| Chain sequence(s) |
A: TVPEVSSVFIFPPKPKDVLTITLTPKVTCVVVDISKDDPEVQFSWFVDDVEVHTAQTQPREEQFNSTFRSVSELPIMHQDWLNGKEFKCRVNSAAFPAPIEKTISKTKGRPKAPQVYTIPPPKEQMAKDKVSLTCMITDFFPEDITVEWQWNGQPAENYKNTQPIMDTDGSYFVYSKLNVQKSNWEAGNTFTCSVLHEGLHNHHTEKSLSHSPGK
B: TVPEVSSVFIFPPKPKDVLTITLTPKVTCVVVDISKDDPEVQFSWFVDDVEVHTAQTQPREEQFNSTFRSVSELPIMHQDWLNGKEFKCRVNSAAFPAPIEKTISKTKGRPKAPQVYTIPPPKEQMAKDKVSLTCMITDFFPEDITVEWQWNGQPAENYKNTQPIMDTDGSYFVYSKLNVQKSNWEAGNTFTCSVLHEGLHNHHTEKSLSHSPGK input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:45)
[INFO] Main: Simulation completed successfully. (00:04:48)
|
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 | T | A | 0.5097 | |
| 2 | V | A | 1.9193 | |
| 3 | P | A | 0.6738 | |
| 4 | E | A | -0.0639 | |
| 5 | V | A | 1.5127 | |
| 6 | S | A | 0.0000 | |
| 7 | S | A | 0.4697 | |
| 8 | V | A | 0.0000 | |
| 9 | F | A | 1.4233 | |
| 10 | I | A | 0.9901 | |
| 11 | F | A | 1.0899 | |
| 12 | P | A | -0.1371 | |
| 13 | P | A | 0.0000 | |
| 14 | K | A | -2.1294 | |
| 15 | P | A | -1.5361 | |
| 16 | K | A | -1.1069 | |
| 17 | D | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | T | A | 0.5895 | |
| 21 | I | A | 1.8353 | |
| 22 | T | A | 1.1173 | |
| 23 | L | A | 0.8537 | |
| 24 | T | A | 0.2060 | |
| 25 | P | A | 0.0000 | |
| 26 | K | A | -0.9674 | |
| 27 | V | A | 0.0000 | |
| 28 | T | A | 0.1619 | |
| 29 | C | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | V | A | -0.3819 | |
| 33 | D | A | -1.0794 | |
| 34 | I | A | 0.0000 | |
| 35 | S | A | -2.1692 | |
| 36 | K | A | -3.2736 | |
| 37 | D | A | -3.0010 | |
| 38 | D | A | -2.1267 | |
| 39 | P | A | -2.0242 | |
| 40 | E | A | -2.6890 | |
| 41 | V | A | -1.6005 | |
| 42 | Q | A | -1.7581 | |
| 43 | F | A | -1.2425 | |
| 44 | S | A | 0.0000 | |
| 45 | W | A | 0.0000 | |
| 46 | F | A | -0.8469 | |
| 47 | V | A | -0.9611 | |
| 48 | D | A | -2.0716 | |
| 49 | D | A | -1.8546 | |
| 50 | V | A | 0.1698 | |
| 51 | E | A | -0.7391 | |
| 52 | V | A | -0.3136 | |
| 53 | H | A | -1.1906 | |
| 54 | T | A | -0.8913 | |
| 55 | A | A | -1.1824 | |
| 56 | Q | A | -1.8027 | |
| 57 | T | A | -1.5014 | |
| 58 | Q | A | -2.1042 | |
| 59 | P | A | -1.9043 | |
| 60 | R | A | -2.7647 | |
| 61 | E | A | -3.3718 | |
| 62 | E | A | -3.1037 | |
| 63 | Q | A | -1.2137 | |
| 64 | F | A | 0.9384 | |
| 65 | N | A | -0.5226 | |
| 66 | S | A | -1.2519 | |
| 67 | T | A | 0.0000 | |
| 68 | F | A | -2.6172 | |
| 69 | R | A | -2.1672 | |
| 70 | S | A | 0.0000 | |
| 71 | V | A | -0.7733 | |
| 72 | S | A | 0.0000 | |
| 73 | E | A | -1.0606 | |
| 74 | L | A | 0.0000 | |
| 75 | P | A | -0.5141 | |
| 76 | I | A | -0.0258 | |
| 77 | M | A | 0.4642 | |
| 78 | H | A | -0.0624 | |
| 79 | Q | A | -1.1350 | |
| 80 | D | A | -1.5386 | |
| 81 | W | A | 0.0000 | |
| 82 | L | A | -1.2350 | |
| 83 | N | A | -2.2292 | |
| 84 | G | A | -2.0878 | |
| 85 | K | A | -2.3420 | |
| 86 | E | A | -2.1669 | |
| 87 | F | A | 0.0000 | |
| 88 | K | A | -1.6620 | |
| 89 | C | A | 0.0000 | |
| 90 | R | A | -1.7259 | |
| 91 | V | A | 0.0000 | |
| 92 | N | A | -1.3995 | |
| 93 | S | A | 0.0000 | |
| 94 | A | A | -0.4806 | |
| 95 | A | A | -0.2773 | |
| 96 | F | A | 0.2995 | |
| 97 | P | A | -0.1529 | |
| 98 | A | A | -0.2662 | |
| 99 | P | A | -0.8327 | |
| 100 | I | A | -0.8218 | |
| 101 | E | A | -2.1713 | |
| 102 | K | A | -1.2127 | |
| 103 | T | A | -0.8784 | |
| 104 | I | A | -0.2231 | |
| 105 | S | A | -1.1120 | |
| 106 | K | A | -1.3487 | |
| 107 | T | A | -1.3981 | |
| 108 | K | A | -2.4943 | |
| 109 | G | A | -2.3970 | |
| 110 | R | A | -2.7737 | |
| 111 | P | A | -2.0414 | |
| 112 | K | A | -2.2381 | |
| 113 | A | A | -1.4230 | |
| 114 | P | A | 0.0000 | |
| 115 | Q | A | -1.1980 | |
| 116 | V | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | T | A | -0.8526 | |
| 119 | I | A | 0.0000 | |
| 120 | P | A | -0.4713 | |
| 121 | P | A | -0.9955 | |
| 122 | P | A | 0.0000 | |
| 123 | K | A | -2.5377 | |
| 124 | E | A | -2.7837 | |
| 125 | Q | A | 0.0000 | |
| 126 | M | A | -2.0887 | |
| 127 | A | A | -1.7338 | |
| 128 | K | A | -2.7551 | |
| 129 | D | A | -3.3955 | |
| 130 | K | A | -3.2740 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | M | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | D | A | -1.6572 | |
| 140 | F | A | 0.0000 | |
| 141 | F | A | -1.4337 | |
| 142 | P | A | 0.0000 | |
| 143 | E | A | -0.8499 | |
| 144 | D | A | -1.3098 | |
| 145 | I | A | -0.7892 | |
| 146 | T | A | -0.8252 | |
| 147 | V | A | 0.0000 | |
| 148 | E | A | -1.4720 | |
| 149 | W | A | 0.0000 | |
| 150 | Q | A | -1.5981 | |
| 151 | W | A | -1.0044 | |
| 152 | N | A | -1.7042 | |
| 153 | G | A | -1.5758 | |
| 154 | Q | A | -1.9865 | |
| 155 | P | A | -1.7288 | |
| 156 | A | A | -1.6767 | |
| 157 | E | A | -2.3860 | |
| 158 | N | A | -1.6811 | |
| 159 | Y | A | -1.1487 | |
| 160 | K | A | -1.1568 | |
| 161 | N | A | -1.0575 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.3852 | |
| 164 | P | A | -0.6890 | |
| 165 | I | A | -0.0911 | |
| 166 | M | A | 0.1432 | |
| 167 | D | A | 0.0000 | |
| 168 | T | A | -1.0886 | |
| 169 | D | A | -1.9484 | |
| 170 | G | A | -0.9004 | |
| 171 | S | A | 0.0000 | |
| 172 | Y | A | -0.5447 | |
| 173 | F | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | K | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | Q | A | -3.1112 | |
| 182 | K | A | -2.9688 | |
| 183 | S | A | -2.3454 | |
| 184 | N | A | -2.1492 | |
| 185 | W | A | 0.0000 | |
| 186 | E | A | -2.6194 | |
| 187 | A | A | -1.5050 | |
| 188 | G | A | -1.3619 | |
| 189 | N | A | -1.1862 | |
| 190 | T | A | -0.7563 | |
| 191 | F | A | 0.0000 | |
| 192 | T | A | -1.2969 | |
| 193 | C | A | 0.0000 | |
| 194 | S | A | -1.2341 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | -0.8831 | |
| 197 | H | A | 0.0000 | |
| 198 | E | A | -0.9880 | |
| 199 | G | A | -1.3322 | |
| 200 | L | A | -1.2825 | |
| 201 | H | A | -1.7494 | |
| 202 | N | A | -1.7720 | |
| 203 | H | A | -1.2103 | |
| 204 | H | A | -1.4048 | |
| 205 | T | A | -1.4687 | |
| 206 | E | A | -2.0306 | |
| 207 | K | A | -1.6630 | |
| 208 | S | A | -1.0923 | |
| 209 | L | A | 0.0000 | |
| 210 | S | A | -0.8760 | |
| 211 | H | A | -1.2844 | |
| 212 | S | A | -1.2087 | |
| 213 | P | A | -1.4453 | |
| 214 | G | A | -1.5094 | |
| 215 | K | A | -2.0282 | |
| 1 | T | B | 0.4313 | |
| 2 | V | B | 1.7559 | |
| 3 | P | B | 0.4618 | |
| 4 | E | B | -0.5152 | |
| 5 | V | B | 1.3160 | |
| 6 | S | B | 0.0000 | |
| 7 | S | B | 0.3523 | |
| 8 | V | B | 0.0000 | |
| 9 | F | B | 1.3920 | |
| 10 | I | B | 1.0326 | |
| 11 | F | B | 1.0531 | |
| 12 | P | B | -0.1306 | |
| 13 | P | B | 0.0000 | |
| 14 | K | B | -2.1810 | |
| 15 | P | B | -1.5715 | |
| 16 | K | B | -1.1821 | |
| 17 | D | B | -0.8822 | |
| 18 | V | B | 0.0000 | |
| 19 | L | B | 0.0000 | |
| 20 | T | B | 0.4949 | |
| 21 | I | B | 1.7707 | |
| 22 | T | B | 1.0598 | |
| 23 | L | B | 0.7554 | |
| 24 | T | B | 0.1565 | |
| 25 | P | B | 0.0000 | |
| 26 | K | B | -0.8445 | |
| 27 | V | B | 0.0000 | |
| 28 | T | B | 0.2119 | |
| 29 | C | B | 0.0000 | |
| 30 | V | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | V | B | -0.5945 | |
| 33 | D | B | -1.2656 | |
| 34 | I | B | 0.0000 | |
| 35 | S | B | -2.3324 | |
| 36 | K | B | -3.3231 | |
| 37 | D | B | -3.0275 | |
| 38 | D | B | -2.1821 | |
| 39 | P | B | -2.0840 | |
| 40 | E | B | -2.8072 | |
| 41 | V | B | 0.0000 | |
| 42 | Q | B | -1.9056 | |
| 43 | F | B | -1.2175 | |
| 44 | S | B | -1.0831 | |
| 45 | W | B | 0.0000 | |
| 46 | F | B | 0.0000 | |
| 47 | V | B | -1.4089 | |
| 48 | D | B | -2.7537 | |
| 49 | D | B | -2.2834 | |
| 50 | V | B | -0.2143 | |
| 51 | E | B | -1.1553 | |
| 52 | V | B | -0.4944 | |
| 53 | H | B | -1.2692 | |
| 54 | T | B | -0.8940 | |
| 55 | A | B | -1.1275 | |
| 56 | Q | B | -1.7592 | |
| 57 | T | B | -1.4803 | |
| 58 | Q | B | -2.0741 | |
| 59 | P | B | -1.9196 | |
| 60 | R | B | -2.8133 | |
| 61 | E | B | -3.4080 | |
| 62 | E | B | -3.1411 | |
| 63 | Q | B | -1.1990 | |
| 64 | F | B | 0.9787 | |
| 65 | N | B | -0.4559 | |
| 66 | S | B | -1.2379 | |
| 67 | T | B | -2.1147 | |
| 68 | F | B | 0.0000 | |
| 69 | R | B | -2.2734 | |
| 70 | S | B | 0.0000 | |
| 71 | V | B | -0.7532 | |
| 72 | S | B | 0.0000 | |
| 73 | E | B | -0.9243 | |
| 74 | L | B | 0.0000 | |
| 75 | P | B | -0.3841 | |
| 76 | I | B | 0.0900 | |
| 77 | M | B | 0.5746 | |
| 78 | H | B | -0.0675 | |
| 79 | Q | B | -1.1187 | |
| 80 | D | B | -1.4735 | |
| 81 | W | B | 0.0000 | |
| 82 | L | B | -1.2119 | |
| 83 | N | B | -2.1971 | |
| 84 | G | B | -2.1194 | |
| 85 | K | B | -2.4433 | |
| 86 | E | B | -2.4823 | |
| 87 | F | B | 0.0000 | |
| 88 | K | B | -1.7130 | |
| 89 | C | B | 0.0000 | |
| 90 | R | B | -1.4817 | |
| 91 | V | B | 0.0000 | |
| 92 | N | B | -1.4980 | |
| 93 | S | B | 0.0000 | |
| 94 | A | B | -0.5472 | |
| 95 | A | B | -0.3256 | |
| 96 | F | B | 0.2364 | |
| 97 | P | B | -0.1840 | |
| 98 | A | B | -0.2090 | |
| 99 | P | B | -0.7114 | |
| 100 | I | B | -0.4143 | |
| 101 | E | B | -1.2562 | |
| 102 | K | B | -0.7944 | |
| 103 | T | B | -0.8094 | |
| 104 | I | B | -0.2628 | |
| 105 | S | B | -1.1931 | |
| 106 | K | B | -1.3401 | |
| 107 | T | B | -1.3996 | |
| 108 | K | B | -2.4988 | |
| 109 | G | B | -2.3892 | |
| 110 | R | B | -2.7649 | |
| 111 | P | B | -2.0107 | |
| 112 | K | B | -2.2159 | |
| 113 | A | B | -1.4420 | |
| 114 | P | B | 0.0000 | |
| 115 | Q | B | -1.1647 | |
| 116 | V | B | 0.0000 | |
| 117 | Y | B | 0.0000 | |
| 118 | T | B | -0.7919 | |
| 119 | I | B | 0.0000 | |
| 120 | P | B | -0.4780 | |
| 121 | P | B | 0.0000 | |
| 122 | P | B | 0.0000 | |
| 123 | K | B | -2.5375 | |
| 124 | E | B | -2.7999 | |
| 125 | Q | B | 0.0000 | |
| 126 | M | B | -2.0605 | |
| 127 | A | B | -1.7258 | |
| 128 | K | B | -2.7151 | |
| 129 | D | B | -3.2768 | |
| 130 | K | B | -2.9855 | |
| 131 | V | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | L | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | M | B | 0.0000 | |
| 137 | I | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | D | B | -1.7450 | |
| 140 | F | B | 0.0000 | |
| 141 | F | B | -1.4383 | |
| 142 | P | B | 0.0000 | |
| 143 | E | B | -0.8590 | |
| 144 | D | B | -1.2538 | |
| 145 | I | B | -0.7591 | |
| 146 | T | B | -0.9102 | |
| 147 | V | B | 0.0000 | |
| 148 | E | B | -1.8163 | |
| 149 | W | B | 0.0000 | |
| 150 | Q | B | -1.6535 | |
| 151 | W | B | -0.9949 | |
| 152 | N | B | -1.5909 | |
| 153 | G | B | -1.4674 | |
| 154 | Q | B | -1.7954 | |
| 155 | P | B | -1.6843 | |
| 156 | A | B | 0.0000 | |
| 157 | E | B | -2.3211 | |
| 158 | N | B | -1.4714 | |
| 159 | Y | B | -1.0816 | |
| 160 | K | B | -1.1417 | |
| 161 | N | B | -1.1378 | |
| 162 | T | B | 0.0000 | |
| 163 | Q | B | -1.4594 | |
| 164 | P | B | -0.7059 | |
| 165 | I | B | -0.0723 | |
| 166 | M | B | 0.1860 | |
| 167 | D | B | 0.0000 | |
| 168 | T | B | -1.1443 | |
| 169 | D | B | -1.9979 | |
| 170 | G | B | -0.9438 | |
| 171 | S | B | 0.0000 | |
| 172 | Y | B | -0.5688 | |
| 173 | F | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | K | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | N | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | Q | B | -2.9603 | |
| 182 | K | B | -2.8257 | |
| 183 | S | B | -2.2323 | |
| 184 | N | B | -2.0167 | |
| 185 | W | B | 0.0000 | |
| 186 | E | B | -2.5269 | |
| 187 | A | B | -1.4369 | |
| 188 | G | B | -1.3089 | |
| 189 | N | B | -1.1341 | |
| 190 | T | B | -0.7346 | |
| 191 | F | B | 0.0000 | |
| 192 | T | B | -1.2855 | |
| 193 | C | B | 0.0000 | |
| 194 | S | B | -1.3618 | |
| 195 | V | B | 0.0000 | |
| 196 | L | B | -0.9390 | |
| 197 | H | B | 0.0000 | |
| 198 | E | B | -0.9816 | |
| 199 | G | B | -1.3382 | |
| 200 | L | B | -1.2824 | |
| 201 | H | B | -1.7607 | |
| 202 | N | B | -1.7791 | |
| 203 | H | B | -1.2170 | |
| 204 | H | B | -1.4839 | |
| 205 | T | B | -1.5108 | |
| 206 | E | B | -2.1307 | |
| 207 | K | B | -1.4434 | |
| 208 | S | B | -0.9872 | |
| 209 | L | B | 0.0000 | |
| 210 | S | B | -0.8459 | |
| 211 | H | B | -1.2305 | |
| 212 | S | B | -1.1958 | |
| 213 | P | B | -1.4269 | |
| 214 | G | B | -1.5034 | |
| 215 | K | B | -2.0261 |
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