| Chain sequence(s) |
A: ATRKTPERLLGELNGLVGNFPARRVIFRSDPLAASDHKTEESRNATMNNWLSYMPRGNGFIAVNQTERYTLPPPIKQLGQDTYSIAVFHQLHCLYAIMSVYDDLAAAKSAADLNAHHSRDDTHSNEHPHEQVHVHSHDHVDHCFQYLRQSLLCCGDTALEGQDPRTDNPGTDGTGAVHICKDFDGILAWADSRRLVDAKHN
B: ATRKTPERLLGELNGLVGNFPARRVIFRSDPLAASDHKTEESRNATMNNWLSYMPRGNGFIAVNQTERYTLPPPIKQLGQDTYSIAVFHQLHCLYAIMSVYDDLAAAKSAADLNAHHSRDDTHSNEHPHEQVHVHSHDHVDHCFQYLRQSLLCCGDTALEGQDPRTDNPGTDGTGAVHICKDFDGILAWADSRRLVDAKHN 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 (00:03:43)
[INFO] Main: Simulation completed successfully. (00:03:46)
|
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 | -0.7468 | |
| 2 | T | A | -1.4350 | |
| 3 | R | A | -2.7462 | |
| 4 | K | A | -2.9974 | |
| 5 | T | A | -2.1693 | |
| 6 | P | A | -2.1097 | |
| 7 | E | A | -3.0440 | |
| 8 | R | A | -2.0383 | |
| 9 | L | A | -1.3764 | |
| 10 | L | A | 0.0000 | |
| 11 | G | A | -1.0304 | |
| 12 | E | A | -0.7663 | |
| 13 | L | A | -0.6123 | |
| 14 | N | A | -0.7290 | |
| 15 | G | A | -0.9816 | |
| 16 | L | A | -0.1481 | |
| 17 | V | A | 0.0000 | |
| 18 | G | A | -0.8645 | |
| 19 | N | A | -1.6456 | |
| 20 | F | A | 0.0000 | |
| 21 | P | A | -0.9939 | |
| 22 | A | A | -1.8565 | |
| 23 | R | A | -2.7178 | |
| 24 | R | A | -1.8186 | |
| 25 | V | A | 0.2726 | |
| 26 | I | A | 1.5549 | |
| 27 | F | A | 0.0000 | |
| 28 | R | A | -1.4763 | |
| 29 | S | A | -1.2590 | |
| 30 | D | A | -0.8183 | |
| 31 | P | A | -0.5366 | |
| 32 | L | A | -0.1545 | |
| 33 | A | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | D | A | -2.3911 | |
| 37 | H | A | 0.0000 | |
| 38 | K | A | -3.0321 | |
| 39 | T | A | -2.9064 | |
| 40 | E | A | -3.7623 | |
| 41 | E | A | -3.6276 | |
| 42 | S | A | -2.7358 | |
| 43 | R | A | -2.8979 | |
| 44 | N | A | -2.8439 | |
| 45 | A | A | -1.7235 | |
| 46 | T | A | 0.0000 | |
| 47 | M | A | -1.1670 | |
| 48 | N | A | -1.5919 | |
| 49 | N | A | -0.7728 | |
| 50 | W | A | 0.0000 | |
| 51 | L | A | -0.7019 | |
| 52 | S | A | -0.5489 | |
| 53 | Y | A | -0.3138 | |
| 54 | M | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | R | A | -1.9562 | |
| 57 | G | A | 0.0000 | |
| 58 | N | A | -0.8684 | |
| 59 | G | A | 0.0000 | |
| 60 | F | A | 0.0619 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | -0.8953 | |
| 63 | V | A | 0.0000 | |
| 64 | N | A | -2.5770 | |
| 65 | Q | A | -2.9286 | |
| 66 | T | A | -2.4432 | |
| 67 | E | A | -3.1794 | |
| 68 | R | A | -3.0997 | |
| 69 | Y | A | -1.5107 | |
| 70 | T | A | -0.5007 | |
| 71 | L | A | -0.3454 | |
| 72 | P | A | -0.1449 | |
| 73 | P | A | -0.8808 | |
| 74 | P | A | -1.1953 | |
| 75 | I | A | 0.0000 | |
| 76 | K | A | -2.5841 | |
| 77 | Q | A | -1.0479 | |
| 78 | L | A | 0.6051 | |
| 79 | G | A | -0.8073 | |
| 80 | Q | A | -1.7414 | |
| 81 | D | A | -1.9796 | |
| 82 | T | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | S | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | H | A | -0.3030 | |
| 93 | C | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | Y | A | 0.1947 | |
| 96 | A | A | -0.0190 | |
| 97 | I | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | S | A | -0.2722 | |
| 100 | V | A | -0.4016 | |
| 101 | Y | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | D | A | -1.8342 | |
| 104 | L | A | -0.9879 | |
| 105 | A | A | 0.0000 | |
| 106 | A | A | -1.2379 | |
| 107 | A | A | -1.0057 | |
| 108 | K | A | -0.9260 | |
| 109 | S | A | -0.3750 | |
| 110 | A | A | -0.2590 | |
| 111 | A | A | -0.5323 | |
| 112 | D | A | -0.3543 | |
| 113 | L | A | 0.2838 | |
| 114 | N | A | -1.5074 | |
| 115 | A | A | -1.5518 | |
| 116 | H | A | -2.2188 | |
| 117 | H | A | -2.9909 | |
| 118 | S | A | -2.9730 | |
| 119 | R | A | -4.2818 | |
| 120 | D | A | -4.5554 | |
| 121 | D | A | -3.8834 | |
| 122 | T | A | -2.9101 | |
| 123 | H | A | -3.3235 | |
| 124 | S | A | -3.0178 | |
| 125 | N | A | -3.1708 | |
| 126 | E | A | -3.3533 | |
| 127 | H | A | -3.1288 | |
| 128 | P | A | -2.6322 | |
| 129 | H | A | -2.7613 | |
| 130 | E | A | -2.9851 | |
| 131 | Q | A | -1.9219 | |
| 132 | V | A | -0.2766 | |
| 133 | H | A | -0.6403 | |
| 134 | V | A | 0.8318 | |
| 135 | H | A | -0.7178 | |
| 136 | S | A | -1.1746 | |
| 137 | H | A | -1.5809 | |
| 138 | D | A | -2.6919 | |
| 139 | H | A | -1.8887 | |
| 140 | V | A | 0.0000 | |
| 141 | D | A | -1.5096 | |
| 142 | H | A | -1.1624 | |
| 143 | C | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | Q | A | -0.6021 | |
| 146 | Y | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | R | A | 0.0000 | |
| 149 | Q | A | -0.4707 | |
| 150 | S | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | C | A | 0.0000 | |
| 154 | C | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | E | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | Q | A | -1.5461 | |
| 163 | D | A | 0.0000 | |
| 164 | P | A | -1.7677 | |
| 165 | R | A | -2.5428 | |
| 166 | T | A | -2.3657 | |
| 167 | D | A | -3.1278 | |
| 168 | N | A | -2.8374 | |
| 169 | P | A | -1.9378 | |
| 170 | G | A | -1.4112 | |
| 171 | T | A | -0.6327 | |
| 172 | D | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | T | A | -0.7086 | |
| 175 | G | A | -0.1486 | |
| 176 | A | A | 0.0000 | |
| 177 | V | A | 0.3917 | |
| 178 | H | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | C | A | 0.0000 | |
| 181 | K | A | 0.0000 | |
| 182 | D | A | -1.3714 | |
| 183 | F | A | -0.8513 | |
| 184 | D | A | -1.6337 | |
| 185 | G | A | -1.0297 | |
| 186 | I | A | 0.0000 | |
| 187 | L | A | -0.5480 | |
| 188 | A | A | -0.6833 | |
| 189 | W | A | -0.5921 | |
| 190 | A | A | 0.0000 | |
| 191 | D | A | -1.2772 | |
| 192 | S | A | -1.1445 | |
| 193 | R | A | -1.5984 | |
| 194 | R | A | -1.5164 | |
| 195 | L | A | -0.0793 | |
| 196 | V | A | -0.2335 | |
| 197 | D | A | -1.8860 | |
| 198 | A | A | -1.3512 | |
| 199 | K | A | -1.7711 | |
| 200 | H | A | -1.5996 | |
| 201 | N | A | -0.8423 | |
| 1 | A | B | -0.7487 | |
| 2 | T | B | -1.4380 | |
| 3 | R | B | -2.7470 | |
| 4 | K | B | -2.8661 | |
| 5 | T | B | -2.0765 | |
| 6 | P | B | -1.9372 | |
| 7 | E | B | -2.6960 | |
| 8 | R | B | -2.5258 | |
| 9 | L | B | 0.0000 | |
| 10 | L | B | 0.0000 | |
| 11 | G | B | -1.1991 | |
| 12 | E | B | -0.8942 | |
| 13 | L | B | -0.7747 | |
| 14 | N | B | -0.7154 | |
| 15 | G | B | -1.0194 | |
| 16 | L | B | -0.1787 | |
| 17 | V | B | 0.0000 | |
| 18 | G | B | -0.7985 | |
| 19 | N | B | -1.6256 | |
| 20 | F | B | -1.0985 | |
| 21 | P | B | -0.8407 | |
| 22 | A | B | -1.7260 | |
| 23 | R | B | -2.6656 | |
| 24 | R | B | -2.0078 | |
| 25 | V | B | -0.0049 | |
| 26 | I | B | 1.2951 | |
| 27 | F | B | 0.0000 | |
| 28 | R | B | -1.5308 | |
| 29 | S | B | -1.2503 | |
| 30 | D | B | -0.7975 | |
| 31 | P | B | -0.5148 | |
| 32 | L | B | -0.1212 | |
| 33 | A | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | D | B | -2.3851 | |
| 37 | H | B | 0.0000 | |
| 38 | K | B | -3.0299 | |
| 39 | T | B | -2.9189 | |
| 40 | E | B | -3.7698 | |
| 41 | E | B | -3.6359 | |
| 42 | S | B | -2.7392 | |
| 43 | R | B | -2.9089 | |
| 44 | N | B | -2.8483 | |
| 45 | A | B | -1.7174 | |
| 46 | T | B | 0.0000 | |
| 47 | M | B | -1.1703 | |
| 48 | N | B | -1.5936 | |
| 49 | N | B | -0.7675 | |
| 50 | W | B | 0.0000 | |
| 51 | L | B | -0.7124 | |
| 52 | S | B | -0.5574 | |
| 53 | Y | B | -0.2807 | |
| 54 | M | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | R | B | -1.9665 | |
| 57 | G | B | 0.0000 | |
| 58 | N | B | -0.8731 | |
| 59 | G | B | 0.0000 | |
| 60 | F | B | 0.0587 | |
| 61 | I | B | 0.0000 | |
| 62 | A | B | -0.7791 | |
| 63 | V | B | 0.0000 | |
| 64 | N | B | -2.4354 | |
| 65 | Q | B | -2.7862 | |
| 66 | T | B | -2.3636 | |
| 67 | E | B | -3.1311 | |
| 68 | R | B | -3.0544 | |
| 69 | Y | B | -1.5114 | |
| 70 | T | B | -0.5239 | |
| 71 | L | B | -0.3668 | |
| 72 | P | B | -0.1270 | |
| 73 | P | B | -0.8731 | |
| 74 | P | B | -1.1224 | |
| 75 | I | B | 0.0000 | |
| 76 | K | B | -2.4480 | |
| 77 | Q | B | -0.9043 | |
| 78 | L | B | 0.7505 | |
| 79 | G | B | -0.5997 | |
| 80 | Q | B | -1.3038 | |
| 81 | D | B | -1.7050 | |
| 82 | T | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | S | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | F | B | 0.0000 | |
| 89 | H | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | L | B | 0.0000 | |
| 92 | H | B | -0.3294 | |
| 93 | C | B | 0.0000 | |
| 94 | L | B | 0.0000 | |
| 95 | Y | B | 0.1977 | |
| 96 | A | B | -0.0262 | |
| 97 | I | B | 0.0000 | |
| 98 | M | B | 0.0000 | |
| 99 | S | B | -0.2656 | |
| 100 | V | B | -0.4019 | |
| 101 | Y | B | 0.0000 | |
| 102 | D | B | 0.0000 | |
| 103 | D | B | -1.7777 | |
| 104 | L | B | -0.9662 | |
| 105 | A | B | 0.0000 | |
| 106 | A | B | -1.1383 | |
| 107 | A | B | -0.9602 | |
| 108 | K | B | -0.8317 | |
| 109 | S | B | -0.4300 | |
| 110 | A | B | -0.2152 | |
| 111 | A | B | -0.4857 | |
| 112 | D | B | -0.3236 | |
| 113 | L | B | 0.3391 | |
| 114 | N | B | -1.4544 | |
| 115 | A | B | -1.4995 | |
| 116 | H | B | -2.0982 | |
| 117 | H | B | -2.9455 | |
| 118 | S | B | -3.0064 | |
| 119 | R | B | -4.2772 | |
| 120 | D | B | -4.5480 | |
| 121 | D | B | -3.8973 | |
| 122 | T | B | -2.9399 | |
| 123 | H | B | -3.3906 | |
| 124 | S | B | -3.0399 | |
| 125 | N | B | -3.1782 | |
| 126 | E | B | -3.3483 | |
| 127 | H | B | -3.1369 | |
| 128 | P | B | -2.6238 | |
| 129 | H | B | -2.8049 | |
| 130 | E | B | -3.0709 | |
| 131 | Q | B | -2.0665 | |
| 132 | V | B | -0.5398 | |
| 133 | H | B | -0.7768 | |
| 134 | V | B | 0.7403 | |
| 135 | H | B | -0.7531 | |
| 136 | S | B | -1.1640 | |
| 137 | H | B | -1.5603 | |
| 138 | D | B | -2.6637 | |
| 139 | H | B | -1.8416 | |
| 140 | V | B | 0.0000 | |
| 141 | D | B | -1.4752 | |
| 142 | H | B | -1.1348 | |
| 143 | C | B | 0.0000 | |
| 144 | F | B | 0.0000 | |
| 145 | Q | B | -0.5898 | |
| 146 | Y | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | R | B | 0.0000 | |
| 149 | Q | B | -0.3038 | |
| 150 | S | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | C | B | 0.0000 | |
| 154 | C | B | 0.0000 | |
| 155 | G | B | 0.0000 | |
| 156 | D | B | 0.0000 | |
| 157 | T | B | 0.0000 | |
| 158 | A | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | E | B | 0.0000 | |
| 161 | G | B | 0.0000 | |
| 162 | Q | B | -1.5398 | |
| 163 | D | B | 0.0000 | |
| 164 | P | B | -1.7686 | |
| 165 | R | B | -2.5423 | |
| 166 | T | B | -2.3649 | |
| 167 | D | B | -3.1274 | |
| 168 | N | B | -2.8383 | |
| 169 | P | B | -1.9385 | |
| 170 | G | B | -1.4100 | |
| 171 | T | B | -0.6329 | |
| 172 | D | B | 0.0000 | |
| 173 | G | B | 0.0000 | |
| 174 | T | B | -0.6871 | |
| 175 | G | B | -0.0900 | |
| 176 | A | B | 0.0000 | |
| 177 | V | B | 0.4933 | |
| 178 | H | B | 0.0000 | |
| 179 | I | B | 0.0000 | |
| 180 | C | B | 0.0000 | |
| 181 | K | B | 0.0000 | |
| 182 | D | B | -1.4772 | |
| 183 | F | B | 0.0000 | |
| 184 | D | B | -1.7308 | |
| 185 | G | B | -1.1281 | |
| 186 | I | B | 0.0000 | |
| 187 | L | B | -0.5759 | |
| 188 | A | B | -0.6993 | |
| 189 | W | B | -0.6346 | |
| 190 | A | B | 0.0000 | |
| 191 | D | B | -1.2668 | |
| 192 | S | B | -1.1285 | |
| 193 | R | B | -1.5715 | |
| 194 | R | B | -1.5044 | |
| 195 | L | B | -0.1351 | |
| 196 | V | B | -0.2674 | |
| 197 | D | B | -1.9004 | |
| 198 | A | B | -1.3549 | |
| 199 | K | B | -1.7651 | |
| 200 | H | B | -1.5912 | |
| 201 | N | B | -0.8367 |
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