| Chain sequence(s) |
A: APNLEGGPSVFIFPPNIKDVLMISLTPKVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTIRVVSTLPIQHQDWMSGKEFKCKVNNKDLPSPIERTISKIKGLVRAPQVYTLPPPAEQLSRKDVSLTCLVVGFNPGDISVEWTSNGHTEENYKDTAPVLDSDGSYFIYSKLNMKTSKWEKTDSFSCNVRHEGLKNYYLKKTISRSPGK
B: APNLEGGPSVFIFPPNIKDVLMISLTPKVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTIRVVSTLPIQHQDWMSGKEFKCKVNNKDLPSPIERTISKIKGLVRAPQVYTLPPPAEQLSRKDVSLTCLVVGFNPGDISVEWTSNGHTEENYKDTAPVLDSDGSYFIYSKLNMKTSKWEKTDSFSCNVRHEGLKNYYLKKTISRSPGK 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 (00:03:44)
[INFO] Main: Simulation completed successfully. (00:03:47)
|
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 | A | A | -0.3538 | |
| 2 | P | A | -0.9244 | |
| 3 | N | A | -1.6400 | |
| 4 | L | A | -0.9776 | |
| 5 | E | A | -2.1070 | |
| 6 | G | A | -1.5061 | |
| 7 | G | A | -1.3628 | |
| 8 | P | A | 0.0000 | |
| 9 | S | A | -0.0264 | |
| 10 | V | A | 0.0000 | |
| 11 | F | A | 1.2080 | |
| 12 | I | A | 0.9676 | |
| 13 | F | A | 1.2229 | |
| 14 | P | A | 0.0241 | |
| 15 | P | A | 0.0000 | |
| 16 | N | A | -1.6788 | |
| 17 | I | A | 0.0000 | |
| 18 | K | A | -0.6527 | |
| 19 | D | A | -0.5277 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | M | A | 1.1298 | |
| 23 | I | A | 1.8072 | |
| 24 | S | A | 1.0317 | |
| 25 | L | A | 0.8240 | |
| 26 | T | A | -0.1941 | |
| 27 | P | A | 0.0000 | |
| 28 | K | A | -1.1490 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | 0.3430 | |
| 31 | C | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | V | A | -0.2898 | |
| 35 | D | A | -0.9462 | |
| 36 | V | A | 0.0000 | |
| 37 | S | A | -2.6050 | |
| 38 | E | A | -3.6149 | |
| 39 | D | A | -3.5062 | |
| 40 | D | A | -3.1954 | |
| 41 | P | A | -3.1165 | |
| 42 | D | A | -3.1019 | |
| 43 | V | A | -1.8650 | |
| 44 | Q | A | -1.8654 | |
| 45 | I | A | -1.0813 | |
| 46 | S | A | -1.0770 | |
| 47 | W | A | 0.0000 | |
| 48 | F | A | -1.0549 | |
| 49 | V | A | -1.0872 | |
| 50 | N | A | -2.1772 | |
| 51 | N | A | -1.6462 | |
| 52 | V | A | -0.0244 | |
| 53 | E | A | -1.3716 | |
| 54 | V | A | -0.5740 | |
| 55 | H | A | -1.3261 | |
| 56 | T | A | -0.9256 | |
| 57 | A | A | -0.9228 | |
| 58 | Q | A | -1.4863 | |
| 59 | T | A | -1.0050 | |
| 60 | Q | A | -1.2340 | |
| 61 | T | A | -1.4724 | |
| 62 | H | A | -2.1281 | |
| 63 | R | A | -3.1095 | |
| 64 | E | A | -2.0800 | |
| 65 | D | A | -1.9938 | |
| 66 | Y | A | -0.0674 | |
| 67 | N | A | -0.6690 | |
| 68 | S | A | -1.5884 | |
| 69 | T | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | R | A | -1.8323 | |
| 72 | V | A | 0.0000 | |
| 73 | V | A | -0.3635 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.5630 | |
| 76 | L | A | 0.0000 | |
| 77 | P | A | -0.8972 | |
| 78 | I | A | 0.0000 | |
| 79 | Q | A | -1.5915 | |
| 80 | H | A | -0.9757 | |
| 81 | Q | A | -1.5814 | |
| 82 | D | A | -1.7583 | |
| 83 | W | A | 0.0000 | |
| 84 | M | A | -0.7506 | |
| 85 | S | A | -1.1232 | |
| 86 | G | A | -1.1039 | |
| 87 | K | A | -1.9674 | |
| 88 | E | A | -2.2822 | |
| 89 | F | A | 0.0000 | |
| 90 | K | A | -1.7900 | |
| 91 | C | A | 0.0000 | |
| 92 | K | A | -1.7086 | |
| 93 | V | A | 0.0000 | |
| 94 | N | A | -1.9711 | |
| 95 | N | A | 0.0000 | |
| 96 | K | A | -3.1333 | |
| 97 | D | A | -2.5554 | |
| 98 | L | A | -1.3008 | |
| 99 | P | A | -0.9322 | |
| 100 | S | A | -0.9255 | |
| 101 | P | A | -1.2584 | |
| 102 | I | A | -0.9395 | |
| 103 | E | A | -2.1346 | |
| 104 | R | A | -1.3113 | |
| 105 | T | A | -1.0542 | |
| 106 | I | A | -0.0854 | |
| 107 | S | A | -0.5715 | |
| 108 | K | A | -0.2728 | |
| 109 | I | A | 0.9898 | |
| 110 | K | A | -0.5950 | |
| 111 | G | A | 0.0042 | |
| 112 | L | A | 1.3116 | |
| 113 | V | A | 0.7035 | |
| 114 | R | A | -0.9431 | |
| 115 | A | A | -0.7322 | |
| 116 | P | A | 0.0000 | |
| 117 | Q | A | -0.5491 | |
| 118 | V | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | T | A | -0.3945 | |
| 121 | L | A | 0.0000 | |
| 122 | P | A | -0.3839 | |
| 123 | P | A | 0.0000 | |
| 124 | P | A | -0.6051 | |
| 125 | A | A | -0.7963 | |
| 126 | E | A | -2.0565 | |
| 127 | Q | A | 0.0000 | |
| 128 | L | A | -1.9175 | |
| 129 | S | A | -1.9667 | |
| 130 | R | A | -3.6157 | |
| 131 | K | A | -3.7303 | |
| 132 | D | A | -3.5541 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | G | A | -0.7584 | |
| 142 | F | A | 0.0000 | |
| 143 | N | A | -0.2192 | |
| 144 | P | A | 0.0000 | |
| 145 | G | A | -0.0940 | |
| 146 | D | A | -1.0446 | |
| 147 | I | A | -0.6185 | |
| 148 | S | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | E | A | -0.8824 | |
| 151 | W | A | 0.0000 | |
| 152 | T | A | -1.3164 | |
| 153 | S | A | 0.0000 | |
| 154 | N | A | -2.1009 | |
| 155 | G | A | -1.5946 | |
| 156 | H | A | -1.8928 | |
| 157 | T | A | -1.5631 | |
| 158 | E | A | -1.8024 | |
| 159 | E | A | -2.5627 | |
| 160 | N | A | -1.9846 | |
| 161 | Y | A | -1.3996 | |
| 162 | K | A | -1.1390 | |
| 163 | D | A | -0.7349 | |
| 164 | T | A | 0.0000 | |
| 165 | A | A | -0.0383 | |
| 166 | P | A | 0.1532 | |
| 167 | V | A | 0.6017 | |
| 168 | L | A | 0.8371 | |
| 169 | D | A | -0.5135 | |
| 170 | S | A | -1.2116 | |
| 171 | D | A | -1.9240 | |
| 172 | G | A | -1.0312 | |
| 173 | S | A | 0.0000 | |
| 174 | Y | A | -0.0005 | |
| 175 | F | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | K | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | N | A | -1.4285 | |
| 182 | M | A | 0.0000 | |
| 183 | K | A | -3.5963 | |
| 184 | T | A | 0.0000 | |
| 185 | S | A | -2.9441 | |
| 186 | K | A | -3.0612 | |
| 187 | W | A | 0.0000 | |
| 188 | E | A | -3.6910 | |
| 189 | K | A | -3.5049 | |
| 190 | T | A | -2.9066 | |
| 191 | D | A | -3.2244 | |
| 192 | S | A | -1.9011 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | N | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | R | A | -0.3459 | |
| 199 | H | A | 0.0000 | |
| 200 | E | A | -0.5533 | |
| 201 | G | A | -0.5210 | |
| 202 | L | A | -0.8085 | |
| 203 | K | A | -1.8826 | |
| 204 | N | A | -1.5440 | |
| 205 | Y | A | -0.3363 | |
| 206 | Y | A | 0.0296 | |
| 207 | L | A | -0.4785 | |
| 208 | K | A | -1.3385 | |
| 209 | K | A | -1.2727 | |
| 210 | T | A | -0.7017 | |
| 211 | I | A | -0.6888 | |
| 212 | S | A | -1.3608 | |
| 213 | R | A | -2.5273 | |
| 214 | S | A | -1.5660 | |
| 215 | P | A | -1.5880 | |
| 216 | G | A | -1.6640 | |
| 217 | K | A | -2.0286 | |
| 1 | A | B | -0.3439 | |
| 2 | P | B | -0.8811 | |
| 3 | N | B | -1.5956 | |
| 4 | L | B | -0.8617 | |
| 5 | E | B | -2.0712 | |
| 6 | G | B | -1.4899 | |
| 7 | G | B | -1.3558 | |
| 8 | P | B | 0.0000 | |
| 9 | S | B | 0.0942 | |
| 10 | V | B | 0.0000 | |
| 11 | F | B | 1.5411 | |
| 12 | I | B | 1.1388 | |
| 13 | F | B | 1.3092 | |
| 14 | P | B | 0.0137 | |
| 15 | P | B | 0.0000 | |
| 16 | N | B | -1.7780 | |
| 17 | I | B | 0.0000 | |
| 18 | K | B | -0.9537 | |
| 19 | D | B | -0.6566 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | M | B | 0.9561 | |
| 23 | I | B | 1.7664 | |
| 24 | S | B | 1.0013 | |
| 25 | L | B | 0.7468 | |
| 26 | T | B | -0.1696 | |
| 27 | P | B | 0.0000 | |
| 28 | K | B | -1.1095 | |
| 29 | V | B | 0.0000 | |
| 30 | T | B | 0.4179 | |
| 31 | C | B | 0.0000 | |
| 32 | V | B | 0.8563 | |
| 33 | V | B | 0.0000 | |
| 34 | V | B | -0.1100 | |
| 35 | D | B | -0.9322 | |
| 36 | V | B | 0.0000 | |
| 37 | S | B | -2.3709 | |
| 38 | E | B | -3.5288 | |
| 39 | D | B | -3.3814 | |
| 40 | D | B | -2.9335 | |
| 41 | P | B | -2.9996 | |
| 42 | D | B | -3.0326 | |
| 43 | V | B | -1.8178 | |
| 44 | Q | B | -1.8612 | |
| 45 | I | B | -0.9365 | |
| 46 | S | B | -1.0627 | |
| 47 | W | B | 0.0000 | |
| 48 | F | B | -1.0797 | |
| 49 | V | B | -1.1738 | |
| 50 | N | B | -2.2550 | |
| 51 | N | B | -1.6756 | |
| 52 | V | B | -0.0274 | |
| 53 | E | B | -1.3465 | |
| 54 | V | B | -0.5336 | |
| 55 | H | B | -1.3033 | |
| 56 | T | B | -0.8869 | |
| 57 | A | B | -0.8968 | |
| 58 | Q | B | -1.4983 | |
| 59 | T | B | -0.9480 | |
| 60 | Q | B | -1.1035 | |
| 61 | T | B | -1.3426 | |
| 62 | H | B | -1.9724 | |
| 63 | R | B | -3.0389 | |
| 64 | E | B | -2.0387 | |
| 65 | D | B | -1.9938 | |
| 66 | Y | B | -0.0847 | |
| 67 | N | B | -0.8015 | |
| 68 | S | B | -1.5862 | |
| 69 | T | B | 0.0000 | |
| 70 | I | B | 0.0000 | |
| 71 | R | B | -1.6126 | |
| 72 | V | B | 0.0000 | |
| 73 | V | B | -0.1763 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | P | B | -0.7823 | |
| 78 | I | B | -0.8557 | |
| 79 | Q | B | -1.3431 | |
| 80 | H | B | -0.8732 | |
| 81 | Q | B | -1.5736 | |
| 82 | D | B | -1.8742 | |
| 83 | W | B | 0.0000 | |
| 84 | M | B | -0.7988 | |
| 85 | S | B | -1.2359 | |
| 86 | G | B | -1.2426 | |
| 87 | K | B | -2.2249 | |
| 88 | E | B | -2.6000 | |
| 89 | F | B | 0.0000 | |
| 90 | K | B | -1.8637 | |
| 91 | C | B | 0.0000 | |
| 92 | K | B | -1.6864 | |
| 93 | V | B | 0.0000 | |
| 94 | N | B | -1.9672 | |
| 95 | N | B | 0.0000 | |
| 96 | K | B | -3.0675 | |
| 97 | D | B | -2.4971 | |
| 98 | L | B | -1.2954 | |
| 99 | P | B | -0.9280 | |
| 100 | S | B | -0.9252 | |
| 101 | P | B | -1.2489 | |
| 102 | I | B | -0.9274 | |
| 103 | E | B | -2.1584 | |
| 104 | R | B | -1.2749 | |
| 105 | T | B | -1.0852 | |
| 106 | I | B | -0.1679 | |
| 107 | S | B | -0.7108 | |
| 108 | K | B | -0.3455 | |
| 109 | I | B | 0.9886 | |
| 110 | K | B | -0.6072 | |
| 111 | G | B | 0.0498 | |
| 112 | L | B | 1.3992 | |
| 113 | V | B | 0.8553 | |
| 114 | R | B | -0.3617 | |
| 115 | A | B | -0.4619 | |
| 116 | P | B | 0.0000 | |
| 117 | Q | B | -0.5796 | |
| 118 | V | B | 0.0000 | |
| 119 | Y | B | 0.0000 | |
| 120 | T | B | -0.2906 | |
| 121 | L | B | 0.0000 | |
| 122 | P | B | -0.3328 | |
| 123 | P | B | 0.0000 | |
| 124 | P | B | 0.0000 | |
| 125 | A | B | -0.7446 | |
| 126 | E | B | -1.9350 | |
| 127 | Q | B | 0.0000 | |
| 128 | L | B | -1.5381 | |
| 129 | S | B | -1.6084 | |
| 130 | R | B | -2.9423 | |
| 131 | K | B | -3.2265 | |
| 132 | D | B | -2.8595 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | T | B | 0.0000 | |
| 137 | C | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | V | B | 0.0000 | |
| 140 | V | B | 0.0000 | |
| 141 | G | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | N | B | 0.0055 | |
| 144 | P | B | 0.0000 | |
| 145 | G | B | -0.0522 | |
| 146 | D | B | -1.1682 | |
| 147 | I | B | -0.7066 | |
| 148 | S | B | -0.7103 | |
| 149 | V | B | 0.0000 | |
| 150 | E | B | -0.8309 | |
| 151 | W | B | 0.0000 | |
| 152 | T | B | -1.3125 | |
| 153 | S | B | -1.4538 | |
| 154 | N | B | -2.1091 | |
| 155 | G | B | -1.5998 | |
| 156 | H | B | -1.9003 | |
| 157 | T | B | -1.5697 | |
| 158 | E | B | -1.8050 | |
| 159 | E | B | -2.5771 | |
| 160 | N | B | -2.0441 | |
| 161 | Y | B | -1.3846 | |
| 162 | K | B | -1.1509 | |
| 163 | D | B | -0.7419 | |
| 164 | T | B | 0.0000 | |
| 165 | A | B | -0.0438 | |
| 166 | P | B | 0.1504 | |
| 167 | V | B | 0.6431 | |
| 168 | L | B | 0.9270 | |
| 169 | D | B | -0.4625 | |
| 170 | S | B | -1.1863 | |
| 171 | D | B | -1.9022 | |
| 172 | G | B | -0.9962 | |
| 173 | S | B | 0.0000 | |
| 174 | Y | B | 0.1098 | |
| 175 | F | B | 0.0000 | |
| 176 | I | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | K | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | N | B | -1.3330 | |
| 182 | M | B | 0.0000 | |
| 183 | K | B | -3.2931 | |
| 184 | T | B | 0.0000 | |
| 185 | S | B | -2.7829 | |
| 186 | K | B | -2.9812 | |
| 187 | W | B | 0.0000 | |
| 188 | E | B | -3.6175 | |
| 189 | K | B | -3.4622 | |
| 190 | T | B | -2.8534 | |
| 191 | D | B | -3.1441 | |
| 192 | S | B | -1.8317 | |
| 193 | F | B | 0.0000 | |
| 194 | S | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | N | B | 0.0000 | |
| 197 | V | B | 0.0000 | |
| 198 | R | B | -0.5547 | |
| 199 | H | B | 0.0000 | |
| 200 | E | B | -0.5426 | |
| 201 | G | B | -0.3733 | |
| 202 | L | B | -0.7949 | |
| 203 | K | B | -1.9196 | |
| 204 | N | B | -1.6070 | |
| 205 | Y | B | -0.4361 | |
| 206 | Y | B | -0.1585 | |
| 207 | L | B | -0.4163 | |
| 208 | K | B | -1.1426 | |
| 209 | K | B | -0.7971 | |
| 210 | T | B | -0.4797 | |
| 211 | I | B | -0.5153 | |
| 212 | S | B | -1.2199 | |
| 213 | R | B | -2.2434 | |
| 214 | S | B | -1.4295 | |
| 215 | P | B | -1.5139 | |
| 216 | G | B | -1.6206 | |
| 217 | K | B | -2.0288 |
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