Chain sequence(s) |
C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
input PDB |
Selected Chain(s) | C |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | QI82C,WA47C,GV53C,PR41C,YQ95C,SV25C,RP67C,LE99C,KS65C,QG13C,RY19C,RH87C,VD118C,QH3C,MC34C,SR120C,GM10C,WN110C |
Energy difference between WT (input) and mutated protein (by FoldX) | 34.3545 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] (00:00:00) [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 C 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] FoldX: Building mutant model (00:00:24) [INFO] FoldX: Starting FoldX energy minimalization (00:04:28) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:50) [INFO] Main: Simulation completed successfully. (00:04:50) |
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 | E | C | -1.8042 | |
2 | V | C | 0.0000 | |
3 | H | C | -0.7093 | mutated: QH3C |
4 | L | C | 0.0000 | |
5 | V | C | 1.1376 | |
6 | E | C | 0.2595 | |
7 | S | C | 0.3484 | |
8 | G | C | 0.3693 | |
9 | G | C | 1.3488 | |
10 | M | C | 2.2068 | mutated: GM10C |
11 | L | C | 2.1876 | |
12 | V | C | 0.4341 | |
13 | G | C | -0.8818 | mutated: QG13C |
14 | P | C | -1.4812 | |
15 | G | C | -1.1973 | |
16 | G | C | -0.7670 | |
17 | S | C | -0.3705 | |
18 | L | C | 0.0000 | |
19 | Y | C | 1.3308 | mutated: RY19C |
20 | L | C | 0.0000 | |
21 | S | C | 0.4697 | |
22 | C | C | 0.0000 | |
23 | A | C | 0.5070 | |
24 | A | C | 0.0000 | |
25 | V | C | 1.8598 | mutated: SV25C |
26 | D | C | 0.0000 | |
27 | F | C | 1.9986 | |
28 | T | C | 0.5576 | |
29 | F | C | 0.0000 | |
30 | R | C | -1.7890 | |
31 | S | C | -0.6503 | |
32 | Y | C | -0.9568 | |
33 | E | C | -0.7818 | |
34 | C | C | 0.0000 | mutated: MC34C |
35 | S | C | 0.0000 | |
36 | W | C | 0.0000 | |
37 | V | C | 0.0000 | |
38 | R | C | 0.0000 | |
39 | Q | C | -0.9980 | |
40 | A | C | -1.8783 | |
41 | R | C | -2.9436 | mutated: PR41C |
42 | G | C | -2.2264 | |
43 | K | C | -2.6553 | |
44 | G | C | -1.3027 | |
45 | L | C | 0.2953 | |
46 | E | C | -0.5629 | |
47 | A | C | -0.0072 | mutated: WA47C |
48 | V | C | 0.0000 | |
49 | S | C | 0.0000 | |
50 | A | C | 0.5529 | |
51 | I | C | 0.0000 | |
52 | S | C | -0.1946 | |
53 | V | C | -0.5847 | mutated: GV53C |
54 | S | C | -0.9069 | |
55 | G | C | -0.8771 | |
56 | G | C | -0.6166 | |
57 | S | C | -0.1145 | |
58 | T | C | 0.4644 | |
59 | Y | C | 1.3512 | |
60 | Y | C | 0.5258 | |
61 | A | C | -0.5953 | |
62 | D | C | -1.7460 | |
63 | S | C | -1.3382 | |
64 | V | C | 0.0000 | |
65 | S | C | -0.7630 | mutated: KS65C |
66 | G | C | -0.8998 | |
67 | P | C | -0.5431 | mutated: RP67C |
68 | F | C | 0.0000 | |
69 | T | C | 0.3083 | |
70 | I | C | 0.0000 | |
71 | S | C | -0.3492 | |
72 | R | C | -1.2015 | |
73 | D | C | -1.8634 | |
74 | N | C | -2.0811 | |
75 | S | C | -1.7832 | |
76 | K | C | -2.3094 | |
77 | N | C | -1.2289 | |
78 | T | C | 0.0000 | |
79 | L | C | 0.0000 | |
80 | Y | C | 0.3857 | |
81 | L | C | 0.0000 | |
82 | I | C | 0.8574 | mutated: QI82C |
83 | M | C | 0.0000 | |
84 | N | C | -0.8082 | |
85 | S | C | -1.1974 | |
86 | L | C | 0.0000 | |
87 | H | C | -2.4015 | mutated: RH87C |
88 | A | C | -2.2454 | |
89 | E | C | -2.7347 | |
90 | D | C | -1.4664 | |
91 | T | C | 0.0000 | |
92 | A | C | 0.0000 | |
93 | I | C | 0.7360 | |
94 | Y | C | 0.0000 | |
95 | Q | C | -0.1659 | mutated: YQ95C |
96 | C | C | 0.0000 | |
97 | A | C | 0.0000 | |
98 | R | C | 0.0000 | |
99 | E | C | 0.0000 | mutated: LE99C |
100 | R | C | -2.9858 | |
101 | D | C | -3.2333 | |
102 | G | C | -1.9942 | |
103 | F | C | -1.0966 | |
104 | N | C | -2.3704 | |
105 | K | C | -3.0969 | |
106 | G | C | -1.7108 | |
107 | F | C | -0.7990 | |
108 | D | C | -1.2967 | |
109 | Y | C | -1.0048 | |
110 | N | C | -1.2999 | mutated: WN110C |
111 | G | C | 0.0000 | |
112 | Q | C | -1.2458 | |
113 | G | C | -0.2829 | |
114 | T | C | 0.8028 | |
115 | L | C | 2.0545 | |
116 | V | C | 0.0000 | |
117 | T | C | 0.6198 | |
118 | D | C | 0.0000 | mutated: VD118C |
119 | S | C | -1.3432 | |
120 | R | C | -2.5112 | mutated: SR120C |