| Chain sequence(s) |
A: MNDRSPTRHGAPDDVFVAHGFEEKLVNLGEIDMNYAEAGSPTKPALLLLPSQSESWWGYEEVMHLLTDDFHVFAVDMRGQGRSTWTPGRYSLDNFGNDLVRFIDQVIGRPVIVAGNSSGGLIAAWLAAYSLPGQIRAAFAEDAPFFASELTPKVGHTIRQAAGHIFVNWRDFLGDQWCVGDYEAYLKAMRNSEIPMLRQVPLPDEAPQNLKEYDAEWARAFYDGTVAQTCPHHTMLAQVKAPVLVTHHFRLIDPTTAGLMGAMSDLQAEKAMELMREAGVKVDYVDAPDAPHIMHALEPERYVGILRDWVSTLPQA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | Yes |
| 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:35)
[INFO] Auto_mut: Residue number 179 from chain A and a score of 1.471 (valine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 252 from chain A and a score of 1.172 (isoleucine) selected
for automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 17 from chain A and a score of 1.147 (valine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 251 from chain A and a score of 1.125 (leucine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 178 from chain A and a score of 1.041 (cysteine) selected
for automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 260 from chain A and a score of 0.801 (methionine) selected
for automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 297 from chain A and a score of 0.644 (leucine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 293 from chain A and a score of 0.557 (isoleucine) selected
for automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 131 from chain A and a score of 0.511 (leucine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Residue number 18 from chain A and a score of 0.418 (alanine) selected for
automated muatation (00:03:37)
[INFO] Auto_mut: Mutating residue number 179 from chain A (valine) into glutamic acid (00:03:37)
[INFO] Auto_mut: Mutating residue number 252 from chain A (isoleucine) into glutamic acid (00:03:37)
[INFO] Auto_mut: Mutating residue number 17 from chain A (valine) into glutamic acid (00:03:37)
[INFO] Auto_mut: Mutating residue number 252 from chain A (isoleucine) into lysine (00:05:43)
[INFO] Auto_mut: Mutating residue number 17 from chain A (valine) into lysine (00:05:44)
[INFO] Auto_mut: Mutating residue number 179 from chain A (valine) into lysine (00:05:47)
[INFO] Auto_mut: Mutating residue number 252 from chain A (isoleucine) into aspartic acid (00:07:56)
[INFO] Auto_mut: Mutating residue number 17 from chain A (valine) into aspartic acid (00:07:58)
[INFO] Auto_mut: Mutating residue number 179 from chain A (valine) into aspartic acid (00:08:10)
[INFO] Auto_mut: Mutating residue number 252 from chain A (isoleucine) into arginine (00:09:58)
[INFO] Auto_mut: Mutating residue number 17 from chain A (valine) into arginine (00:10:01)
[INFO] Auto_mut: Mutating residue number 179 from chain A (valine) into arginine (00:10:06)
[INFO] Auto_mut: Mutating residue number 251 from chain A (leucine) into glutamic acid (00:12:01)
[INFO] Auto_mut: Mutating residue number 178 from chain A (cysteine) into glutamic acid (00:12:20)
[INFO] Auto_mut: Mutating residue number 260 from chain A (methionine) into glutamic acid (00:12:22)
[INFO] Auto_mut: Mutating residue number 251 from chain A (leucine) into lysine (00:14:00)
[INFO] Auto_mut: Mutating residue number 178 from chain A (cysteine) into lysine (00:14:25)
[INFO] Auto_mut: Mutating residue number 260 from chain A (methionine) into lysine (00:14:35)
[INFO] Auto_mut: Mutating residue number 251 from chain A (leucine) into aspartic acid (00:16:10)
[INFO] Auto_mut: Mutating residue number 260 from chain A (methionine) into aspartic acid (00:17:02)
[INFO] Auto_mut: Mutating residue number 178 from chain A (cysteine) into aspartic acid (00:17:12)
[INFO] Auto_mut: Mutating residue number 251 from chain A (leucine) into arginine (00:18:10)
[INFO] Auto_mut: Mutating residue number 260 from chain A (methionine) into arginine (00:19:05)
[INFO] Auto_mut: Mutating residue number 178 from chain A (cysteine) into arginine (00:19:16)
[INFO] Auto_mut: Mutating residue number 297 from chain A (leucine) into glutamic acid (00:20:15)
[INFO] Auto_mut: Mutating residue number 293 from chain A (isoleucine) into glutamic acid (00:21:14)
[INFO] Auto_mut: Mutating residue number 131 from chain A (leucine) into glutamic acid (00:21:41)
[INFO] Auto_mut: Mutating residue number 297 from chain A (leucine) into lysine (00:22:24)
[INFO] Auto_mut: Mutating residue number 293 from chain A (isoleucine) into lysine (00:23:31)
[INFO] Auto_mut: Mutating residue number 131 from chain A (leucine) into lysine (00:23:43)
[INFO] Auto_mut: Mutating residue number 297 from chain A (leucine) into aspartic acid (00:24:35)
[INFO] Auto_mut: Mutating residue number 131 from chain A (leucine) into aspartic acid (00:26:06)
[INFO] Auto_mut: Mutating residue number 293 from chain A (isoleucine) into aspartic acid (00:26:40)
[INFO] Auto_mut: Mutating residue number 297 from chain A (leucine) into arginine (00:26:45)
[INFO] Auto_mut: Mutating residue number 131 from chain A (leucine) into arginine (00:28:03)
[INFO] Auto_mut: Mutating residue number 293 from chain A (isoleucine) into arginine (00:28:50)
[INFO] Auto_mut: Mutating residue number 18 from chain A (alanine) into glutamic acid (00:28:53)
[INFO] Auto_mut: Mutating residue number 18 from chain A (alanine) into lysine (00:30:52)
[INFO] Auto_mut: Mutating residue number 18 from chain A (alanine) into aspartic acid (00:32:50)
[INFO] Auto_mut: Mutating residue number 18 from chain A (alanine) into arginine (00:34:50)
[INFO] Auto_mut: Effect of mutation residue number 179 from chain A (valine) into glutamic
acid: Energy difference: 0.5016 kcal/mol, Difference in average score from
the base case: -0.0341 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 179 from chain A (valine) into lysine:
Energy difference: -0.8549 kcal/mol, Difference in average score from the
base case: -0.0291 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 179 from chain A (valine) into aspartic
acid: Energy difference: 0.9648 kcal/mol, Difference in average score from
the base case: -0.0346 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 179 from chain A (valine) into arginine:
Energy difference: -1.2260 kcal/mol, Difference in average score from the
base case: -0.0269 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 252 from chain A (isoleucine) into
glutamic acid: Energy difference: 1.4652 kcal/mol, Difference in average
score from the base case: -0.0299 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 252 from chain A (isoleucine) into
lysine: Energy difference: 0.8737 kcal/mol, Difference in average score
from the base case: -0.0263 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 252 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.7859 kcal/mol, Difference in average
score from the base case: -0.0291 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 252 from chain A (isoleucine) into
arginine: Energy difference: 1.1229 kcal/mol, Difference in average score
from the base case: -0.0283 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (valine) into glutamic
acid: Energy difference: 0.1329 kcal/mol, Difference in average score from
the base case: -0.0274 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (valine) into lysine:
Energy difference: -0.5334 kcal/mol, Difference in average score from the
base case: -0.0242 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (valine) into aspartic
acid: Energy difference: -0.1234 kcal/mol, Difference in average score from
the base case: -0.0271 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (valine) into arginine:
Energy difference: -1.0841 kcal/mol, Difference in average score from the
base case: -0.0239 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 251 from chain A (leucine) into glutamic
acid: Energy difference: 1.4049 kcal/mol, Difference in average score from
the base case: -0.0187 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 251 from chain A (leucine) into lysine:
Energy difference: 0.4089 kcal/mol, Difference in average score from the
base case: -0.0122 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 251 from chain A (leucine) into aspartic
acid: Energy difference: 1.4955 kcal/mol, Difference in average score from
the base case: -0.0151 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 251 from chain A (leucine) into arginine:
Energy difference: 0.6519 kcal/mol, Difference in average score from the
base case: -0.0266 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (cysteine) into glutamic
acid: Energy difference: 0.1613 kcal/mol, Difference in average score from
the base case: -0.0276 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (cysteine) into lysine:
Energy difference: -1.0364 kcal/mol, Difference in average score from the
base case: -0.0127 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (cysteine) into aspartic
acid: Energy difference: 0.3908 kcal/mol, Difference in average score from
the base case: -0.0227 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (cysteine) into
arginine: Energy difference: -2.7528 kcal/mol, Difference in average score
from the base case: -0.0146 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 260 from chain A (methionine) into
glutamic acid: Energy difference: 1.4377 kcal/mol, Difference in average
score from the base case: -0.0099 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 260 from chain A (methionine) into
lysine: Energy difference: 0.8168 kcal/mol, Difference in average score
from the base case: -0.0107 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 260 from chain A (methionine) into
aspartic acid: Energy difference: 1.0792 kcal/mol, Difference in average
score from the base case: -0.0059 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 260 from chain A (methionine) into
arginine: Energy difference: 1.1099 kcal/mol, Difference in average score
from the base case: -0.0174 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (leucine) into glutamic
acid: Energy difference: 1.2866 kcal/mol, Difference in average score from
the base case: -0.0321 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (leucine) into lysine:
Energy difference: 0.3256 kcal/mol, Difference in average score from the
base case: -0.0304 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (leucine) into aspartic
acid: Energy difference: 1.6836 kcal/mol, Difference in average score from
the base case: -0.0340 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (leucine) into arginine:
Energy difference: 0.4871 kcal/mol, Difference in average score from the
base case: -0.0306 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 293 from chain A (isoleucine) into
glutamic acid: Energy difference: -0.2471 kcal/mol, Difference in average
score from the base case: -0.0163 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 293 from chain A (isoleucine) into
lysine: Energy difference: -0.3660 kcal/mol, Difference in average score
from the base case: -0.0038 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 293 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.9142 kcal/mol, Difference in average
score from the base case: -0.0098 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 293 from chain A (isoleucine) into
arginine: Energy difference: -0.5995 kcal/mol, Difference in average score
from the base case: -0.0129 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into glutamic
acid: Energy difference: 0.8970 kcal/mol, Difference in average score from
the base case: -0.0268 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into lysine:
Energy difference: -0.0245 kcal/mol, Difference in average score from the
base case: -0.0197 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into aspartic
acid: Energy difference: 1.4129 kcal/mol, Difference in average score from
the base case: -0.0258 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into arginine:
Energy difference: -1.7398 kcal/mol, Difference in average score from the
base case: -0.0171 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (alanine) into glutamic
acid: Energy difference: -0.3848 kcal/mol, Difference in average score from
the base case: -0.0172 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (alanine) into lysine:
Energy difference: -0.0030 kcal/mol, Difference in average score from the
base case: -0.0143 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (alanine) into aspartic
acid: Energy difference: 0.4380 kcal/mol, Difference in average score from
the base case: -0.0158 (00:37:06)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (alanine) into arginine:
Energy difference: -0.2494 kcal/mol, Difference in average score from the
base case: -0.0120 (00:37:06)
[INFO] Main: Simulation completed successfully. (00:37:19)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -0.2347 | |
| 2 | N | A | -2.0130 | |
| 3 | D | A | -2.8051 | |
| 4 | R | A | -2.5967 | |
| 5 | S | A | -1.8910 | |
| 6 | P | A | -1.6791 | |
| 7 | T | A | -1.7563 | |
| 8 | R | A | -2.2901 | |
| 9 | H | A | -1.4864 | |
| 10 | G | A | -1.3251 | |
| 11 | A | A | 0.0000 | |
| 12 | P | A | -2.4086 | |
| 13 | D | A | -2.8384 | |
| 14 | D | A | -2.2908 | |
| 15 | V | A | 0.0000 | |
| 16 | F | A | -0.2078 | |
| 17 | V | A | 1.1468 | |
| 18 | A | A | 0.4180 | |
| 19 | H | A | -0.4156 | |
| 20 | G | A | -1.3119 | |
| 21 | F | A | -1.4620 | |
| 22 | E | A | -2.4940 | |
| 23 | E | A | -1.9281 | |
| 24 | K | A | -1.2217 | |
| 25 | L | A | 0.2047 | |
| 26 | V | A | -0.3658 | |
| 27 | N | A | -1.6460 | |
| 28 | L | A | 0.0000 | |
| 29 | G | A | -1.8112 | |
| 30 | E | A | -2.3180 | |
| 31 | I | A | 0.0000 | |
| 32 | D | A | 0.0000 | |
| 33 | M | A | 0.0000 | |
| 34 | N | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | E | A | -1.1067 | |
| 38 | A | A | 0.0000 | |
| 39 | G | A | -1.2374 | |
| 40 | S | A | -1.0405 | |
| 41 | P | A | -0.6675 | |
| 42 | T | A | -0.6696 | |
| 43 | K | A | -1.3701 | |
| 44 | P | A | -0.7620 | |
| 45 | A | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | P | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 52 | Q | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | E | A | 0.0000 | |
| 55 | S | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | W | A | -0.4233 | |
| 58 | G | A | -0.1562 | |
| 59 | Y | A | 0.0000 | |
| 60 | E | A | -1.3641 | |
| 61 | E | A | -2.3074 | |
| 62 | V | A | 0.0000 | |
| 63 | M | A | 0.0000 | |
| 64 | H | A | -1.5733 | |
| 65 | L | A | -0.9914 | |
| 66 | L | A | 0.0000 | |
| 67 | T | A | -1.3694 | |
| 68 | D | A | -2.2209 | |
| 69 | D | A | -1.7030 | |
| 70 | F | A | 0.0000 | |
| 71 | H | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | D | A | 0.0000 | |
| 77 | M | A | 0.0000 | |
| 78 | R | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Q | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | R | A | -1.0191 | |
| 83 | S | A | 0.0000 | |
| 84 | T | A | -1.0943 | |
| 85 | W | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | P | A | -1.0532 | |
| 88 | G | A | -1.5169 | |
| 89 | R | A | -2.1920 | |
| 90 | Y | A | 0.0000 | |
| 91 | S | A | -1.1716 | |
| 92 | L | A | 0.0000 | |
| 93 | D | A | -1.1470 | |
| 94 | N | A | -1.4360 | |
| 95 | F | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | N | A | -1.0345 | |
| 98 | D | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | V | A | -0.8822 | |
| 101 | R | A | -1.9293 | |
| 102 | F | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | -2.6786 | |
| 105 | Q | A | -2.3851 | |
| 106 | V | A | -0.9860 | |
| 107 | I | A | 0.0000 | |
| 108 | G | A | -1.7446 | |
| 109 | R | A | -1.3998 | |
| 110 | P | A | -0.9920 | |
| 111 | V | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | W | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | Y | A | 0.1178 | |
| 130 | S | A | 0.1779 | |
| 131 | L | A | 0.5111 | |
| 132 | P | A | -0.2038 | |
| 133 | G | A | -0.6859 | |
| 134 | Q | A | 0.0000 | |
| 135 | I | A | -0.3061 | |
| 136 | R | A | -0.8496 | |
| 137 | A | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | E | A | 0.0000 | |
| 150 | L | A | -0.5929 | |
| 151 | T | A | -0.5255 | |
| 152 | P | A | -0.8250 | |
| 153 | K | A | -1.8044 | |
| 154 | V | A | -0.6652 | |
| 155 | G | A | -0.5862 | |
| 156 | H | A | -0.5148 | |
| 157 | T | A | -0.8458 | |
| 158 | I | A | 0.0000 | |
| 159 | R | A | -1.9012 | |
| 160 | Q | A | -1.2365 | |
| 161 | A | A | 0.0000 | |
| 162 | A | A | -0.2765 | |
| 163 | G | A | 0.0000 | |
| 164 | H | A | -0.3649 | |
| 165 | I | A | 0.2151 | |
| 166 | F | A | 0.0000 | |
| 167 | V | A | -0.6909 | |
| 168 | N | A | -0.3865 | |
| 169 | W | A | 0.0000 | |
| 170 | R | A | -0.7772 | |
| 171 | D | A | -1.1753 | |
| 172 | F | A | -0.3090 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | D | A | -0.4526 | |
| 176 | Q | A | -0.3489 | |
| 177 | W | A | 0.0000 | |
| 178 | C | A | 1.0413 | |
| 179 | V | A | 1.4712 | |
| 180 | G | A | -0.0880 | |
| 181 | D | A | -1.0008 | |
| 182 | Y | A | 0.0000 | |
| 183 | E | A | -3.0732 | |
| 184 | A | A | -1.9810 | |
| 185 | Y | A | 0.0000 | |
| 186 | L | A | -2.6769 | |
| 187 | K | A | -3.2081 | |
| 188 | A | A | -2.3222 | |
| 189 | M | A | 0.0000 | |
| 190 | R | A | -3.8805 | |
| 191 | N | A | -3.3924 | |
| 192 | S | A | -2.7757 | |
| 193 | E | A | -2.4794 | |
| 194 | I | A | -1.5161 | |
| 195 | P | A | -1.4893 | |
| 196 | M | A | -0.9369 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -3.3869 | |
| 199 | Q | A | -1.9730 | |
| 200 | V | A | -0.7187 | |
| 201 | P | A | -0.7462 | |
| 202 | L | A | -0.8234 | |
| 203 | P | A | -1.3535 | |
| 204 | D | A | -2.9402 | |
| 205 | E | A | -3.0299 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -1.0855 | |
| 208 | Q | A | -0.4700 | |
| 209 | N | A | -0.4750 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -0.8569 | |
| 212 | E | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | E | A | -0.9523 | |
| 217 | W | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | R | A | -1.5549 | |
| 220 | A | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | Y | A | -1.1963 | |
| 223 | D | A | -2.1199 | |
| 224 | G | A | -1.2846 | |
| 225 | T | A | -1.3399 | |
| 226 | V | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | Q | A | -1.4693 | |
| 229 | T | A | -0.7715 | |
| 230 | C | A | 0.0000 | |
| 231 | P | A | -0.7573 | |
| 232 | H | A | 0.0000 | |
| 233 | H | A | -0.8611 | |
| 234 | T | A | -0.4992 | |
| 235 | M | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | A | A | -1.4149 | |
| 238 | Q | A | -1.2151 | |
| 239 | V | A | 0.0000 | |
| 240 | K | A | -2.0448 | |
| 241 | A | A | 0.0000 | |
| 242 | P | A | -1.0984 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | H | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | F | A | 0.1357 | |
| 250 | R | A | 0.2450 | |
| 251 | L | A | 1.1247 | |
| 252 | I | A | 1.1717 | |
| 253 | D | A | 0.0000 | |
| 254 | P | A | 0.0650 | |
| 255 | T | A | -0.0506 | |
| 256 | T | A | -0.0290 | |
| 257 | A | A | 0.1966 | |
| 258 | G | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | M | A | 0.8013 | |
| 261 | G | A | 0.4124 | |
| 262 | A | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | D | A | -1.6336 | |
| 266 | L | A | -0.1159 | |
| 267 | Q | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | E | A | -2.2849 | |
| 270 | K | A | -2.1876 | |
| 271 | A | A | 0.0000 | |
| 272 | M | A | 0.0000 | |
| 273 | E | A | -2.9082 | |
| 274 | L | A | -2.1867 | |
| 275 | M | A | 0.0000 | |
| 276 | R | A | -3.4629 | |
| 277 | E | A | -3.2368 | |
| 278 | A | A | -2.3805 | |
| 279 | G | A | -2.1638 | |
| 280 | V | A | -1.9334 | |
| 281 | K | A | -1.9689 | |
| 282 | V | A | -1.1596 | |
| 283 | D | A | -0.3106 | |
| 284 | Y | A | 0.1605 | |
| 285 | V | A | -0.0553 | |
| 286 | D | A | -1.6207 | |
| 287 | A | A | 0.0000 | |
| 288 | P | A | -1.0496 | |
| 289 | D | A | -1.8952 | |
| 290 | A | A | 0.0000 | |
| 291 | P | A | -0.1290 | |
| 292 | H | A | -0.0291 | |
| 293 | I | A | 0.5566 | |
| 294 | M | A | 0.0000 | |
| 295 | H | A | 0.0000 | |
| 296 | A | A | -0.0196 | |
| 297 | L | A | 0.6445 | |
| 298 | E | A | -1.0893 | |
| 299 | P | A | -1.5268 | |
| 300 | E | A | -2.3843 | |
| 301 | R | A | -1.8549 | |
| 302 | Y | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | G | A | -1.6487 | |
| 305 | I | A | -1.1473 | |
| 306 | L | A | 0.0000 | |
| 307 | R | A | -2.3187 | |
| 308 | D | A | -2.4174 | |
| 309 | W | A | 0.0000 | |
| 310 | V | A | -1.0769 | |
| 311 | S | A | -1.3004 | |
| 312 | T | A | -0.8899 | |
| 313 | L | A | 0.0000 | |
| 314 | P | A | -0.8887 | |
| 315 | Q | A | -1.3437 | |
| 316 | A | A | -0.6922 |
Automated mutations analysis
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine.
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 |
|||
| CR178A | -2.7528 | -0.0146 | View | CSV | PDB |
| VR179A | -1.226 | -0.0269 | View | CSV | PDB |
| VK179A | -0.8549 | -0.0291 | View | CSV | PDB |
| LR131A | -1.7398 | -0.0171 | View | CSV | PDB |
| VR17A | -1.0841 | -0.0239 | View | CSV | PDB |
| VK17A | -0.5334 | -0.0242 | View | CSV | PDB |
| CK178A | -1.0364 | -0.0127 | View | CSV | PDB |
| AE18A | -0.3848 | -0.0172 | View | CSV | PDB |
| IR293A | -0.5995 | -0.0129 | View | CSV | PDB |
| IE293A | -0.2471 | -0.0163 | View | CSV | PDB |
| LK131A | -0.0245 | -0.0197 | View | CSV | PDB |
| AR18A | -0.2494 | -0.012 | View | CSV | PDB |
| LK297A | 0.3256 | -0.0304 | View | CSV | PDB |
| LR297A | 0.4871 | -0.0306 | View | CSV | PDB |
| LR251A | 0.6519 | -0.0266 | View | CSV | PDB |
| IK252A | 0.8737 | -0.0263 | View | CSV | PDB |
| LK251A | 0.4089 | -0.0122 | View | CSV | PDB |
| IR252A | 1.1229 | -0.0283 | View | CSV | PDB |
| MR260A | 1.1099 | -0.0174 | View | CSV | PDB |
| MK260A | 0.8168 | -0.0107 | 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