340 | N | A | -1.5158 | |
| 341 | S | A | -1.2720 | |
| 342 | L | A | 0.0000 | |
| 343 | K | A | -2.2174 | |
| 344 | T | A | -1.9916 | |
| 345 | E | A | -2.4764 | |
| 346 | D | A | 0.0000 | |
| 347 | T | A | -0.3495 | |
| 348 | A | A | 0.0000 | |
| 349 | V | A | 0.7054 | |
| 350 | Y | A | 0.0000 | |
| 351 | Y | A | 0.0000 | |
| 352 | C | A | 0.0000 | |
| 353 | R | A | 0.0000 | |
| 354 | G | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | Y | A | 0.0843 | |
| 358 | A | A | -0.0989 | |
| 359 | N | A | -0.3661 | |
| 360 | A | A | 0.0000 | |
| 361 | P | A | -0.0048 | |
| 362 | F | A | 0.0000 | |
| 363 | D | A | 0.0000 | |
| 364 | Y | A | -0.2060 | |
| 365 | W | A | -0.2554 | |
| 366 | G | A | 0.0000 | |
| 367 | Q | A | -1.1621 | |
| 368 | G | A | 0.0000 | |
| 369 | T | A | 0.5381 | |
| 370 | L | A | 1.4735 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | 0.3522 | |
| 373 | V | A | 0.0000 | |
| 374 | S | A | -1.0264 | |
| 375 | S | A | -1.3948 | |
| 376 | G | A | -1.2321 | |
| 377 | G | A | -1.1364 | |
| 378 | G | A | -1.1719 | |
| 379 | G | A | -1.2506 | |
| 380 | S | A | -1.0339 | |
| 381 | G | A | -1.6299 | |
| 382 | G | A | -1.4777 | |
| 383 | G | A | -1.3998 | |
| 384 | G | A | -1.4547 | |
| 385 | S | A | -1.0669 | |
| 386 | G | A | -1.5353 | |
| 387 | G | A | -1.6597 | |
| 388 | G | A | -1.2729 | |
| 389 | G | A | -1.5183 | |
| 390 | S | A | -1.2834 | |
| 391 | D | A | -1.2661 | |
| 392 | I | A | 0.0000 | |
| 393 | V | A | 1.2264 | |
| 394 | M | A | 0.0000 | |
| 395 | T | A | 0.4038 | |
| 396 | Q | A | 0.0000 | |
| 397 | S | A | -0.0484 | |
| 398 | P | A | 0.1109 | |
| 399 | L | A | 1.2508 | |
| 400 | S | A | 0.2185 | |
| 401 | L | A | -0.0671 | |
| 402 | P | A | -0.9808 | |
| 403 | V | A | 0.0000 | |
| 404 | T | A | -1.2978 | |
| 405 | P | A | -1.6085 | |
| 406 | G | A | -1.4504 | |
| 407 | E | A | -1.6355 | |
| 408 | P | A | -1.2725 | |
| 409 | A | A | 0.0000 | |
| 410 | S | A | -0.0198 | |
| 411 | I | A | 0.0000 | |
| 412 | S | A | 0.0000 | |
| 413 | C | A | 0.0000 | |
| 414 | R | A | -0.0662 | |
| 415 | S | A | 0.0000 | |
| 416 | S | A | -0.2771 | |
| 417 | Q | A | -0.7867 | |
| 418 | S | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | V | A | -0.8888 | |
| 421 | H | A | -1.5004 | |
| 422 | N | A | -1.9315 | |
| 423 | T | A | -1.3252 | |
| 424 | G | A | -1.5195 | |
| 425 | N | A | -0.9493 | |
| 426 | T | A | -0.5113 | |
| 427 | Y | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | W | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | Q | A | -0.8883 | |
| 434 | K | A | -1.4017 | |
| 435 | P | A | -1.0971 | |
| 436 | G | A | -1.3156 | |
| 437 | Q | A | -1.8318 | |
| 438 | S | A | -1.3149 | |
| 439 | P | A | 0.0000 | |
| 440 | Q | A | -1.1012 | |
| 441 | S | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | I | A | 0.0000 | |
| 444 | Y | A | 0.0000 | |
| 445 | K | A | -0.3668 | |
| 446 | V | A | 0.0000 | |
| 447 | S | A | -0.3821 | |
| 448 | N | A | -0.4012 | |
| 449 | R | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | S | A | -0.5380 | |
| 452 | G | A | -1.0862 | |
| 453 | V | A | 0.0000 | |
| 454 | P | A | -1.2610 | |
| 455 | D | A | -2.3358 | |
| 456 | R | A | -1.7270 | |
| 457 | F | A | 0.0000 | |
| 458 | S | A | -0.6134 | |
| 459 | G | A | 0.0000 | |
| 460 | S | A | -0.2473 | |
| 461 | G | A | -0.3446 | |
| 462 | S | A | -0.2979 | |
| 463 | G | A | 0.0000 | |
| 464 | T | A | -0.3009 | |
| 465 | D | A | 0.0000 | |
| 466 | F | A | 0.0000 | |
| 467 | T | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | K | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | S | A | -1.7557 | |
| 472 | R | A | -2.7356 | |
| 473 | V | A | 0.0000 | |
| 474 | E | A | -2.0642 | |
| 475 | A | A | -1.4504 | |
| 476 | E | A | -2.1616 | |
| 477 | D | A | 0.0000 | |
| 478 | V | A | -0.9206 | |
| 479 | G | A | 0.0000 | |
| 480 | V | A | -0.2311 | |
| 481 | Y | A | 0.0000 | |
| 482 | Y | A | 0.0000 | |
| 483 | C | A | 0.0000 | |
| 484 | G | A | 0.0000 | |
| 485 | Q | A | 0.0000 | |
| 486 | G | A | -0.5163 | |
| 487 | T | A | -0.8605 | |
| 488 | Q | A | -1.2788 | |
| 489 | A | A | -0.6079 | |
| 490 | P | A | -0.9045 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.1351 | |
| 493 | F | A | 0.0000 | |
| 494 | G | A | 0.0000 | |
| 495 | S | A | -0.3029 | |
| 496 | G | A | 0.0000 | |
| 497 | T | A | 0.0000 | |
| 498 | K | A | -0.5538 | |
| 499 | V | A | 0.0000 | |
| 500 | E | A | -1.5182 | |
| 501 | I | A | -1.3232 | |
| 502 | K | A | -2.1331 | |
| 503 | G | A | -1.7638 | |
| 504 | G | A | -1.5921 | |
| 505 | G | A | -2.0289 | |
| 506 | G | A | -2.1995 | |
| 507 | D | A | -3.1991 | |
| 508 | K | A | -3.0458 | |
| 509 | T | A | -1.8259 | |
| 510 | H | A | -1.5622 | |
| 511 | T | A | -0.6337 | |
| 512 | C | A | 0.3162 | |
| 513 | P | A | -0.0203 | |
| 514 | P | A | 0.1251 | |
| 515 | C | A | 0.6677 | |
| 516 | P | A | -0.5492 | |
| 517 | A | A | -0.3194 | |
| 518 | P | A | -0.9949 | |
| 519 | E | A | -1.5967 | |
| 520 | A | A | -0.7318 | |
| 521 | A | A | -0.5375 | |
| 522 | G | A | -0.7125 | |
| 523 | G | A | -0.7667 | |
| 524 | P | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | V | A | 0.0000 | |
| 527 | F | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | F | A | 0.0000 | |
| 530 | P | A | 0.0000 | |
| 531 | P | A | 0.0000 | |
| 532 | K | A | -1.1386 | |
| 533 | P | A | 0.0000 | |
| 534 | K | A | -0.9078 | |
| 535 | D | A | -1.3354 | |
| 536 | T | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | Y | A | 0.1493 | |
| 539 | I | A | 1.1539 | |
| 540 | T | A | -0.0447 | |
| 541 | R | A | -1.6369 | |
| 542 | E | A | -2.2044 | |
| 543 | P | A | 0.0000 | |
| 544 | E | A | -1.6211 | |
| 545 | V | A | 0.0000 | |
| 546 | T | A | -0.4430 | |
| 547 | C | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | V | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | D | A | -0.9078 | |
| 552 | V | A | 0.0000 | |
| 553 | S | A | -2.1114 | |
| 554 | H | A | -2.5576 | |
| 555 | E | A | -2.9446 | |
| 556 | D | A | -2.5404 | |
| 557 | P | A | -2.6575 | |
| 558 | E | A | -3.1584 | |
| 559 | V | A | -2.0416 | |
| 560 | K | A | -2.2489 | |
| 561 | F | A | -1.1816 | |
| 562 | N | A | -1.0892 | |
| 563 | W | A | 0.0000 | |
| 564 | Y | A | -0.6345 | |
| 565 | V | A | -0.9456 | |
| 566 | D | A | -2.1838 | |
| 567 | G | A | -0.9180 | |
| 568 | V | A | 0.5657 | |
| 569 | E | A | -0.6394 | |
| 570 | V | A | -0.5635 | |
| 571 | H | A | -1.8741 | |
| 572 | N | A | -2.1726 | |
| 573 | A | A | -1.9037 | |
| 574 | K | A | -2.4290 | |
| 575 | T | A | -1.9801 | |
| 576 | K | A | -2.1813 | |
| 577 | P | A | -2.2612 | |
| 578 | R | A | -3.3246 | |
| 579 | E | A | -2.9320 | |
| 580 | E | A | -2.7309 | |
| 581 | Q | A | 0.0000 | |
| 582 | Y | A | 0.2218 | |
| 583 | N | A | -0.2409 | |
| 584 | S | A | -0.7601 | |
| 585 | T | A | -1.4250 | |
| 586 | Y | A | 0.0000 | |
| 587 | R | A | -1.8317 | |
| 588 | V | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | S | A | 0.0000 | |
| 591 | V | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -1.1669 | |
| 594 | V | A | 0.0000 | |
| 595 | L | A | 0.3144 | |
| 596 | H | A | 0.0000 | |
| 597 | Q | A | -1.0615 | |
| 598 | D | A | -1.3453 | |
| 599 | W | A | 0.0000 | |
| 600 | L | A | -0.9746 | |
| 601 | N | A | -1.8906 | |
| 602 | G | A | 0.0000 | |
| 603 | K | A | -2.1763 | |
| 604 | E | A | -2.2734 | |
| 605 | Y | A | 0.0000 | |
| 606 | K | A | -1.3967 | |
| 607 | C | A | 0.0000 | |
| 608 | K | A | -1.2543 | |
| 609 | V | A | 0.0000 | |
| 610 | S | A | -1.4191 | |
| 611 | N | A | 0.0000 | |
| 612 | K | A | -2.4676 | |
| 613 | A | A | -1.3196 | |
| 614 | L | A | -0.6121 | |
| 615 | A | A | -0.3798 | |
| 616 | A | A | -0.4820 | |
| 617 | P | A | -0.8681 | |
| 618 | I | A | -0.7011 | |
| 619 | E | A | -1.5148 | |
| 620 | K | A | -0.9541 | |
| 621 | T | A | -1.1137 | |
| 622 | I | A | 0.0000 | |
| 623 | S | A | -1.1724 | |
| 624 | K | A | 0.0000 | |
| 625 | A | A | -0.6086 | |
| 626 | K | A | -1.2251 | |
| 627 | G | A | -1.2772 | |
| 628 | Q | A | -1.9704 | |
| 629 | P | A | -1.5769 | |
| 630 | R | A | -1.9651 | |
| 631 | E | A | -2.6012 | |
| 632 | P | A | 0.0000 | |
| 633 | Q | A | -1.1166 | |
| 634 | V | A | 0.0000 | |
| 635 | Y | A | 0.0000 | |
| 636 | T | A | -0.7583 | |
| 637 | L | A | 0.0000 | |
| 638 | P | A | -0.3100 | |
| 639 | P | A | 0.0000 | |
| 640 | C | A | -1.3179 | |
| 641 | R | A | -2.5215 | |
| 642 | E | A | -2.5837 | |
| 643 | E | A | 0.0000 | |
| 644 | M | A | -1.8318 | |
| 645 | T | A | -1.6390 | |
| 646 | K | A | -2.3145 | |
| 647 | N | A | -2.4859 | |
| 648 | Q | A | -2.1810 | |
| 649 | V | A | 0.0000 | |
| 650 | S | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | W | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | V | A | 0.0000 | |
| 656 | K | A | -0.5695 | |
| 657 | G | A | -0.9906 | |
| 658 | F | A | 0.0000 | |
| 659 | Y | A | 0.0000 | |
| 660 | P | A | 0.0000 | |
| 661 | S | A | -0.0429 | |
| 662 | D | A | -0.2917 | |
| 663 | I | A | -0.1008 | |
| 664 | A | A | -0.2995 | |
| 665 | V | A | 0.0000 | |
| 666 | E | A | -1.2908 | |
| 667 | W | A | 0.0000 | |
| 668 | E | A | -1.8763 | |
| 669 | S | A | 0.0000 | |
| 670 | N | A | -1.8521 | |
| 671 | G | A | -1.7653 | |
| 672 | Q | A | -2.2810 | |
| 673 | P | A | -1.9245 | |
| 674 | E | A | 0.0000 | |
| 675 | N | A | -2.0657 | |
| 676 | N | A | -1.4862 | |
| 677 | Y | A | -1.0547 | |
| 678 | K | A | -1.0063 | |
| 679 | T | A | -0.4046 | |
| 680 | T | A | 0.0000 | |
| 681 | P | A | 0.0000 | |
| 682 | P | A | 0.0000 | |
| 683 | V | A | 0.0466 | |
| 684 | L | A | -0.1431 | |
| 685 | D | A | -0.5422 | |
| 686 | S | A | -1.2251 | |
| 687 | D | A | -1.8696 | |
| 688 | G | A | 0.0000 | |
| 689 | S | A | 0.0000 | |
| 690 | F | A | -0.0119 | |
| 691 | F | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | Y | A | 0.0000 | |
| 694 | S | A | 0.0000 | |
| 695 | K | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | T | A | -0.8252 | |
| 698 | V | A | 0.0000 | |
| 699 | D | A | -2.2330 | |
| 700 | K | A | -2.4402 | |
| 701 | S | A | -2.1058 | |
| 702 | R | A | -1.8544 | |
| 703 | W | A | 0.0000 | |
| 704 | Q | A | -2.3285 | |
| 705 | Q | A | -2.1096 | |
| 706 | G | A | -1.1734 | |
| 707 | N | A | -0.8218 | |
| 708 | V | A | 0.2621 | |
| 709 | F | A | 0.0000 | |
| 710 | S | A | -1.0930 | |
| 711 | C | A | 0.0000 | |
| 712 | S | A | 0.0000 | |
| 713 | V | A | 0.0000 | |
| 714 | M | A | 0.0000 | |
| 715 | H | A | 0.0000 | |
| 716 | E | A | -1.0261 | |
| 717 | A | A | -1.5651 | |
| 718 | L | A | 0.0000 | |
| 719 | H | A | -1.8872 | |
| 720 | N | A | -1.5401 | |
| 721 | H | A | -1.0860 | |
| 722 | Y | A | -0.8102 | |
| 723 | T | A | 0.0000 | |
| 724 | Q | A | -1.5942 | |
| 725 | K | A | -1.2010 | |
| 726 | S | A | -0.5648 | |
| 727 | L | A | 0.0000 | |
| 728 | S | A | -0.1235 | |
| 729 | L | A | -0.3662 | |
| 730 | S | A | -0.7208 | |
| 731 | P | A | -1.2187 | |
| 732 | G | A | -1.4311 | |
| 733 | K | A | -2.0286 | |
| 1 | E | B | -1.9800 | |
| 2 | V | B | -1.1470 | |
| 3 | Q | B | -0.8023 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.0000 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | 0.0000 | |
| 8 | G | B | -0.3168 | |
| 9 | G | B | 0.3769 | |
| 10 | G | B | 0.8176 | |
| 11 | L | B | 1.3594 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.6933 | |
| 14 | P | B | -1.7713 | |
| 15 | G | B | -1.2665 | |
| 16 | G | B | -0.9847 | |
| 17 | S | B | -1.1367 | |
| 18 | L | B | -0.6838 | |
| 19 | R | B | -1.3262 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | 0.0000 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6655 | |
| 26 | G | B | -1.1356 | |
| 27 | F | B | 0.0000 | |
| 28 | T | B | 0.0000 | |
| 29 | F | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | D | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | A | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.0586 | |
| 40 | A | B | -1.3647 | |
| 41 | P | B | -1.2963 | |
| 42 | G | B | -2.1701 | |
| 43 | K | B | -3.0517 | |
| 44 | E | B | -2.9961 | |
| 45 | R | B | -1.6691 | |
| 46 | E | B | -1.0065 | |
| 47 | G | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | C | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | R | B | -0.8581 | |
| 53 | V | B | 0.0000 | |
| 54 | S | B | 0.0000 | |
| 55 | D | B | -1.9048 | |
| 56 | G | B | -1.4717 | |
| 57 | S | B | 0.0000 | |
| 58 | T | B | 0.0000 | |
| 59 | Y | B | 0.0000 | |
| 60 | Y | B | 0.0000 | |
| 61 | A | B | 0.0000 | |
| 62 | D | B | -1.0540 | |
| 63 | S | B | -0.5983 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | 0.0000 | |
| 66 | G | B | -0.5881 | |
| 67 | R | B | 0.0000 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.4334 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.6818 | |
| 72 | R | B | -1.2246 | |
| 73 | D | B | -1.0967 | |
| 74 | N | B | -0.7530 | |
| 75 | S | B | -0.6437 | |
| 76 | K | B | -0.6259 | |
| 77 | N | B | 0.0000 | |
| 78 | T | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5333 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -0.7765 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.0702 | |
| 85 | S | B | -0.8881 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -1.9865 | |
| 88 | A | B | -1.6457 | |
| 89 | E | B | -2.1653 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.3554 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.8437 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.2426 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | S | B | -0.3449 | |
| 101 | L | B | 0.0000 | |
| 102 | Y | B | 0.0655 | |
| 103 | T | B | -0.1920 | |
| 104 | C | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | Q | B | 0.0000 | |
| 107 | S | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | V | B | 0.3063 | |
| 110 | W | B | 0.4954 | |
| 111 | P | B | -0.2089 | |
| 112 | A | B | -0.1951 | |
| 113 | R | B | 0.0000 | |
| 114 | P | B | -0.0379 | |
| 115 | Y | B | 0.0000 | |
| 116 | Y | B | -0.1930 | |
| 117 | D | B | -0.4661 | |
| 118 | M | B | 0.0000 | |
| 119 | D | B | -1.1182 | |
| 120 | Y | B | -0.3367 | |
| 121 | W | B | -0.0796 | |
| 122 | G | B | -0.1682 | |
| 123 | Q | B | -0.3677 | |
| 124 | G | B | 0.1753 | |
| 125 | T | B | 0.6421 | |
| 126 | L | B | 1.7214 | |
| 127 | V | B | 0.0000 | |
| 128 | T | B | 0.3190 | |
| 129 | V | B | 0.0000 | |
| 130 | S | B | -1.5210 | |
| 131 | S | B | -1.8658 | |
| 132 | E | B | -2.7669 | |
| 133 | P | B | -2.3019 | |
| 134 | K | B | -2.7694 | |
| 135 | S | B | -2.2212 | |
| 136 | S | B | -2.1243 | |
| 137 | D | B | -3.2504 | |
| 138 | K | B | -2.8989 | |
| 139 | T | B | -1.8085 | |
| 140 | H | B | -1.6672 | |
| 141 | T | B | -0.8096 | |
| 142 | C | B | 0.1484 | |
| 143 | P | B | -0.0407 | |
| 144 | P | B | 0.1065 | |
| 145 | C | B | 0.6663 | |
| 146 | P | B | -0.3090 | |
| 147 | A | B | -0.0949 | |
| 148 | P | B | -0.5690 | |
| 149 | E | B | -0.7185 | |
| 150 | A | B | -0.2846 | |
| 151 | A | B | -0.2938 | |
| 152 | G | B | -0.5570 | |
| 153 | G | B | -0.4651 | |
| 154 | P | B | 0.0000 | |
| 155 | S | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | L | B | 0.0000 | |
| 159 | F | B | -0.1386 | |
| 160 | P | B | 0.0000 | |
| 161 | P | B | 0.0000 | |
| 162 | K | B | -1.6586 | |
| 163 | P | B | -1.1244 | |
| 164 | K | B | -0.9877 | |
| 165 | D | B | 0.0000 | |
| 166 | T | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | Y | B | 0.4259 | |
| 169 | I | B | 0.9880 | |
| 170 | T | B | 0.0000 | |
| 171 | R | B | 0.0000 | |
| 172 | E | B | -0.1774 | |
| 173 | P | B | 0.0000 | |
| 174 | E | B | -0.9768 | |
| 175 | V | B | 0.0000 | |
| 176 | T | B | -0.2922 | |
| 177 | C | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | V | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | D | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | S | B | -1.9739 | |
| 184 | H | B | -2.4902 | |
| 185 | E | B | -2.9548 | |
| 186 | D | B | -2.5450 | |
| 187 | P | B | -2.6072 | |
| 188 | E | B | -3.1358 | |
| 189 | V | B | -2.0122 | |
| 190 | K | B | -2.2451 | |
| 191 | F | B | -1.2906 | |
| 192 | N | B | -1.0415 | |
| 193 | W | B | 0.0000 | |
| 194 | Y | B | -0.6227 | |
| 195 | V | B | -0.8952 | |
| 196 | D | B | -2.1763 | |
| 197 | G | B | -0.9049 | |
| 198 | V | B | 0.5819 | |
| 199 | E | B | -0.5806 | |
| 200 | V | B | -0.4347 | |
| 201 | H | B | -1.6828 | |
| 202 | N | B | -1.7866 | |
| 203 | A | B | -1.7539 | |
| 204 | K | B | -2.7204 | |
| 205 | T | B | -2.3140 | |
| 206 | K | B | -3.0037 | |
| 207 | P | B | -2.7041 | |
| 208 | R | B | -3.8690 | |
| 209 | E | B | -3.8739 | |
| 210 | E | B | -3.5213 | |
| 211 | Q | B | 0.0000 | |
| 212 | Y | B | -1.3117 | |
| 213 | N | B | 0.0000 | |
| 214 | S | B | -1.6820 | |
| 215 | T | B | -1.8574 | |
| 216 | Y | B | -2.2754 | |
| 217 | R | B | -1.9391 | |
| 218 | V | B | 0.0000 | |
| 219 | V | B | -1.1834 | |
| 220 | S | B | 0.0000 | |
| 221 | V | B | 0.0000 | |
| 222 | L | B | 0.0000 | |
| 223 | T | B | -0.5923 | |
| 224 | V | B | 0.0000 | |
| 225 | L | B | 0.5618 | |
| 226 | H | B | 0.0000 | |
| 227 | Q | B | -1.0407 | |
| 228 | D | B | -1.3047 | |
| 229 | W | B | 0.0000 | |
| 230 | L | B | -0.9009 | |
| 231 | N | B | -1.9817 | |
| 232 | G | B | -2.0163 | |
| 233 | K | B | -2.1518 | |
| 234 | E | B | -2.2104 | |
| 235 | Y | B | 0.0000 | |
| 236 | K | B | -1.2959 | |
| 237 | C | B | 0.0000 | |
| 238 | K | B | -1.1036 | |
| 239 | V | B | 0.0000 | |
| 240 | S | B | -1.3727 | |
| 241 | N | B | 0.0000 | |
| 242 | K | B | -2.4758 | |
| 243 | A | B | -1.3253 | |
| 244 | L | B | -0.4935 | |
| 245 | A | B | -0.2176 | |
| 246 | A | B | -0.3373 | |
| 247 | P | B | -0.8094 | |
| 248 | I | B | -0.4881 | |
| 249 | E | B | -1.1999 | |
| 250 | K | B | -0.8835 | |
| 251 | T | B | -0.9034 | |
| 252 | I | B | -0.3475 | |
| 253 | S | B | -1.2625 | |
| 254 | K | B | -1.2329 | |
| 255 | A | B | -1.2362 | |
| 256 | K | B | -2.3354 | |
| 257 | G | B | -1.9642 | |
| 258 | Q | B | -2.1214 | |
| 259 | P | B | -1.7515 | |
| 260 | R | B | -2.0307 | |
| 261 | E | B | -2.5677 | |
| 262 | P | B | 0.0000 | |
| 263 | Q | B | -1.1376 | |
| 264 | V | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | T | B | 0.0000 | |
| 267 | L | B | 0.0000 | |
| 268 | P | B | -0.3789 | |
| 269 | P | B | -0.7824 | |
| 270 | S | B | 0.0000 | |
| 271 | R | B | -2.4654 | |
| 272 | E | B | -2.3617 | |
| 273 | E | B | 0.0000 | |
| 274 | M | B | -1.7247 | |
| 275 | T | B | -1.4772 | |
| 276 | K | B | -2.0463 | |
| 277 | N | B | -2.3495 | |
| 278 | Q | B | -1.9932 | |
| 279 | V | B | 0.0000 | |
| 280 | S | B | 0.0000 | |
| 281 | L | B | 0.0000 | |
| 282 | S | B | 0.0000 | |
| 283 | C | B | 0.0000 | |
| 284 | A | B | 0.0000 | |
| 285 | V | B | 0.0000 | |
| 286 | K | B | -0.6613 | |
| 287 | G | B | -1.1746 | |
| 288 | F | B | 0.0000 | |
| 289 | Y | B | -1.1205 | |
| 290 | P | B | 0.0000 | |
| 291 | S | B | -0.2706 | |
| 292 | D | B | -0.8788 | |
| 293 | I | B | -0.4572 | |
| 294 | A | B | 0.0000 | |
| 295 | V | B | 0.0000 | |
| 296 | E | B | -1.0205 | |
| 297 | W | B | 0.0000 | |
| 298 | E | B | -1.1868 | |
| 299 | S | B | 0.0000 | |
| 300 | N | B | -1.5333 | |
| 301 | G | B | -1.2945 | |
| 302 | Q | B | -1.2641 | |
| 303 | P | B | -0.8601 | |
| 304 | E | B | 0.0000 | |
| 305 | N | B | -0.6622 | |
| 306 | N | B | -0.4111 | |
| 307 | Y | B | -0.3701 | |
| 308 | K | B | -0.6068 | |
| 309 | T | B | -0.3165 | |
| 310 | T | B | 0.0000 | |
| 311 | P | B | -0.0421 | |
| 312 | P | B | -0.0597 | |
| 313 | V | B | 0.0000 | |
| 314 | L | B | -0.9482 | |
| 315 | D | B | -1.4517 | |
| 316 | S | B | -1.8511 | |
| 317 | D | B | -2.0650 | |
| 318 | G | B | -1.4126 | |
| 319 | S | B | 0.0000 | |
| 320 | F | B | -0.2995 | |
| 321 | F | B | 0.0000 | |
| 322 | L | B | 0.0000 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | K | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | T | B | -0.4367 | |
| 328 | V | B | 0.0000 | |
| 329 | D | B | -2.1346 | |
| 330 | K | B | -2.4291 | |
| 331 | S | B | -2.0876 | |
| 332 | R | B | -1.7693 | |
| 333 | W | B | 0.0000 | |
| 334 | Q | B | -2.2903 | |
| 335 | Q | B | -2.0644 | |
| 336 | G | B | -1.1110 | |
| 337 | N | B | -0.7457 | |
| 338 | V | B | 0.3115 | |
| 339 | F | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | C | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | M | B | 0.0000 | |
| 345 | H | B | 0.0000 | |
| 346 | E | B | -1.0551 | |
| 347 | A | B | -1.4682 | |
| 348 | L | B | -1.4153 | |
| 349 | H | B | -1.7708 | |
| 350 | N | B | -1.6680 | |
| 351 | H | B | -1.1841 | |
| 352 | Y | B | -0.4420 | |
| 353 | T | B | -0.6862 | |
| 354 | Q | B | -1.0648 | |
| 355 | K | B | -0.9965 | |
| 356 | S | B | -0.4412 | |
| 357 | L | B | 0.0000 | |
| 358 | S | B | -0.0744 | |
| 359 | L | B | -0.3085 | |
| 360 | S | B | -0.5960 | |
| 361 | P | B | -1.2282 | |
| 362 | G | B | -1.4259 | |
| 363 | K | B | -2.0324 |
Automated mutations analysis - evolutionary conserved mutations
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated based off an evolutionary approach.
The table below shows 2 best scored mutants for each mutated residue. Protein variants
are ordered according to the mutation effect they had on protein stability
(energetic effect) together with the difference in the average per-residue aggregation score
between the wild type and the mutant (in the table green values indicate a positive change,
grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this
CSV file .
Mutant |
Energetic effect |
Score comparison |
|||
| LM116A | -0.645 | -0.0033 | View | CSV | PDB |
| LM370A | -0.4373 | -0.0032 | View | CSV | PDB |
| LM126B | -0.1366 | -0.0035 | View | CSV | PDB |
| LM265A | -0.0498 | -0.0015 | View | CSV | PDB |
| LM11B | 0.0301 | -0.0017 | View | CSV | PDB |
| IT76A | 1.0199 | -0.0057 | View | CSV | PDB |
| IM76A | 0.4483 | -0.0025 | 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