Project name: 9f7b7edd5f2e789

Status: done

Started: 2026-05-25 15:01:51
Settings
Chain sequence(s) A: QVQLVESGGGSVQAGGSLRLSCTASGFAFSSYLGWFRQAPGQEREAVAAWFDGTKYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCDRGIGARRGPYYMDVWGQGTQVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)
Show buried residues

Minimal score value
-3.2252
Maximal score value
1.3716
Average score
-0.7649
Total score value
-91.0286

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 Q A -1.4520
2 V A -1.0345
3 Q A -1.0057
4 L A 0.0000
5 V A 0.9189
6 E A 0.0468
7 S A -0.6953
8 G A -1.2903
9 G A -1.2055
10 G A -0.9477
11 S A -0.7301
12 V A -0.8593
13 Q A -1.8022
14 A A -1.9380
15 G A -1.8376
16 G A -1.3914
17 S A -1.4380
18 L A -1.2019
19 R A -2.1130
20 L A 0.0000
21 S A -0.5388
22 C A 0.0000
23 T A -0.1781
24 A A 0.0000
25 S A -0.6537
26 G A -0.7960
27 F A 0.0139
28 A A 0.3862
29 F A 0.3946
30 S A 0.4567
31 S A -0.0577
32 Y A 0.4710
33 L A 0.0000
34 G A 0.0000
35 W A 0.0000
36 F A -0.1602
37 R A 0.0000
38 Q A -1.6721
39 A A -1.6959
40 P A -1.1720
41 G A -1.6609
42 Q A -2.7799
43 E A -3.2252
44 R A -2.4210
45 E A -2.0938
46 A A -0.4422
47 V A 0.0000
48 A A 0.0000
49 A A 0.3533
50 W A -0.1025
51 F A -0.3158
52 D A -1.8108
53 G A -1.3648
54 T A -0.7145
55 K A -0.4539
56 Y A 0.5317
57 Y A -0.4207
58 A A -1.1506
59 D A -2.3409
60 S A -1.7331
61 V A 0.0000
62 K A -2.4489
63 G A -1.8611
64 R A -1.7597
65 F A 0.0000
66 T A -0.7726
67 I A 0.0000
68 S A -0.7293
69 R A -1.3800
70 D A -1.9012
71 N A -2.1061
72 A A -1.6002
73 K A -2.4095
74 N A -1.6384
75 T A -1.1236
76 V A 0.0000
77 T A -0.8105
78 L A 0.0000
79 Q A -1.1475
80 M A 0.0000
81 N A -1.8217
82 N A -2.2886
83 L A 0.0000
84 K A -2.6204
85 P A -1.9127
86 E A -2.3249
87 D A 0.0000
88 T A -1.1207
89 A A 0.0000
90 I A -0.3209
91 Y A 0.0000
92 Y A -0.1018
93 C A 0.0000
94 D A 0.0000
95 R A 0.0000
96 G A 0.0000
97 I A 1.0423
98 G A -0.3131
99 A A -0.7607
100 R A -2.5136
101 R A -2.1910
102 G A -1.0687
103 P A 0.1344
104 Y A 1.3716
105 Y A 1.0774
106 M A 0.7956
107 D A -0.5573
108 V A -0.2875
109 W A -0.0780
110 G A -0.1302
111 Q A -0.8591
112 G A 0.0000
113 T A -0.7175
114 Q A -1.2617
115 V A 0.0000
116 T A -1.0047
117 V A 0.0000
118 S A -1.2634
119 S A -0.9186
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018