| Chain sequence(s) |
A: HHHHHHSSGAFSADTPEIVYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSACPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY
B: HHHHHHSSGAFSADTPEIVYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSACPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 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 (00:07:05)
[INFO] AutoMutEv:Residue number 105 from chain A and a score of 2.013 (isoleucine) selected
for automated mutation (00:07:10)
[INFO] AutoMutEv:Residue number 105 from chain B and a score of 2.013 (isoleucine) selected
for automated mutation (00:07:10)
[INFO] AutoMutEv:Residue number 19 from chain B and a score of 1.921 (valine) selected for
automated mutation (00:07:10)
[INFO] AutoMutEv:Residue number 19 from chain A and a score of 1.883 (valine) selected for
automated mutation (00:07:10)
[INFO] AutoMutEv:Residue number 310 from chain A and a score of 1.744 (valine) selected for
automated mutation (00:07:10)
[INFO] AutoMutEv:Residue number 310 from chain B and a score of 1.743 (valine) selected for
automated mutation (00:07:10)
[INFO] AutoMutEv:Mutating residue number 105 from chain A (isoleucine) into threonine (00:07:10)
[INFO] AutoMutEv:Mutating residue number 105 from chain A (isoleucine) into leucine (00:07:10)
[INFO] AutoMutEv:Mutating residue number 105 from chain B (isoleucine) into methionine (00:07:10)
[INFO] AutoMutEv:Mutating residue number 105 from chain A (isoleucine) into methionine (00:07:24)
[INFO] AutoMutEv:Mutating residue number 105 from chain B (isoleucine) into threonine (00:07:24)
[INFO] AutoMutEv:Mutating residue number 105 from chain B (isoleucine) into leucine (00:07:26)
[INFO] AutoMutEv:Mutating residue number 19 from chain B (valine) into threonine (00:07:38)
[INFO] AutoMutEv:Mutating residue number 19 from chain B (valine) into methionine (00:07:40)
[INFO] AutoMutEv:Mutating residue number 19 from chain A (valine) into alanine (00:07:41)
[INFO] AutoMutEv:Mutating residue number 19 from chain B (valine) into alanine (00:07:51)
[INFO] AutoMutEv:Mutating residue number 19 from chain A (valine) into methionine (00:07:54)
[INFO] AutoMutEv:Mutating residue number 19 from chain A (valine) into threonine (00:07:57)
[INFO] AutoMutEv:Mutating residue number 310 from chain A (valine) into threonine (00:08:08)
[INFO] AutoMutEv:Mutating residue number 310 from chain A (valine) into methionine (00:08:09)
[INFO] AutoMutEv:Mutating residue number 310 from chain B (valine) into alanine (00:08:10)
[INFO] AutoMutEv:Mutating residue number 310 from chain A (valine) into alanine (00:08:22)
[INFO] AutoMutEv:Mutating residue number 310 from chain B (valine) into methionine (00:08:24)
[INFO] AutoMutEv:Mutating residue number 310 from chain B (valine) into threonine (00:08:26)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain A (isoleucine) into
threonine: Energy difference: 0.5766 kcal/mol, Difference in average score
from the base case: -0.0031 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain A (isoleucine) into
methionine: Energy difference: -0.0532 kcal/mol, Difference in average
score from the base case: -0.0015 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain A (isoleucine) into
leucine: Energy difference: -0.0630 kcal/mol, Difference in average score
from the base case: -0.0004 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain B (isoleucine) into
threonine: Energy difference: 0.5226 kcal/mol, Difference in average score
from the base case: -0.0031 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain B (isoleucine) into
methionine: Energy difference: 0.0326 kcal/mol, Difference in average score
from the base case: -0.0015 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 105 from chain B (isoleucine) into
leucine: Energy difference: 0.0367 kcal/mol, Difference in average score
from the base case: -0.0004 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain B (valine) into threonine:
Energy difference: -0.0102 kcal/mol, Difference in average score from the
base case: -0.0037 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain B (valine) into alanine:
Energy difference: 0.0932 kcal/mol, Difference in average score from the
base case: -0.0042 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain B (valine) into methionine:
Energy difference: 0.2432 kcal/mol, Difference in average score from the
base case: -0.0014 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain A (valine) into threonine:
Energy difference: -0.3112 kcal/mol, Difference in average score from the
base case: -0.0037 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain A (valine) into alanine:
Energy difference: 0.0126 kcal/mol, Difference in average score from the
base case: -0.0034 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 19 from chain A (valine) into methionine:
Energy difference: 0.0248 kcal/mol, Difference in average score from the
base case: -0.0015 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain A (valine) into threonine:
Energy difference: 0.2329 kcal/mol, Difference in average score from the
base case: -0.0038 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain A (valine) into alanine:
Energy difference: 0.4585 kcal/mol, Difference in average score from the
base case: -0.0036 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain A (valine) into
methionine: Energy difference: -0.4440 kcal/mol, Difference in average
score from the base case: -0.0000 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain B (valine) into threonine:
Energy difference: 0.0884 kcal/mol, Difference in average score from the
base case: -0.0038 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain B (valine) into alanine:
Energy difference: 0.4661 kcal/mol, Difference in average score from the
base case: -0.0036 (00:08:41)
[INFO] AutoMutEv:Effect of mutation residue number 310 from chain B (valine) into
methionine: Energy difference: -0.6250 kcal/mol, Difference in average
score from the base case: -0.0005 (00:08:41)
[INFO] Main: Simulation completed successfully. (00:08:47)
|
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 | H | A | -1.1707 | |
| 2 | H | A | -1.3513 | |
| 3 | H | A | -1.3535 | |
| 4 | H | A | -1.3559 | |
| 5 | H | A | -1.2527 | |
| 6 | H | A | -0.6514 | |
| 7 | S | A | -0.3108 | |
| 8 | S | A | -0.2269 | |
| 9 | G | A | -0.4785 | |
| 10 | A | A | 0.0776 | |
| 11 | F | A | 0.6696 | |
| 12 | S | A | -0.0797 | |
| 13 | A | A | -0.3521 | |
| 14 | D | A | -1.7908 | |
| 15 | T | A | -0.3809 | |
| 16 | P | A | -0.4864 | |
| 17 | E | A | -1.7628 | |
| 18 | I | A | 0.4520 | |
| 19 | V | A | 1.8833 | |
| 20 | Y | A | 0.4603 | |
| 21 | T | A | -0.1883 | |
| 22 | H | A | -1.3262 | |
| 23 | D | A | -1.9720 | |
| 24 | T | A | 0.0000 | |
| 25 | G | A | -0.4307 | |
| 26 | L | A | -0.2089 | |
| 27 | D | A | -1.7068 | |
| 28 | Y | A | -0.0633 | |
| 29 | I | A | 0.0000 | |
| 30 | T | A | -0.0424 | |
| 31 | Y | A | 0.1357 | |
| 32 | S | A | -0.3327 | |
| 33 | D | A | -1.7558 | |
| 34 | Y | A | -0.4361 | |
| 35 | E | A | -1.7500 | |
| 36 | L | A | -0.4241 | |
| 37 | D | A | -1.4100 | |
| 38 | P | A | -0.4944 | |
| 39 | A | A | -0.0387 | |
| 40 | N | A | -0.3221 | |
| 41 | P | A | -0.3064 | |
| 42 | L | A | 0.0000 | |
| 43 | A | A | 0.0120 | |
| 44 | G | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | W | A | 0.1686 | |
| 49 | I | A | 0.0000 | |
| 50 | E | A | -1.1264 | |
| 51 | G | A | -0.6482 | |
| 52 | A | A | 0.0278 | |
| 53 | F | A | 0.4764 | |
| 54 | V | A | 0.3030 | |
| 55 | P | A | -0.0001 | |
| 56 | P | A | -0.0724 | |
| 57 | S | A | -0.5304 | |
| 58 | E | A | -1.8555 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | -0.5597 | |
| 61 | I | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | Q | A | -0.1067 | |
| 67 | G | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | Y | A | 0.1206 | |
| 70 | T | A | 0.0155 | |
| 71 | S | A | 0.0000 | |
| 72 | D | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | Y | A | 0.1268 | |
| 76 | T | A | 0.0000 | |
| 77 | T | A | -0.0148 | |
| 78 | F | A | 0.0000 | |
| 79 | H | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | W | A | 0.0000 | |
| 82 | N | A | -0.5223 | |
| 83 | G | A | 0.0000 | |
| 84 | N | A | -0.2542 | |
| 85 | A | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | R | A | -0.1825 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.4038 | |
| 90 | D | A | -0.6005 | |
| 91 | H | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | E | A | -1.7594 | |
| 94 | R | A | -0.5492 | |
| 95 | L | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | S | A | -0.1449 | |
| 98 | N | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | E | A | -2.0659 | |
| 101 | S | A | -0.4770 | |
| 102 | I | A | -0.0215 | |
| 103 | R | A | -1.9882 | |
| 104 | L | A | 0.0000 | |
| 105 | I | A | 2.0126 | |
| 106 | P | A | 0.0000 | |
| 107 | P | A | -0.2139 | |
| 108 | L | A | 0.1721 | |
| 109 | T | A | -0.1265 | |
| 110 | Q | A | -0.9336 | |
| 111 | D | A | -2.1233 | |
| 112 | E | A | -1.5782 | |
| 113 | V | A | 0.0000 | |
| 114 | K | A | -0.7304 | |
| 115 | E | A | -1.7252 | |
| 116 | I | A | -0.1316 | |
| 117 | A | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -1.1204 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | -0.1048 | |
| 123 | K | A | -0.8269 | |
| 124 | T | A | 0.0000 | |
| 125 | E | A | -0.2969 | |
| 126 | L | A | 0.0000 | |
| 127 | R | A | -0.5039 | |
| 128 | E | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | T | A | -0.0095 | |
| 133 | V | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | R | A | -0.1957 | |
| 138 | G | A | 0.0000 | |
| 139 | Y | A | 0.1426 | |
| 140 | S | A | 0.0000 | |
| 141 | S | A | -0.0741 | |
| 142 | T | A | -0.0351 | |
| 143 | P | A | -0.0434 | |
| 144 | F | A | 0.0000 | |
| 145 | E | A | -0.9109 | |
| 146 | R | A | -2.0567 | |
| 147 | D | A | -0.8887 | |
| 148 | I | A | 0.0999 | |
| 149 | T | A | -0.3365 | |
| 150 | K | A | -1.7332 | |
| 151 | H | A | -0.5487 | |
| 152 | R | A | -0.8428 | |
| 153 | P | A | -0.2427 | |
| 154 | Q | A | -0.1296 | |
| 155 | V | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | P | A | -0.0246 | |
| 162 | Y | A | 0.0000 | |
| 163 | Q | A | -0.1240 | |
| 164 | W | A | 0.2141 | |
| 165 | I | A | 0.4000 | |
| 166 | V | A | 0.0000 | |
| 167 | P | A | -0.1056 | |
| 168 | F | A | -0.1216 | |
| 169 | D | A | -1.7863 | |
| 170 | R | A | -1.1884 | |
| 171 | I | A | 0.0000 | |
| 172 | R | A | -1.9256 | |
| 173 | D | A | -2.1502 | |
| 174 | G | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | H | A | -0.1979 | |
| 177 | L | A | 0.0000 | |
| 178 | M | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | Q | A | -1.2365 | |
| 182 | S | A | -0.4278 | |
| 183 | V | A | 0.0000 | |
| 184 | R | A | -0.3943 | |
| 185 | R | A | -0.2470 | |
| 186 | T | A | 0.0000 | |
| 187 | P | A | -0.2717 | |
| 188 | R | A | -1.3191 | |
| 189 | S | A | -0.4361 | |
| 190 | S | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | D | A | -0.3981 | |
| 193 | P | A | 0.0000 | |
| 194 | Q | A | -0.3769 | |
| 195 | V | A | 0.0000 | |
| 196 | K | A | -0.3123 | |
| 197 | N | A | -0.2104 | |
| 198 | F | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | -0.0574 | |
| 202 | D | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | R | A | -0.5954 | |
| 206 | A | A | 0.0000 | |
| 207 | I | A | 0.2568 | |
| 208 | Q | A | -0.0977 | |
| 209 | E | A | 0.0000 | |
| 210 | T | A | 0.0000 | |
| 211 | H | A | -1.1500 | |
| 212 | D | A | -2.2693 | |
| 213 | R | A | -2.2493 | |
| 214 | G | A | -0.7139 | |
| 215 | F | A | 0.2820 | |
| 216 | E | A | -0.4678 | |
| 217 | L | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | D | A | -0.0837 | |
| 223 | C | A | 0.3737 | |
| 224 | D | A | -1.8582 | |
| 225 | N | A | -1.3922 | |
| 226 | L | A | 0.0634 | |
| 227 | L | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | E | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | G | A | -0.1107 | |
| 233 | F | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | K | A | -0.9166 | |
| 240 | D | A | -1.9390 | |
| 241 | G | A | -0.4831 | |
| 242 | V | A | 0.3644 | |
| 243 | V | A | 0.0000 | |
| 244 | R | A | -0.2533 | |
| 245 | S | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | G | A | -0.4834 | |
| 248 | R | A | -1.8940 | |
| 249 | A | A | -0.3282 | |
| 250 | A | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | P | A | -0.1619 | |
| 253 | G | A | -0.0852 | |
| 254 | I | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | R | A | 0.0000 | |
| 257 | K | A | -1.0637 | |
| 258 | T | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | -0.1519 | |
| 261 | E | A | -1.7891 | |
| 262 | I | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | E | A | -1.8585 | |
| 265 | S | A | -0.4423 | |
| 266 | L | A | 0.4361 | |
| 267 | G | A | -0.4096 | |
| 268 | H | A | -0.6519 | |
| 269 | E | A | -1.8615 | |
| 270 | A | A | -0.0986 | |
| 271 | I | A | 1.4777 | |
| 272 | L | A | 1.4398 | |
| 273 | A | A | 0.0317 | |
| 274 | D | A | -1.1002 | |
| 275 | I | A | 0.0000 | |
| 276 | T | A | -0.0358 | |
| 277 | P | A | -0.0322 | |
| 278 | A | A | -0.0459 | |
| 279 | E | A | -0.5329 | |
| 280 | L | A | 0.0000 | |
| 281 | Y | A | 0.0579 | |
| 282 | D | A | -1.7215 | |
| 283 | A | A | 0.0000 | |
| 284 | D | A | -0.6247 | |
| 285 | E | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | S | A | -0.0276 | |
| 291 | T | A | -0.0212 | |
| 292 | G | A | -0.0510 | |
| 293 | G | A | 0.0000 | |
| 294 | G | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | W | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | -0.0521 | |
| 301 | V | A | 0.0000 | |
| 302 | D | A | -0.7734 | |
| 303 | G | A | -0.7340 | |
| 304 | N | A | -0.9231 | |
| 305 | S | A | -0.3613 | |
| 306 | I | A | 0.0000 | |
| 307 | S | A | -0.5312 | |
| 308 | D | A | -1.8502 | |
| 309 | G | A | -0.1303 | |
| 310 | V | A | 1.7438 | |
| 311 | P | A | 0.2724 | |
| 312 | G | A | -0.1174 | |
| 313 | P | A | -0.2350 | |
| 314 | V | A | 0.1305 | |
| 315 | T | A | 0.0000 | |
| 316 | Q | A | -1.2131 | |
| 317 | S | A | -0.2985 | |
| 318 | I | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | R | A | -1.1493 | |
| 321 | R | A | -0.8968 | |
| 322 | Y | A | 0.0000 | |
| 323 | W | A | 0.0000 | |
| 324 | E | A | -0.9812 | |
| 325 | L | A | 0.0119 | |
| 326 | N | A | 0.0000 | |
| 327 | V | A | 0.8929 | |
| 328 | E | A | -0.9522 | |
| 329 | P | A | -0.4762 | |
| 330 | S | A | -0.2170 | |
| 331 | S | A | -0.1917 | |
| 332 | L | A | 0.2222 | |
| 333 | L | A | 0.2135 | |
| 334 | T | A | -0.0361 | |
| 335 | P | A | -0.2900 | |
| 336 | V | A | 0.0000 | |
| 337 | Q | A | -0.9607 | |
| 338 | Y | A | 1.0997 | |
| 1 | H | B | -1.1705 | |
| 2 | H | B | -1.3531 | |
| 3 | H | B | -1.3555 | |
| 4 | H | B | -1.3561 | |
| 5 | H | B | -1.3577 | |
| 6 | H | B | -1.2137 | |
| 7 | S | B | -0.4348 | |
| 8 | S | B | -0.3379 | |
| 9 | G | B | -0.4945 | |
| 10 | A | B | 0.0736 | |
| 11 | F | B | 0.5246 | |
| 12 | S | B | -0.1066 | |
| 13 | A | B | -0.3545 | |
| 14 | D | B | -1.7896 | |
| 15 | T | B | -0.4033 | |
| 16 | P | B | -0.5936 | |
| 17 | E | B | -1.7439 | |
| 18 | I | B | 0.6666 | |
| 19 | V | B | 1.9209 | |
| 20 | Y | B | 0.4530 | |
| 21 | T | B | -0.1095 | |
| 22 | H | B | -0.9281 | |
| 23 | D | B | -1.8991 | |
| 24 | T | B | 0.0000 | |
| 25 | G | B | -0.4367 | |
| 26 | L | B | -0.2412 | |
| 27 | D | B | -1.7142 | |
| 28 | Y | B | -0.0721 | |
| 29 | I | B | 0.0000 | |
| 30 | T | B | -0.0450 | |
| 31 | Y | B | 0.1221 | |
| 32 | S | B | -0.3346 | |
| 33 | D | B | -1.7546 | |
| 34 | Y | B | -0.4309 | |
| 35 | E | B | -1.7472 | |
| 36 | L | B | -0.3985 | |
| 37 | D | B | -1.3232 | |
| 38 | P | B | -0.4784 | |
| 39 | A | B | -0.0366 | |
| 40 | N | B | -0.3087 | |
| 41 | P | B | -0.3038 | |
| 42 | L | B | 0.0000 | |
| 43 | A | B | 0.0124 | |
| 44 | G | B | 0.0000 | |
| 45 | G | B | 0.0000 | |
| 46 | A | B | 0.0000 | |
| 47 | A | B | 0.0000 | |
| 48 | W | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | E | B | -0.4004 | |
| 51 | G | B | -0.2822 | |
| 52 | A | B | 0.0771 | |
| 53 | F | B | 0.4963 | |
| 54 | V | B | 0.3115 | |
| 55 | P | B | -0.0027 | |
| 56 | P | B | -0.0828 | |
| 57 | S | B | -0.5451 | |
| 58 | E | B | -1.8580 | |
| 59 | A | B | 0.0000 | |
| 60 | R | B | -0.6239 | |
| 61 | I | B | 0.0000 | |
| 62 | S | B | -0.1108 | |
| 63 | I | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | D | B | 0.0000 | |
| 66 | Q | B | -0.1186 | |
| 67 | G | B | 0.0000 | |
| 68 | F | B | 0.0000 | |
| 69 | Y | B | 0.1939 | |
| 70 | T | B | 0.0302 | |
| 71 | S | B | 0.0000 | |
| 72 | D | B | 0.0000 | |
| 73 | A | B | 0.0000 | |
| 74 | T | B | 0.0000 | |
| 75 | Y | B | 0.0000 | |
| 76 | T | B | 0.0000 | |
| 77 | T | B | -0.0104 | |
| 78 | F | B | 0.0000 | |
| 79 | H | B | 0.0000 | |
| 80 | V | B | 0.0000 | |
| 81 | W | B | 0.0000 | |
| 82 | N | B | -1.2730 | |
| 83 | G | B | 0.0000 | |
| 84 | N | B | -0.2302 | |
| 85 | A | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | R | B | -0.1945 | |
| 88 | L | B | 0.0000 | |
| 89 | G | B | -0.5240 | |
| 90 | D | B | -0.9292 | |
| 91 | H | B | 0.0000 | |
| 92 | I | B | 0.0000 | |
| 93 | E | B | -1.9835 | |
| 94 | R | B | -1.2462 | |
| 95 | L | B | 0.0000 | |
| 96 | F | B | 0.0000 | |
| 97 | S | B | -0.1946 | |
| 98 | N | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | E | B | -2.0605 | |
| 101 | S | B | -0.4748 | |
| 102 | I | B | -0.0100 | |
| 103 | R | B | -1.9810 | |
| 104 | L | B | 0.0000 | |
| 105 | I | B | 2.0126 | |
| 106 | P | B | 0.0000 | |
| 107 | P | B | -0.2226 | |
| 108 | L | B | 0.1233 | |
| 109 | T | B | -0.1443 | |
| 110 | Q | B | -0.9802 | |
| 111 | D | B | -1.9756 | |
| 112 | E | B | -0.7067 | |
| 113 | V | B | 0.0000 | |
| 114 | K | B | -0.7614 | |
| 115 | E | B | -1.8981 | |
| 116 | I | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -0.8278 | |
| 120 | L | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | A | B | -0.1048 | |
| 123 | K | B | -0.7971 | |
| 124 | T | B | 0.0000 | |
| 125 | E | B | -0.2976 | |
| 126 | L | B | 0.0000 | |
| 127 | R | B | -0.5199 | |
| 128 | E | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | M | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | T | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | I | B | 0.0000 | |
| 136 | T | B | 0.0000 | |
| 137 | R | B | 0.0000 | |
| 138 | G | B | 0.0000 | |
| 139 | Y | B | 0.0000 | |
| 140 | S | B | 0.0000 | |
| 141 | S | B | -0.1064 | |
| 142 | T | B | -0.0355 | |
| 143 | P | B | 0.0000 | |
| 144 | F | B | 0.0922 | |
| 145 | E | B | -0.8831 | |
| 146 | R | B | -1.6700 | |
| 147 | D | B | -0.6161 | |
| 148 | I | B | 0.0000 | |
| 149 | T | B | -0.3763 | |
| 150 | K | B | -1.7311 | |
| 151 | H | B | -0.5923 | |
| 152 | R | B | -1.0180 | |
| 153 | P | B | -0.2214 | |
| 154 | Q | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | Y | B | 0.0000 | |
| 157 | M | B | 0.0000 | |
| 158 | S | B | 0.0000 | |
| 159 | A | B | 0.0000 | |
| 160 | C | B | 0.0000 | |
| 161 | P | B | -0.0256 | |
| 162 | Y | B | 0.0000 | |
| 163 | Q | B | -0.1794 | |
| 164 | W | B | 0.2573 | |
| 165 | I | B | 0.6723 | |
| 166 | V | B | 0.0000 | |
| 167 | P | B | -0.1165 | |
| 168 | F | B | -0.1049 | |
| 169 | D | B | -1.9634 | |
| 170 | R | B | -1.7427 | |
| 171 | I | B | 0.0000 | |
| 172 | R | B | -2.0491 | |
| 173 | D | B | -2.2374 | |
| 174 | G | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | H | B | -0.5850 | |
| 177 | L | B | 0.0000 | |
| 178 | M | B | 0.0000 | |
| 179 | V | B | 0.0000 | |
| 180 | A | B | 0.0000 | |
| 181 | Q | B | -1.2367 | |
| 182 | S | B | -0.4291 | |
| 183 | V | B | 0.0000 | |
| 184 | R | B | -0.3392 | |
| 185 | R | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | P | B | -0.3692 | |
| 188 | R | B | -1.9256 | |
| 189 | S | B | -0.5441 | |
| 190 | S | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | D | B | -0.5240 | |
| 193 | P | B | 0.0000 | |
| 194 | Q | B | -0.5359 | |
| 195 | V | B | 0.0000 | |
| 196 | K | B | -0.3073 | |
| 197 | N | B | -0.2068 | |
| 198 | F | B | 0.0000 | |
| 199 | Q | B | 0.0000 | |
| 200 | W | B | 0.1377 | |
| 201 | G | B | -0.0292 | |
| 202 | D | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | I | B | 0.0000 | |
| 205 | R | B | -0.5421 | |
| 206 | A | B | 0.0000 | |
| 207 | I | B | 0.2911 | |
| 208 | Q | B | -0.1151 | |
| 209 | E | B | -0.2017 | |
| 210 | T | B | 0.0000 | |
| 211 | H | B | -1.1813 | |
| 212 | D | B | -2.0995 | |
| 213 | R | B | -1.2719 | |
| 214 | G | B | -0.5400 | |
| 215 | F | B | 0.2870 | |
| 216 | E | B | -0.3898 | |
| 217 | L | B | 0.0000 | |
| 218 | P | B | 0.0000 | |
| 219 | L | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | D | B | 0.0000 | |
| 223 | C | B | 0.4134 | |
| 224 | D | B | -1.8487 | |
| 225 | N | B | -1.3527 | |
| 226 | L | B | -0.0180 | |
| 227 | L | B | 0.0000 | |
| 228 | A | B | 0.0000 | |
| 229 | E | B | 0.0000 | |
| 230 | G | B | 0.0000 | |
| 231 | P | B | -0.0649 | |
| 232 | G | B | -0.1939 | |
| 233 | F | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | V | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | I | B | 0.0000 | |
| 239 | K | B | -0.8628 | |
| 240 | D | B | -1.9295 | |
| 241 | G | B | -0.4719 | |
| 242 | V | B | 0.4426 | |
| 243 | V | B | 0.0000 | |
| 244 | R | B | -0.2343 | |
| 245 | S | B | 0.0000 | |
| 246 | P | B | 0.0000 | |
| 247 | G | B | -0.4318 | |
| 248 | R | B | -1.8837 | |
| 249 | A | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | L | B | 0.1270 | |
| 252 | P | B | -0.0317 | |
| 253 | G | B | -0.1005 | |
| 254 | I | B | 0.0618 | |
| 255 | T | B | 0.0000 | |
| 256 | R | B | 0.0000 | |
| 257 | K | B | -1.1539 | |
| 258 | T | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | E | B | -1.8199 | |
| 262 | I | B | 0.0000 | |
| 263 | A | B | 0.0000 | |
| 264 | E | B | -1.8585 | |
| 265 | S | B | -0.4724 | |
| 266 | L | B | 0.2679 | |
| 267 | G | B | -0.4367 | |
| 268 | H | B | -0.6366 | |
| 269 | E | B | -1.8588 | |
| 270 | A | B | -0.1733 | |
| 271 | I | B | 1.0450 | |
| 272 | L | B | 1.2604 | |
| 273 | A | B | 0.0301 | |
| 274 | D | B | -1.0169 | |
| 275 | I | B | 0.0000 | |
| 276 | T | B | -0.0352 | |
| 277 | P | B | -0.0373 | |
| 278 | A | B | -0.0386 | |
| 279 | E | B | -0.4868 | |
| 280 | L | B | 0.0000 | |
| 281 | Y | B | 0.1754 | |
| 282 | D | B | -1.7003 | |
| 283 | A | B | 0.0000 | |
| 284 | D | B | -0.9137 | |
| 285 | E | B | 0.0000 | |
| 286 | V | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | G | B | 0.0000 | |
| 289 | C | B | 0.0000 | |
| 290 | S | B | -0.0298 | |
| 291 | T | B | -0.0341 | |
| 292 | G | B | -0.1180 | |
| 293 | G | B | 0.0000 | |
| 294 | G | B | 0.0000 | |
| 295 | V | B | 0.0000 | |
| 296 | W | B | 0.0000 | |
| 297 | P | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | V | B | 0.0000 | |
| 300 | S | B | 0.0000 | |
| 301 | V | B | 0.0000 | |
| 302 | D | B | -0.5507 | |
| 303 | G | B | -0.7053 | |
| 304 | N | B | -0.9838 | |
| 305 | S | B | -0.3697 | |
| 306 | I | B | 0.0000 | |
| 307 | S | B | -0.5318 | |
| 308 | D | B | -1.8512 | |
| 309 | G | B | -0.1350 | |
| 310 | V | B | 1.7434 | |
| 311 | P | B | 0.2761 | |
| 312 | G | B | -0.1181 | |
| 313 | P | B | -0.2353 | |
| 314 | V | B | 0.1294 | |
| 315 | T | B | 0.0000 | |
| 316 | Q | B | -1.2141 | |
| 317 | S | B | -0.3038 | |
| 318 | I | B | 0.0000 | |
| 319 | I | B | 0.0000 | |
| 320 | R | B | -1.2533 | |
| 321 | R | B | -1.1957 | |
| 322 | Y | B | 0.0000 | |
| 323 | W | B | 0.0000 | |
| 324 | E | B | -1.1725 | |
| 325 | L | B | 0.0727 | |
| 326 | N | B | 0.0000 | |
| 327 | V | B | 0.9662 | |
| 328 | E | B | -1.6040 | |
| 329 | P | B | -0.6025 | |
| 330 | S | B | -0.2354 | |
| 331 | S | B | -0.1854 | |
| 332 | L | B | 0.2769 | |
| 333 | L | B | 0.2274 | |
| 334 | T | B | -0.0388 | |
| 335 | P | B | -0.2876 | |
| 336 | V | B | 0.0000 | |
| 337 | Q | B | -0.9606 | |
| 338 | Y | B | 1.0996 |
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 |
|||
| VT19A | -0.3112 | -0.0037 | View | CSV | PDB |
| VT19B | -0.0102 | -0.0037 | View | CSV | PDB |
| IM105A | -0.0532 | -0.0015 | View | CSV | PDB |
| VM310B | -0.625 | -0.0005 | View | CSV | PDB |
| IL105A | -0.063 | -0.0004 | View | CSV | PDB |
| VA19A | 0.0126 | -0.0034 | View | CSV | PDB |
| IM105B | 0.0326 | -0.0015 | View | CSV | PDB |
| VA19B | 0.0932 | -0.0042 | View | CSV | PDB |
| VT310B | 0.0884 | -0.0038 | View | CSV | PDB |
| VT310A | 0.2329 | -0.0038 | View | CSV | PDB |
| IL105B | 0.0367 | -0.0004 | View | CSV | PDB |
| VA310A | 0.4585 | -0.0036 | View | CSV | PDB |