Project name: 97c2fae53cffad2

Status: done

Started: 2026-05-20 05:17:52
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGKYASNPMGWFRQAPGKGRELVAAILGGDGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAATLKGDDLASRLAALRDVSNWDFWGQGTQVTVSS
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)
Show buried residues

Minimal score value
-2.9466
Maximal score value
0.8949
Average score
-0.9102
Total score value
-121.0529

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 -2.7079
2 V A -2.0860
3 Q A -1.5131
4 L A 0.0000
5 V A 0.7121
6 E A 0.0000
7 S A -0.5879
8 G A -0.8419
9 G A -0.7355
10 G A -0.0685
11 L A 0.8949
12 V A 0.0000
13 Q A -1.3481
14 P A -1.5147
15 G A -1.3723
16 G A -0.9473
17 S A -1.1809
18 L A -0.8171
19 R A -1.6909
20 L A 0.0000
21 S A -0.2702
22 C A 0.0000
23 A A -0.4525
24 A A 0.0000
25 S A -1.7835
26 G A -2.3322
27 K A -2.4946
28 Y A 0.0000
29 A A -1.3922
30 S A -0.8971
31 N A -0.4398
32 P A 0.0000
33 M A 0.0000
34 G A 0.0000
35 W A 0.0000
36 F A 0.0000
37 R A 0.0000
38 Q A -1.6474
39 A A -1.6231
40 P A -1.1727
41 G A -1.6396
42 K A -2.6652
43 G A -2.1050
44 R A -2.2571
45 E A -2.4916
46 L A 0.0000
47 V A 0.0000
48 A A 0.0000
49 A A 0.0000
50 I A 0.0000
51 L A -0.2292
52 G A -0.7466
53 G A -1.4548
54 D A -2.3839
55 G A -1.5644
56 G A -1.0800
57 S A -0.5331
58 T A -0.0500
59 Y A -0.2975
60 Y A -0.8958
61 P A -1.7803
62 D A -2.5697
63 S A -1.8544
64 V A 0.0000
65 E A -2.7361
66 G A -1.8761
67 R A -1.6072
68 F A 0.0000
69 T A -0.8147
70 I A 0.0000
71 S A -0.6982
72 R A 0.0000
73 D A -2.1813
74 N A -2.2555
75 A A -1.8302
76 K A -2.7763
77 R A -2.8937
78 M A -1.3570
79 V A 0.0000
80 Y A -0.4019
81 L A 0.0000
82 Q A -1.0663
83 M A 0.0000
84 N A -1.3623
85 S A -1.2031
86 L A 0.0000
87 R A -2.1415
88 A A -1.6790
89 E A -2.1995
90 D A 0.0000
91 T A -0.8426
92 A A 0.0000
93 V A -0.4615
94 Y A 0.0000
95 Y A -0.2864
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 A A 0.0000
100 A A -0.8824
101 T A -0.4073
102 L A -0.6374
103 K A -1.7995
104 G A -2.2934
105 D A -2.9466
106 D A -2.3937
107 L A -0.0963
108 A A -0.3375
109 S A -1.5211
110 R A -1.9547
111 L A -0.6757
112 A A -0.9406
113 A A 0.0000
114 L A 0.0000
115 R A -2.5942
116 D A -1.8785
117 V A -1.0208
118 S A -0.8247
119 N A -1.1452
120 W A 0.0000
121 D A -1.6829
122 F A -0.9682
123 W A -0.2336
124 G A -0.1927
125 Q A -0.7876
126 G A -0.5595
127 T A 0.0000
128 Q A -0.9970
129 V A 0.0000
130 T A -0.3576
131 V A 0.0000
132 S A -0.7632
133 S A -0.5820
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Laboratory of Theory of Biopolymers 2018