Project name: d3935451bbaf969

Status: done

Started: 2026-04-23 02:10:21
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGSFTFSSYNMGWFRQAPGKGRELVAAIGSDGSTSSKDSRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAGYGGSSNEGAWDYWGQGTQVTVSS
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
-2.7148
Maximal score value
1.0238
Average score
-0.8412
Total score value
-100.1074

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 -2.0874
2 V A -1.1674
3 Q A -0.9950
4 L A 0.0000
5 V A 0.6486
6 E A -0.1880
7 S A -0.7711
8 G A -1.1966
9 G A -0.8240
10 G A -0.0467
11 L A 1.0238
12 V A -0.0315
13 Q A -1.3425
14 P A -1.6849
15 G A -1.5674
16 G A -1.1022
17 S A -1.5705
18 L A -1.1516
19 R A -2.3748
20 L A 0.0000
21 S A -0.5031
22 C A 0.0000
23 A A -0.1800
24 A A 0.0000
25 S A -0.9801
26 G A -1.3028
27 S A -0.9384
28 F A 0.0000
29 T A -0.4151
30 F A 0.0000
31 S A -1.0062
32 S A -0.5019
33 Y A 0.0000
34 N A -0.4463
35 M A 0.0000
36 G A 0.0000
37 W A 0.0000
38 F A 0.0000
39 R A 0.0000
40 Q A -1.5360
41 A A -1.6461
42 P A -1.3728
43 G A -1.6489
44 K A -2.5977
45 G A -2.0629
46 R A -2.1954
47 E A -2.0121
48 L A -1.1312
49 V A 0.0000
50 A A 0.0000
51 A A 0.0000
52 I A 0.0000
53 G A -1.0492
54 S A -1.2878
55 D A -2.1619
56 G A -1.6090
57 S A -1.0556
58 T A -0.7391
59 S A -0.7741
60 S A -1.1098
61 K A -1.7929
62 D A -1.2822
63 S A -1.0233
64 R A -1.2696
65 F A 0.0000
66 T A -1.0752
67 I A 0.0000
68 S A -0.5319
69 R A -1.0398
70 D A -1.5473
71 N A -1.8434
72 A A -1.4462
73 K A -2.2778
74 R A -1.7204
75 M A -0.9070
76 V A 0.0000
77 Y A -0.6355
78 L A 0.0000
79 Q A -1.7826
80 M A 0.0000
81 N A -2.1867
82 S A -1.5475
83 L A 0.0000
84 R A -2.5165
85 A A -1.8063
86 E A -2.2961
87 D A 0.0000
88 T A -0.8957
89 A A 0.0000
90 V A -0.4689
91 Y A 0.0000
92 Y A -0.2727
93 C A 0.0000
94 A A 0.0000
95 A A 0.0000
96 G A 0.0000
97 Y A 0.6124
98 G A -0.3479
99 G A -0.5574
100 S A -0.9774
101 S A -1.5707
102 N A -2.4561
103 E A -2.7148
104 G A -1.8863
105 A A -1.3682
106 W A 0.0000
107 D A -1.6536
108 Y A -0.4990
109 W A -0.3349
110 G A -0.1870
111 Q A -0.9775
112 G A -0.6682
113 T A -0.8115
114 Q A -1.0284
115 V A 0.0000
116 T A -0.3282
117 V A 0.0000
118 S A -0.8087
119 S A -0.6858
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Laboratory of Theory of Biopolymers 2018