Project name: c70398f4fa539f0

Status: done

Started: 2026-05-20 05:08:35
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMGWFRQAPGKGRELVAAISSSGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCARLRGGRLDEATADYWGQGTQVTVSS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-3.2119
Maximal score value
0.9622
Average score
-0.9197
Total score value
-112.2015

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 -2.0700
2 V A -1.0291
3 Q A -1.3357
4 L A 0.0000
5 V A 0.3129
6 E A 0.0000
7 S A -0.7033
8 G A -0.9502
9 G A -0.7560
10 G A -0.0574
11 L A 0.9622
12 V A -0.0784
13 Q A -1.3752
14 P A -1.6781
15 G A -1.4804
16 G A -0.9917
17 S A -1.0898
18 L A -0.9521
19 R A -2.0485
20 L A 0.0000
21 S A -0.4622
22 C A 0.0000
23 A A -0.4078
24 A A 0.0000
25 S A -1.0946
26 G A -1.1860
27 F A -0.5443
28 T A -0.2465
29 F A 0.0000
30 S A -0.6684
31 S A -0.1827
32 Y A -0.1664
33 A A -0.5011
34 M 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 -1.9041
40 A A -1.7696
41 P A -1.2218
42 G A -1.6853
43 K A -2.7941
44 G A -2.4414
45 R A -2.4970
46 E A -2.2940
47 L A -1.1231
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A -0.6634
53 S A -0.4604
54 S A -0.7319
55 G A -0.9232
56 G A -0.7896
57 S A -0.4859
58 T A -0.2652
59 Y A -0.8684
60 Y A -1.0778
61 P A -1.7261
62 D A -2.5556
63 S A -1.8020
64 V A 0.0000
65 E A -2.7060
66 G A -1.8182
67 R A -1.4735
68 F A 0.0000
69 T A -0.8182
70 I A 0.0000
71 S A -0.5207
72 R A -1.1365
73 D A -1.7612
74 N A -1.8701
75 A A -1.5297
76 K A -2.4974
77 R A -2.1898
78 M A -1.1644
79 V A 0.0000
80 Y A -0.5382
81 L A 0.0000
82 Q A -1.1902
83 M A 0.0000
84 N A -1.3751
85 S A -1.2824
86 L A 0.0000
87 R A -2.6127
88 A A -1.9051
89 E A -2.3709
90 D A 0.0000
91 T A -0.9064
92 A A 0.0000
93 V A -0.5012
94 Y A 0.0000
95 Y A -0.3682
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 L A 0.0000
100 R A -2.4350
101 G A -2.2389
102 G A -2.4432
103 R A -3.2119
104 L A -2.1993
105 D A -2.4871
106 E A -3.0282
107 A A -2.2384
108 T A -1.7080
109 A A -0.8480
110 D A -1.0733
111 Y A 0.1166
112 W A 0.3055
113 G A -0.1576
114 Q A -1.0076
115 G A -0.6138
116 T A -0.7833
117 Q A -0.9809
118 V A 0.0000
119 T A -0.3516
120 V A 0.0000
121 S A -0.8353
122 S A -0.5854
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Laboratory of Theory of Biopolymers 2018