| Chain sequence(s) |
A: DVKVTQSSRYLVKRTGEKVFLECVQDMDHENMFWYRQDPGLGLRLIYFSYDVKMKEKGDIPEGYSVSREKKERFSLILESASTNQTSMYLCASSLLGAQYFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD
B: QKEVEQNSGPLSVPEGAIASLNCTYSDRGSQSFFWYRQYSGKSPELIMFIYSNGDKEDGRFTAQLNKASQYVSLLIRDSQPSDSATYLCAVPGGYQKVTFGTGTKLQVIPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSNSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDT 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:38)
[INFO] Main: Simulation completed successfully. (00:05:41)
|
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 | D | A | -1.8407 | |
| 2 | V | A | -1.0225 | |
| 3 | K | A | -1.7529 | |
| 4 | V | A | 0.0000 | |
| 5 | T | A | -0.7386 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.3722 | |
| 8 | S | A | -0.7858 | |
| 9 | R | A | -1.5851 | |
| 10 | Y | A | -0.6296 | |
| 11 | L | A | -0.2157 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -2.1500 | |
| 14 | R | A | -3.4445 | |
| 15 | T | A | -2.7645 | |
| 16 | G | A | -2.7377 | |
| 17 | E | A | -3.4120 | |
| 18 | K | A | -3.0834 | |
| 19 | V | A | 0.0000 | |
| 20 | F | A | 0.5566 | |
| 21 | L | A | 0.0000 | |
| 22 | E | A | -0.0682 | |
| 23 | C | A | 0.0000 | |
| 24 | V | A | -1.2199 | |
| 25 | Q | A | 0.0000 | |
| 26 | D | A | -2.9080 | |
| 27 | M | A | -1.9963 | |
| 28 | D | A | -2.8281 | |
| 29 | H | A | 0.0000 | |
| 30 | E | A | -1.8730 | |
| 31 | N | A | 0.0000 | |
| 32 | M | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | W | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | R | A | -0.4323 | |
| 37 | Q | A | -0.5038 | |
| 38 | D | A | -0.3560 | |
| 39 | P | A | -0.2865 | |
| 40 | G | A | -0.2059 | |
| 41 | L | A | 0.4363 | |
| 42 | G | A | -0.0228 | |
| 43 | L | A | -0.2450 | |
| 44 | R | A | -1.0609 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Y | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | Y | A | -0.6582 | |
| 51 | D | A | -1.9913 | |
| 52 | V | A | -2.5087 | |
| 53 | K | A | -2.7267 | |
| 54 | M | A | -1.5605 | |
| 55 | K | A | -2.6155 | |
| 56 | E | A | -2.6066 | |
| 57 | K | A | -3.2610 | |
| 58 | G | A | -2.5721 | |
| 59 | D | A | -2.4337 | |
| 60 | I | A | -1.5281 | |
| 61 | P | A | -2.0172 | |
| 62 | E | A | -2.3247 | |
| 63 | G | A | -1.7154 | |
| 64 | Y | A | 0.0000 | |
| 65 | S | A | -0.9944 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -1.5477 | |
| 68 | R | A | 0.0000 | |
| 69 | E | A | -3.6632 | |
| 70 | K | A | -3.9145 | |
| 71 | K | A | -3.8502 | |
| 72 | E | A | -3.6235 | |
| 73 | R | A | -2.8192 | |
| 74 | F | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -2.6671 | |
| 80 | S | A | -2.5747 | |
| 81 | A | A | 0.0000 | |
| 82 | S | A | -1.7655 | |
| 83 | T | A | -1.4162 | |
| 84 | N | A | -1.3724 | |
| 85 | Q | A | 0.0000 | |
| 86 | T | A | -0.6307 | |
| 87 | S | A | 0.0000 | |
| 88 | M | A | -0.6953 | |
| 89 | Y | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | L | A | 1.3292 | |
| 96 | L | A | 1.8249 | |
| 97 | G | A | 0.6280 | |
| 98 | A | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | Y | A | 0.1532 | |
| 101 | F | A | -0.1999 | |
| 102 | G | A | 0.0000 | |
| 103 | P | A | -1.2687 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | R | A | -0.9014 | |
| 107 | L | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | -2.9993 | |
| 112 | D | A | -2.4788 | |
| 113 | L | A | 0.0000 | |
| 114 | K | A | -1.9827 | |
| 115 | N | A | -1.5255 | |
| 116 | V | A | 0.0000 | |
| 117 | F | A | -0.2786 | |
| 118 | P | A | -0.0989 | |
| 119 | P | A | 0.0000 | |
| 120 | E | A | -1.7423 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | -1.2138 | |
| 123 | V | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | E | A | -1.2994 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | E | A | -2.4581 | |
| 129 | A | A | -1.4156 | |
| 130 | E | A | 0.0000 | |
| 131 | I | A | -1.4186 | |
| 132 | S | A | -1.4525 | |
| 133 | H | A | -1.8663 | |
| 134 | T | A | -1.5825 | |
| 135 | Q | A | -1.7412 | |
| 136 | K | A | -1.0017 | |
| 137 | A | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | C | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | T | A | -0.7965 | |
| 145 | G | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | D | A | -0.6745 | |
| 150 | H | A | 0.0000 | |
| 151 | V | A | 0.0528 | |
| 152 | E | A | -0.2072 | |
| 153 | L | A | 0.1163 | |
| 154 | S | A | -0.5531 | |
| 155 | W | A | 0.0000 | |
| 156 | W | A | -1.7352 | |
| 157 | V | A | 0.0000 | |
| 158 | N | A | -1.9478 | |
| 159 | G | A | -2.0278 | |
| 160 | K | A | -2.9180 | |
| 161 | E | A | -2.8575 | |
| 162 | V | A | -1.4693 | |
| 163 | H | A | -1.3716 | |
| 164 | S | A | -1.1829 | |
| 165 | G | A | 0.0000 | |
| 166 | V | A | 0.0714 | |
| 167 | C | A | -0.0197 | |
| 168 | T | A | -0.2510 | |
| 169 | D | A | -1.0466 | |
| 170 | P | A | -1.2732 | |
| 171 | Q | A | -1.8084 | |
| 172 | P | A | -1.1159 | |
| 173 | L | A | -1.1211 | |
| 174 | K | A | -1.8694 | |
| 175 | E | A | -1.6050 | |
| 176 | Q | A | -2.1241 | |
| 177 | P | A | -1.2684 | |
| 178 | A | A | -0.5052 | |
| 179 | L | A | -0.4958 | |
| 180 | N | A | -1.5840 | |
| 181 | D | A | -1.7402 | |
| 182 | S | A | 0.0000 | |
| 183 | R | A | -1.5707 | |
| 184 | Y | A | -1.0881 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | R | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | R | A | 0.0000 | |
| 192 | V | A | 0.1915 | |
| 193 | S | A | -0.1084 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | -0.2288 | |
| 196 | F | A | 0.0919 | |
| 197 | W | A | 0.0000 | |
| 198 | Q | A | -1.0622 | |
| 199 | D | A | -1.2084 | |
| 200 | P | A | -1.3828 | |
| 201 | R | A | -2.0387 | |
| 202 | N | A | 0.0000 | |
| 203 | H | A | -1.0383 | |
| 204 | F | A | 0.0000 | |
| 205 | R | A | -1.1122 | |
| 206 | C | A | 0.0000 | |
| 207 | Q | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | Q | A | 0.4052 | |
| 210 | F | A | 0.0000 | |
| 211 | Y | A | 0.1953 | |
| 212 | G | A | -0.0845 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -1.6540 | |
| 215 | E | A | -2.8267 | |
| 216 | N | A | -2.7883 | |
| 217 | D | A | -2.7170 | |
| 218 | E | A | -2.7135 | |
| 219 | W | A | -1.9561 | |
| 220 | T | A | -1.3651 | |
| 221 | Q | A | -2.0605 | |
| 222 | D | A | -2.2923 | |
| 223 | R | A | -1.5970 | |
| 224 | A | A | -0.6878 | |
| 225 | K | A | -1.2335 | |
| 226 | P | A | 0.0000 | |
| 227 | V | A | 0.0425 | |
| 228 | T | A | 0.2061 | |
| 229 | Q | A | 0.7259 | |
| 230 | I | A | 1.8600 | |
| 231 | V | A | 0.6766 | |
| 232 | S | A | -0.0596 | |
| 233 | A | A | -0.9295 | |
| 234 | E | A | -0.9788 | |
| 235 | A | A | 0.0000 | |
| 236 | W | A | -0.0078 | |
| 237 | G | A | 0.0000 | |
| 238 | R | A | -1.1929 | |
| 239 | A | A | -1.4407 | |
| 240 | D | A | -2.2706 | |
| 1 | Q | B | -2.4020 | |
| 2 | K | B | -3.0255 | |
| 3 | E | B | -2.2907 | |
| 4 | V | B | 0.0000 | |
| 5 | E | B | -3.0172 | |
| 6 | Q | B | -2.2002 | |
| 7 | N | B | -2.2891 | |
| 8 | S | B | -1.5570 | |
| 9 | G | B | -1.1988 | |
| 10 | P | B | -1.0358 | |
| 11 | L | B | -0.6087 | |
| 12 | S | B | -0.4652 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -0.6058 | |
| 15 | E | B | -1.0299 | |
| 16 | G | B | -1.2833 | |
| 17 | A | B | -0.3330 | |
| 18 | I | B | 0.5417 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.0633 | |
| 21 | L | B | 0.0000 | |
| 22 | N | B | -1.7479 | |
| 23 | C | B | 0.0000 | |
| 24 | T | B | -1.4530 | |
| 25 | Y | B | 0.0000 | |
| 26 | S | B | -2.0407 | |
| 27 | D | B | -2.2615 | |
| 28 | R | B | -2.8059 | |
| 29 | G | B | -2.0720 | |
| 30 | S | B | 0.0000 | |
| 31 | Q | B | -1.7893 | |
| 32 | S | B | -0.1337 | |
| 33 | F | B | 0.0000 | |
| 34 | F | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | R | B | -1.0345 | |
| 38 | Q | B | 0.0000 | |
| 39 | Y | B | -0.8888 | |
| 40 | S | B | -1.1130 | |
| 41 | G | B | -1.5839 | |
| 42 | K | B | -2.1670 | |
| 43 | S | B | -1.3231 | |
| 44 | P | B | 0.0000 | |
| 45 | E | B | -1.7734 | |
| 46 | L | B | -0.2481 | |
| 47 | I | B | -0.1435 | |
| 48 | M | B | 0.0000 | |
| 49 | F | B | 0.7489 | |
| 50 | I | B | 0.0000 | |
| 51 | Y | B | -0.0619 | |
| 52 | S | B | -1.2322 | |
| 53 | N | B | -2.2588 | |
| 54 | G | B | -2.1077 | |
| 55 | D | B | -3.0625 | |
| 56 | K | B | -2.7172 | |
| 57 | E | B | -3.4627 | |
| 58 | D | B | -2.9893 | |
| 59 | G | B | -2.1578 | |
| 60 | R | B | -2.0430 | |
| 61 | F | B | -1.6064 | |
| 62 | T | B | 0.0000 | |
| 63 | A | B | 0.0000 | |
| 64 | Q | B | -1.7505 | |
| 65 | L | B | 0.0000 | |
| 66 | N | B | -1.3635 | |
| 67 | K | B | -1.5856 | |
| 68 | A | B | -0.8113 | |
| 69 | S | B | -0.6242 | |
| 70 | Q | B | -0.8747 | |
| 71 | Y | B | -0.4458 | |
| 72 | V | B | 0.0000 | |
| 73 | S | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | L | B | -0.4793 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | -1.2205 | |
| 78 | D | B | -2.0970 | |
| 79 | S | B | 0.0000 | |
| 80 | Q | B | -1.1488 | |
| 81 | P | B | -0.5467 | |
| 82 | S | B | -0.4138 | |
| 83 | D | B | 0.0000 | |
| 84 | S | B | -0.5084 | |
| 85 | A | B | 0.0000 | |
| 86 | T | B | -0.6380 | |
| 87 | Y | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | P | B | -0.6495 | |
| 93 | G | B | -1.0524 | |
| 94 | G | B | -0.5915 | |
| 95 | Y | B | 0.3849 | |
| 96 | Q | B | -0.7277 | |
| 97 | K | B | -0.9719 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -0.6683 | |
| 100 | F | B | -0.3227 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | -0.7178 | |
| 103 | G | B | 0.0000 | |
| 104 | T | B | 0.0000 | |
| 105 | K | B | -1.5318 | |
| 106 | L | B | 0.0000 | |
| 107 | Q | B | -0.8780 | |
| 108 | V | B | 0.0000 | |
| 109 | I | B | -0.3498 | |
| 110 | P | B | 0.0000 | |
| 111 | N | B | -1.4139 | |
| 112 | I | B | -1.5697 | |
| 113 | Q | B | -2.1838 | |
| 114 | N | B | -2.4484 | |
| 115 | P | B | -2.1317 | |
| 116 | D | B | -2.7930 | |
| 117 | P | B | -1.8739 | |
| 118 | A | B | -1.4924 | |
| 119 | V | B | 0.0000 | |
| 120 | Y | B | 0.0000 | |
| 121 | Q | B | -1.4066 | |
| 122 | L | B | 0.0000 | |
| 123 | R | B | -2.9996 | |
| 124 | D | B | -2.4230 | |
| 125 | S | B | -1.6489 | |
| 126 | K | B | -2.6300 | |
| 127 | S | B | -2.3643 | |
| 128 | S | B | -2.4954 | |
| 129 | D | B | -3.0606 | |
| 130 | K | B | -3.0554 | |
| 131 | S | B | -2.1800 | |
| 132 | V | B | 0.0000 | |
| 133 | C | B | 0.0000 | |
| 134 | L | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | T | B | 0.0000 | |
| 137 | D | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | D | B | -2.0082 | |
| 140 | S | B | -1.2388 | |
| 141 | Q | B | -1.5167 | |
| 142 | T | B | 0.0000 | |
| 143 | N | B | -1.7345 | |
| 144 | V | B | -1.4279 | |
| 145 | S | B | -1.7976 | |
| 146 | N | B | -2.4365 | |
| 147 | S | B | -2.2525 | |
| 148 | K | B | -2.7953 | |
| 149 | D | B | -2.2942 | |
| 150 | S | B | -2.2134 | |
| 151 | D | B | -2.8527 | |
| 152 | V | B | -1.6916 | |
| 153 | Y | B | -1.1813 | |
| 154 | I | B | 0.0000 | |
| 155 | T | B | 0.0000 | |
| 156 | D | B | -2.6203 | |
| 157 | K | B | -1.5155 | |
| 158 | C | B | 0.0000 | |
| 159 | V | B | 0.2739 | |
| 160 | L | B | 0.0000 | |
| 161 | D | B | -1.1873 | |
| 162 | M | B | 0.0000 | |
| 163 | R | B | -2.5636 | |
| 164 | S | B | -1.2965 | |
| 165 | M | B | -0.8041 | |
| 166 | D | B | -2.1175 | |
| 167 | F | B | -1.2592 | |
| 168 | K | B | -1.0339 | |
| 169 | S | B | 0.0000 | |
| 170 | N | B | 0.0000 | |
| 171 | S | B | 0.0000 | |
| 172 | A | B | 0.0000 | |
| 173 | V | B | 0.0000 | |
| 174 | A | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | S | B | -1.6762 | |
| 177 | N | B | -2.3996 | |
| 178 | K | B | -2.3465 | |
| 179 | S | B | -1.6719 | |
| 180 | D | B | -2.2734 | |
| 181 | F | B | -1.4410 | |
| 182 | A | B | -0.8295 | |
| 183 | C | B | -0.7346 | |
| 184 | A | B | -1.3076 | |
| 185 | N | B | -2.0700 | |
| 186 | A | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | N | B | -1.9341 | |
| 189 | N | B | -2.1567 | |
| 190 | S | B | 0.0000 | |
| 191 | I | B | 0.9305 | |
| 192 | I | B | -0.1880 | |
| 193 | P | B | -0.9357 | |
| 194 | E | B | -2.3050 | |
| 195 | D | B | -2.0647 | |
| 196 | T | B | -1.0430 |
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