Chain sequence(s) |
B: TSPNGIAVTKYFESFEARAYPDPATGGKPYTIGFGTTVYPSGAPVRLGDVCTKEQAEKYLQNDLAKFEKIVSDAVRVPLNQGQFDALVSFTYNLGPANLRSSTLLKKLNAGDYAGAAKEFPRWNRANGKVMKGLTRRRAAEQCLFEG
input PDB |
Selected Chain(s) | B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | CW52B,CY144B |
Energy difference between WT (input) and mutated protein (by FoldX) | 16.9786 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:02) [INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:02) [INFO] runJob: Creating pdb object from: input.pdb (00:00:02) [INFO] FoldX: Starting FoldX energy minimalization (00:00:02) [INFO] FoldX: Building mutant model (00:01:40) [INFO] FoldX: Starting FoldX energy minimalization (00:01:45) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:38) [INFO] Main: Simulation completed successfully. (00:02:39) |
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 | |
2 | T | B | -0.8959 | |
3 | S | B | -0.7426 | |
4 | P | B | -0.9102 | |
5 | N | B | -1.4413 | |
6 | G | B | 0.0000 | |
7 | I | B | -0.4129 | |
8 | A | B | -0.0610 | |
9 | V | B | 0.3467 | |
10 | T | B | 0.0000 | |
11 | K | B | 0.1349 | |
12 | Y | B | 1.2659 | |
13 | F | B | 0.6142 | |
14 | E | B | -0.3666 | |
15 | S | B | -0.3129 | |
16 | F | B | -0.7105 | |
17 | E | B | -1.0101 | |
18 | A | B | -0.7805 | |
19 | R | B | -1.1069 | |
20 | A | B | 0.0000 | |
21 | Y | B | -0.3184 | |
22 | P | B | -0.6549 | |
23 | D | B | -1.1075 | |
24 | P | B | -1.0549 | |
25 | A | B | -0.7318 | |
26 | T | B | -1.0800 | |
27 | G | B | -1.3767 | |
28 | G | B | -1.5904 | |
29 | K | B | -2.1842 | |
30 | P | B | -1.1559 | |
31 | Y | B | -0.5260 | |
32 | T | B | 0.0000 | |
33 | I | B | 0.0000 | |
34 | G | B | 0.0000 | |
35 | F | B | 0.0000 | |
36 | G | B | -0.4525 | |
37 | T | B | 0.0000 | |
38 | T | B | 0.0538 | |
39 | V | B | 0.4869 | |
40 | Y | B | -0.0251 | |
41 | P | B | -0.6385 | |
42 | S | B | -0.3760 | |
43 | G | B | -0.2980 | |
44 | A | B | -0.2417 | |
45 | P | B | -0.2353 | |
46 | V | B | 0.0000 | |
47 | R | B | -1.0229 | |
48 | L | B | 0.4540 | |
49 | G | B | -0.2143 | |
50 | D | B | -0.1338 | |
51 | V | B | 0.6982 | |
52 | W | B | -0.2549 | mutated: CW52B |
53 | T | B | -1.4369 | |
54 | K | B | -2.6850 | |
55 | E | B | -3.1951 | |
56 | Q | B | -2.2361 | |
57 | A | B | 0.0000 | |
58 | E | B | -2.6592 | |
59 | K | B | -2.8091 | |
60 | Y | B | 0.0000 | |
61 | L | B | 0.0000 | |
62 | Q | B | -2.3445 | |
63 | N | B | -2.1320 | |
64 | D | B | -1.6295 | |
65 | L | B | 0.0000 | |
66 | A | B | -2.0281 | |
67 | K | B | -2.5847 | |
68 | F | B | -1.7127 | |
69 | E | B | -2.2141 | |
70 | K | B | -2.9205 | |
71 | I | B | -1.9012 | |
72 | V | B | 0.0000 | |
73 | S | B | -1.9731 | |
74 | D | B | -2.7006 | |
75 | A | B | 0.0000 | |
76 | V | B | 0.0000 | |
77 | R | B | -2.3110 | |
78 | V | B | -0.9177 | |
79 | P | B | -0.8936 | |
80 | L | B | -0.9110 | |
81 | N | B | -2.0266 | |
82 | Q | B | -1.9639 | |
83 | G | B | -1.4202 | |
84 | Q | B | -1.0983 | |
85 | F | B | -0.6696 | |
86 | D | B | 0.0000 | |
87 | A | B | 0.0000 | |
88 | L | B | 0.0000 | |
89 | V | B | 0.0000 | |
90 | S | B | 0.0000 | |
91 | F | B | 0.0000 | |
92 | T | B | 0.0000 | |
93 | Y | B | -0.1691 | |
94 | N | B | -0.3296 | |
95 | L | B | -0.3309 | |
96 | G | B | -0.4526 | |
97 | P | B | -0.7182 | |
98 | A | B | -0.9968 | |
99 | N | B | -1.3215 | |
100 | L | B | 0.0000 | |
101 | R | B | -2.3778 | |
102 | S | B | -1.5906 | |
103 | S | B | 0.0000 | |
104 | T | B | -1.2745 | |
105 | L | B | 0.0000 | |
106 | L | B | 0.0000 | |
107 | K | B | -2.4796 | |
108 | K | B | -1.7303 | |
109 | L | B | 0.0000 | |
110 | N | B | -1.8277 | |
111 | A | B | -1.2955 | |
112 | G | B | -1.1710 | |
113 | D | B | -1.1872 | |
114 | Y | B | -0.6823 | |
115 | A | B | -0.8230 | |
116 | G | B | 0.0000 | |
117 | A | B | 0.0000 | |
118 | A | B | 0.0000 | |
119 | K | B | -2.1784 | |
120 | E | B | 0.0000 | |
121 | F | B | 0.0000 | |
122 | P | B | -1.8285 | |
123 | R | B | -2.1455 | |
124 | W | B | -1.0768 | |
125 | N | B | -1.6239 | |
126 | R | B | -2.0883 | |
127 | A | B | -1.5370 | |
128 | N | B | -2.0155 | |
129 | G | B | -1.8980 | |
130 | K | B | -2.1255 | |
131 | V | B | -0.6604 | |
132 | M | B | -0.8046 | |
133 | K | B | -1.9910 | |
134 | G | B | -1.6839 | |
135 | L | B | 0.0000 | |
136 | T | B | -1.6308 | |
137 | R | B | -2.3393 | |
138 | R | B | 0.0000 | |
139 | R | B | 0.0000 | |
140 | A | B | -0.7359 | |
141 | A | B | 0.0346 | |
142 | E | B | 0.0000 | |
143 | Q | B | -0.5387 | |
144 | Y | B | 0.6258 | mutated: CY144B |
145 | L | B | 0.1712 | |
146 | F | B | 0.0000 | |
147 | E | B | -1.8578 | |
148 | G | B | -1.2866 |