Project name: b34f28cc7f1e965

Status: done

Started: 2026-05-19 08:01:13
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGRTFSVDAMGWLRQAPGKEREFVVVIDWTGGSTAYADSVKGRFTISRDNARNTVYLQMNNLKPEDTGVYYCAARERSRTAYDYWGQGTLVTVSS
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)
Show buried residues

Minimal score value
-3.5606
Maximal score value
1.6339
Average score
-0.7367
Total score value
-87.6723

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 A -2.0748
2 V A -1.1583
3 Q A -0.9297
4 L A 0.0000
5 V A 0.8849
6 E A 0.0000
7 S A -0.2217
8 G A -0.9596
9 G A 0.0048
10 G A 0.5848
11 L A 1.3583
12 V A 0.0000
13 Q A -1.5661
14 P A -1.9972
15 G A -1.8166
16 G A -1.2896
17 S A -1.6437
18 L A -1.3446
19 R A -2.3509
20 L A 0.0000
21 S A -0.5320
22 C A 0.0000
23 A A -0.1585
24 A A 0.0000
25 S A -1.0727
26 G A -1.4296
27 R A -1.1389
28 T A -0.4045
29 F A 0.0000
30 S A -0.4499
31 V A 0.2846
32 D A 0.0000
33 A A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 L A 0.0783
38 R A 0.0000
39 Q A -1.6544
40 A A 0.0000
41 P A -1.3710
42 G A -1.9410
43 K A -3.3432
44 E A -3.5606
45 R A -2.5184
46 E A -1.8391
47 F A 0.0965
48 V A 0.0000
49 V A 0.0000
50 V A 0.3372
51 I A 0.0000
52 D A -0.3966
53 W A 0.0341
54 T A -0.1782
55 G A -0.5226
56 G A -0.6812
57 S A -0.4764
58 T A -0.1648
59 A A -0.1875
60 Y A -0.6034
61 A A -1.0914
62 D A -2.4139
63 S A -1.7215
64 V A 0.0000
65 K A -2.6332
66 G A -1.8774
67 R A -1.8947
68 F A 0.0000
69 T A -0.9466
70 I A 0.0000
71 S A -0.5606
72 R A -0.9262
73 D A -1.3700
74 N A -1.2978
75 A A -1.3242
76 R A -2.3364
77 N A -1.6116
78 T A -0.9672
79 V A 0.0000
80 Y A -0.6353
81 L A 0.0000
82 Q A -1.6435
83 M A 0.0000
84 N A -1.9075
85 N A -2.2516
86 L A 0.0000
87 K A -2.6386
88 P A -1.9900
89 E A -2.3781
90 D A 0.0000
91 T A -0.4873
92 G A 0.0000
93 V A 0.7381
94 Y A 0.0000
95 Y A 0.3041
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 R A -1.6665
100 E A -1.9910
101 R A -2.3783
102 S A -1.9915
103 R A -2.7395
104 T A -1.4920
105 A A -0.9872
106 Y A 0.0000
107 D A -0.8031
108 Y A -0.1329
109 W A 0.2537
110 G A 0.0000
111 Q A -0.6206
112 G A 0.0000
113 T A 0.6362
114 L A 1.6339
115 V A 0.0000
116 T A 0.2985
117 V A 0.0000
118 S A -0.8830
119 S A -0.6328
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Laboratory of Theory of Biopolymers 2018