Project name: 7b5c9f18ddfe442

Status: done

Started: 2026-07-29 09:18:33
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFRSFAIGWFRQAPGKGLEGVSSIGTSGSPTYYADSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCAVLPGPLSGGDTYVSYYEYWGQGTLVTVSS
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)
Show buried residues

Minimal score value
-2.9599
Maximal score value
1.562
Average score
-0.5883
Total score value
-73.5321

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 -2.0900
2 V A -1.3200
3 Q A -1.5018
4 L A 0.0000
5 V A 0.3974
6 E A 0.0000
7 S A -0.2460
8 G A -0.5375
9 G A 0.2599
10 G A 0.7317
11 L A 1.3089
12 V A 0.0000
13 Q A -1.5042
14 P A -1.8648
15 G A -1.6054
16 G A -1.1007
17 S A -1.1634
18 L A -0.8304
19 R A -1.7699
20 L A 0.0000
21 S A -0.4697
22 C A 0.0000
23 A A -0.4762
24 A A 0.0000
25 S A -1.0477
26 G A -1.2541
27 F A -0.6608
28 T A -0.6374
29 F A 0.0000
30 R A -2.1729
31 S A -0.9748
32 F A -0.2355
33 A A 0.0000
34 I A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.2149
40 A A -1.3959
41 P A -1.3349
42 G A -1.5799
43 K A -2.5069
44 G A -1.8011
45 L A -0.9809
46 E A -1.3104
47 G A -0.2170
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 G A 0.0000
53 T A -0.8571
54 S A -0.9544
55 G A -0.8839
56 S A -0.4421
57 P A -0.3915
58 T A -0.1325
59 Y A -0.3436
60 Y A -0.8621
61 A A -1.4762
62 D A -2.5322
63 S A -1.8284
64 V A 0.0000
65 K A -2.6283
66 G A -1.8170
67 R A -1.7717
68 F A 0.0000
69 T A -0.8685
70 I A 0.0000
71 S A -0.4963
72 R A -1.3531
73 D A -1.9580
74 N A -2.1262
75 A A -1.6488
76 K A -2.3385
77 N A -2.1971
78 T A -1.3284
79 L A 0.0000
80 Y A 0.0000
81 L A 0.0000
82 Q A -1.2262
83 M A 0.0000
84 N A -1.4394
85 S A -1.4522
86 L A 0.0000
87 R A -2.9599
88 A A -2.0647
89 E A -2.4976
90 D A 0.0000
91 T A -0.5652
92 A A 0.0000
93 V A 0.7270
94 Y A 0.0000
95 Y A 0.2031
96 C A 0.0000
97 A A 0.0000
98 V A 0.0000
99 L A 0.0000
100 P A -0.2483
101 G A -0.2354
102 P A -0.2838
103 L A -0.0676
104 S A -0.4956
105 G A -0.6151
106 G A -0.1523
107 D A 0.3295
108 T A 0.6322
109 Y A 1.5620
110 V A 1.1143
111 S A 0.8335
112 Y A 1.2936
113 Y A 0.0000
114 E A -1.1664
115 Y A -0.5605
116 W A -0.1023
117 G A -0.2713
118 Q A -0.8415
119 G A -0.0148
120 T A 0.5272
121 L A 1.5271
122 V A 0.0000
123 T A 0.2426
124 V A 0.0000
125 S A -0.9210
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Laboratory of Theory of Biopolymers 2018