Project name: 2b0c31dad1b9b6

Status: done

Started: 2026-04-20 08:44:25
Settings
Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASKSVSTMGWFRQAPGKGRELVAAIGGGTSTKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAREGSGRFKYWGQGTQVTVSS
input PDB
Selected Chain(s) C
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 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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)
Show buried residues

Minimal score value
-2.9358
Maximal score value
0.9985
Average score
-0.985
Total score value
-106.3851

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
mutation
1 E C -2.5887
2 V C 0.0000
3 Q C -1.6933
4 L C 0.0000
5 V C 0.9985
6 E C 0.0696
7 S C -0.6800
8 G C -0.9935
9 G C -0.8191
10 G C 0.1236
11 L C 0.8997
12 V C 0.0000
13 Q C -1.4145
14 P C -1.5810
15 G C -1.4255
16 G C -0.9830
17 S C -1.3671
18 L C -0.9776
19 R C -2.1840
20 L C 0.0000
21 S C -0.4413
22 C C 0.0000
23 A C -0.5217
24 A C 0.0000
25 S C -1.7614
26 K C -2.7616
27 S C -2.0824
28 V C 0.0000
29 S C -1.3457
30 T C -1.0489
31 M C 0.0000
32 G C 0.0000
33 W C 0.0000
34 F C -0.0919
35 R C -1.0899
36 Q C -1.8403
37 A C -1.8283
38 P C -1.1089
39 G C -1.7003
40 K C -2.8364
41 G C -2.5112
42 R C -2.3649
43 E C -1.7941
44 L C 0.3878
45 V C 0.0780
46 A C 0.0000
47 A C -0.0512
48 I C 0.0000
49 G C -1.0982
50 G C -1.3438
51 G C -1.1593
52 T C -0.6148
53 S C -0.7434
54 T C -1.0913
55 K C -1.7848
56 G C -1.5247
57 R C -1.4748
58 F C 0.0000
59 T C -1.1246
60 I C 0.0000
61 S C -0.7324
62 R C -1.5118
63 D C -2.0662
64 N C -2.7100
65 A C -1.8983
66 K C -2.9358
67 R C -2.9314
68 M C -1.5063
69 V C 0.0000
70 Y C -0.6093
71 L C 0.0000
72 Q C -1.5195
73 M C 0.0000
74 N C -1.5651
75 S C -1.3115
76 L C 0.0000
77 R C -2.2869
78 A C -1.7358
79 E C -2.2223
80 D C 0.0000
81 T C -0.9135
82 A C 0.0000
83 V C -0.5967
84 Y C 0.0000
85 Y C -0.2303
86 C C 0.0000
87 A C 0.0000
88 A C 0.0000
89 R C -2.3558
90 E C -2.8006
91 G C -1.7773
92 S C -1.4724
93 G C -2.0280
94 R C -2.8250
95 F C -2.0768
96 K C -2.7247
97 Y C 0.0000
98 W C -0.3279
99 G C -0.2539
100 Q C -0.9394
101 G C -0.6150
102 T C -0.8056
103 Q C -1.0538
104 V C 0.0000
105 T C -0.3598
106 V C 0.0000
107 S C -0.8037
108 S C -0.5921
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Laboratory of Theory of Biopolymers 2018