| Chain sequence(s) |
A: MQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
B: QVQLVESGGGLVQPGGSLRLSCAASGGSEYSYSTFSLGWFRQAPGQGLEAVAAIASMGGLTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCQAGQESPDLSLDRVFWGQGTLVTVS 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 (00:02:12)
[INFO] Main: Simulation completed successfully. (00:02:14)
|
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 | 0.1923 | |
| 2 | Q | A | -1.2636 | |
| 3 | D | A | -1.5851 | |
| 4 | S | A | -1.1787 | |
| 5 | T | A | -1.2079 | |
| 6 | S | A | -1.4144 | |
| 7 | D | A | -1.9824 | |
| 8 | L | A | -0.6784 | |
| 9 | I | A | -0.3496 | |
| 10 | P | A | -0.6058 | |
| 11 | A | A | -0.3345 | |
| 12 | P | A | 0.0000 | |
| 13 | P | A | -0.7099 | |
| 14 | L | A | -0.4844 | |
| 15 | S | A | -0.9788 | |
| 16 | K | A | -1.8217 | |
| 17 | V | A | 0.0000 | |
| 18 | P | A | -0.7839 | |
| 19 | L | A | -0.8160 | |
| 20 | Q | A | -1.2792 | |
| 21 | Q | A | -2.0938 | |
| 22 | N | A | -2.1191 | |
| 23 | F | A | 0.0000 | |
| 24 | Q | A | -1.9705 | |
| 25 | D | A | -1.9532 | |
| 26 | N | A | -2.2963 | |
| 27 | Q | A | -1.9998 | |
| 28 | F | A | 0.0000 | |
| 29 | Q | A | -1.6695 | |
| 30 | G | A | -1.2589 | |
| 31 | K | A | -1.3101 | |
| 32 | W | A | 0.0000 | |
| 33 | Y | A | -0.5639 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | G | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | L | A | -1.1851 | |
| 44 | R | A | -3.2401 | |
| 45 | E | A | -4.2708 | |
| 46 | D | A | -4.3497 | |
| 47 | K | A | -4.2057 | |
| 48 | D | A | -4.0936 | |
| 49 | P | A | -2.7032 | |
| 50 | Q | A | -1.6178 | |
| 51 | K | A | -0.6458 | |
| 52 | M | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | T | A | 0.0000 | |
| 56 | I | A | -0.2171 | |
| 57 | Y | A | 0.0000 | |
| 58 | E | A | -1.3558 | |
| 59 | L | A | -1.8252 | |
| 60 | K | A | -2.7532 | |
| 61 | E | A | -3.3360 | |
| 62 | D | A | -3.3630 | |
| 63 | K | A | -3.0539 | |
| 64 | S | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | N | A | -0.3663 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | 0.4466 | |
| 69 | S | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | L | A | 0.3057 | |
| 72 | F | A | -0.8814 | |
| 73 | R | A | -2.0428 | |
| 74 | K | A | -3.0204 | |
| 75 | K | A | -2.8993 | |
| 76 | K | A | -1.8394 | |
| 77 | C | A | -0.5383 | |
| 78 | D | A | 0.0000 | |
| 79 | Y | A | 1.1113 | |
| 80 | W | A | 0.0000 | |
| 81 | I | A | 1.0426 | |
| 82 | R | A | 0.0000 | |
| 83 | T | A | -0.1734 | |
| 84 | F | A | 0.0000 | |
| 85 | V | A | -0.4455 | |
| 86 | P | A | -0.5683 | |
| 87 | G | A | -0.0743 | |
| 88 | C | A | 0.2006 | |
| 89 | Q | A | -0.6816 | |
| 90 | P | A | -1.2368 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | T | A | 0.0044 | |
| 95 | L | A | 0.0000 | |
| 96 | G | A | -0.8752 | |
| 97 | N | A | -1.8350 | |
| 98 | I | A | -1.3896 | |
| 99 | K | A | -2.2076 | |
| 100 | S | A | -1.4797 | |
| 101 | Y | A | 0.0000 | |
| 102 | P | A | -0.6358 | |
| 103 | G | A | -0.8207 | |
| 104 | L | A | 0.0000 | |
| 105 | T | A | -0.7176 | |
| 106 | S | A | -0.5094 | |
| 107 | Y | A | 0.0000 | |
| 108 | L | A | 0.1597 | |
| 109 | V | A | 0.0000 | |
| 110 | R | A | -0.2638 | |
| 111 | V | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | S | A | -0.6019 | |
| 114 | T | A | -1.3595 | |
| 115 | N | A | -2.1632 | |
| 116 | Y | A | -2.0675 | |
| 117 | N | A | -2.4227 | |
| 118 | Q | A | -2.6111 | |
| 119 | H | A | -1.4901 | |
| 120 | A | A | 0.0000 | |
| 121 | M | A | -0.1440 | |
| 122 | V | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | K | A | -0.2010 | |
| 126 | K | A | 0.0000 | |
| 127 | V | A | -0.7783 | |
| 128 | S | A | 0.0000 | |
| 129 | Q | A | -1.4117 | |
| 130 | N | A | -1.9169 | |
| 131 | R | A | -1.5875 | |
| 132 | E | A | -1.3839 | |
| 133 | Y | A | -0.4800 | |
| 134 | F | A | 0.0000 | |
| 135 | K | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | R | A | -1.8651 | |
| 142 | T | A | -1.5323 | |
| 143 | K | A | -1.2559 | |
| 144 | E | A | -2.1052 | |
| 145 | L | A | -1.1171 | |
| 146 | T | A | -1.5194 | |
| 147 | S | A | -2.0171 | |
| 148 | E | A | -2.7402 | |
| 149 | L | A | -1.9654 | |
| 150 | K | A | -2.3517 | |
| 151 | E | A | -3.3457 | |
| 152 | N | A | -2.6033 | |
| 153 | F | A | 0.0000 | |
| 154 | I | A | -2.1842 | |
| 155 | R | A | -2.8929 | |
| 156 | F | A | -1.4791 | |
| 157 | S | A | 0.0000 | |
| 158 | K | A | -2.3203 | |
| 159 | S | A | -1.4895 | |
| 160 | L | A | 0.0000 | |
| 161 | G | A | -1.1074 | |
| 162 | L | A | 0.0000 | |
| 163 | P | A | -1.5788 | |
| 164 | E | A | -2.7680 | |
| 165 | N | A | -2.3765 | |
| 166 | H | A | -1.5294 | |
| 167 | I | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | F | A | 0.3147 | |
| 170 | P | A | 0.0000 | |
| 171 | V | A | 0.3780 | |
| 172 | P | A | -0.6959 | |
| 173 | I | A | -1.2651 | |
| 174 | D | A | -2.3114 | |
| 175 | Q | A | -1.9238 | |
| 176 | C | A | -1.2538 | |
| 177 | I | A | -0.2785 | |
| 178 | D | A | -1.3018 | |
| 179 | G | A | -1.0514 | |
| 1 | Q | B | -1.6425 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -0.9619 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2963 | |
| 6 | E | B | -0.0447 | |
| 7 | S | B | -0.3700 | |
| 8 | G | B | -0.5928 | |
| 9 | G | B | 0.1505 | |
| 10 | G | B | 0.5328 | |
| 11 | L | B | 1.2998 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.3931 | |
| 14 | P | B | -1.5209 | |
| 15 | G | B | -1.4738 | |
| 16 | G | B | -1.2093 | |
| 17 | S | B | -1.0656 | |
| 18 | L | B | -0.6184 | |
| 19 | R | B | -1.3001 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3532 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3671 | |
| 24 | A | B | -0.6540 | |
| 25 | S | B | -0.6817 | |
| 26 | G | B | -1.2909 | |
| 27 | G | B | -1.1250 | |
| 28 | S | B | -0.7624 | |
| 29 | E | B | -0.9072 | |
| 30 | Y | B | -0.3644 | |
| 31 | S | B | -0.5742 | |
| 32 | Y | B | 0.0000 | |
| 33 | S | B | -0.4544 | |
| 34 | T | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | S | B | 0.0286 | |
| 37 | L | B | 0.0000 | |
| 38 | G | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | F | B | 0.0000 | |
| 41 | R | B | 0.0000 | |
| 42 | Q | B | -0.5147 | |
| 43 | A | B | -0.9344 | |
| 44 | P | B | -0.9503 | |
| 45 | G | B | -1.2587 | |
| 46 | Q | B | -1.7146 | |
| 47 | G | B | -0.9841 | |
| 48 | L | B | -0.0359 | |
| 49 | E | B | -0.5327 | |
| 50 | A | B | -0.3777 | |
| 51 | V | B | 0.0000 | |
| 52 | A | B | 0.0000 | |
| 53 | A | B | 0.2098 | |
| 54 | I | B | 0.2388 | |
| 55 | A | B | 0.0958 | |
| 56 | S | B | -0.0098 | |
| 57 | M | B | -0.2822 | |
| 58 | G | B | -0.7534 | |
| 59 | G | B | -0.1812 | |
| 60 | L | B | 0.4102 | |
| 61 | T | B | 0.1669 | |
| 62 | Y | B | 0.0085 | |
| 63 | Y | B | -0.4322 | |
| 64 | A | B | -1.0695 | |
| 65 | D | B | -2.0127 | |
| 66 | S | B | -1.3353 | |
| 67 | V | B | 0.0000 | |
| 68 | K | B | -1.2747 | |
| 69 | G | B | -0.9687 | |
| 70 | R | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.4273 | |
| 73 | I | B | 0.0000 | |
| 74 | S | B | -0.2822 | |
| 75 | R | B | -0.9930 | |
| 76 | D | B | -1.5089 | |
| 77 | N | B | -2.0290 | |
| 78 | S | B | -1.7901 | |
| 79 | K | B | -2.3873 | |
| 80 | N | B | -1.7918 | |
| 81 | T | B | -1.0057 | |
| 82 | L | B | 0.0000 | |
| 83 | Y | B | -0.2664 | |
| 84 | L | B | 0.0000 | |
| 85 | Q | B | -0.6968 | |
| 86 | M | B | 0.0000 | |
| 87 | N | B | -1.1263 | |
| 88 | S | B | -1.1936 | |
| 89 | L | B | 0.0000 | |
| 90 | R | B | -1.8593 | |
| 91 | A | B | -1.1311 | |
| 92 | E | B | -1.0391 | |
| 93 | D | B | 0.0000 | |
| 94 | T | B | -0.0488 | |
| 95 | A | B | 0.0000 | |
| 96 | V | B | 0.7254 | |
| 97 | Y | B | 0.0000 | |
| 98 | Y | B | 0.2849 | |
| 99 | C | B | 0.0000 | |
| 100 | Q | B | 0.0000 | |
| 101 | A | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | Q | B | 0.0000 | |
| 104 | E | B | 0.0000 | |
| 105 | S | B | 0.0000 | |
| 106 | P | B | -0.1083 | |
| 107 | D | B | 0.0000 | |
| 108 | L | B | 0.0000 | |
| 109 | S | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | D | B | 0.0000 | |
| 112 | R | B | -0.2421 | |
| 113 | V | B | 0.1412 | |
| 114 | F | B | -0.0132 | |
| 115 | W | B | 0.0440 | |
| 116 | G | B | -0.3941 | |
| 117 | Q | B | -0.9136 | |
| 118 | G | B | -0.1600 | |
| 119 | T | B | 0.0000 | |
| 120 | L | B | 1.4261 | |
| 121 | V | B | 0.0000 | |
| 122 | T | B | 0.5625 | |
| 123 | V | B | 0.0000 | |
| 124 | S | B | -0.4403 |
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