Project name: 3930d390f192972

Status: done

Started: 2026-06-03 12:25:10
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Chain sequence(s) A: NFMLTQPHSVSESPGKTLTISCTGSSASIASHYVQWYQQRPGGAPTTLIYENDQRPSEVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDGNNHWVFGGGTKLTVL
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)
Show buried residues

Minimal score value
-2.8831
Maximal score value
1.786
Average score
-0.741
Total score value
-82.2508

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 N A -1.1964
2 F A -0.1183
3 M A 0.9529
4 L A 0.0000
5 T A 0.0687
6 Q A 0.0000
7 P A -0.8925
8 H A -1.5962
9 S A -1.2294
10 V A -0.5978
11 S A -0.2116
12 E A -0.4423
13 S A -0.3918
14 P A -0.9708
15 G A -1.6210
16 K A -1.9285
17 T A -1.0976
18 L A -0.3837
19 T A -0.0898
20 I A 0.0000
21 S A -0.1157
22 C A 0.0000
23 T A -0.2508
24 G A 0.0000
25 S A -0.1110
26 S A -0.2699
27 A A -0.3226
28 S A -0.5866
29 I A 0.0000
30 A A -0.2445
31 S A -0.3932
32 H A -0.5393
33 Y A 0.0428
34 V A 0.0000
35 Q A -0.3727
36 W A 0.0000
37 Y A -0.0065
38 Q A 0.0000
39 Q A -1.8680
40 R A -2.8831
41 P A -1.6823
42 G A -1.1664
43 G A -1.1635
44 A A -0.6651
45 P A -0.7784
46 T A -0.3902
47 T A -0.0200
48 L A 0.0000
49 I A 0.0000
50 Y A -0.8324
51 E A -1.6250
52 N A -1.5793
53 D A -2.6260
54 Q A -2.3544
55 R A -2.2363
56 P A -1.1799
57 S A -1.5207
58 E A -2.2025
59 V A -1.4634
60 P A -1.6174
61 D A -2.3680
62 R A -1.2768
63 F A 0.0000
64 S A -1.3874
65 G A -1.3470
66 S A -1.1686
67 I A -0.6283
68 D A -1.3382
69 S A -0.9889
70 S A -0.8290
71 S A -0.8141
72 N A -0.8588
73 S A -0.6919
74 A A 0.0000
75 S A -0.5647
76 L A 0.0000
77 T A -0.2035
78 I A 0.0000
79 S A -1.1802
80 G A -1.4500
81 L A 0.0000
82 K A -2.2370
83 T A -1.6389
84 E A -2.6777
85 D A 0.0000
86 E A -2.5811
87 A A 0.0000
88 D A -2.2082
89 Y A 0.0000
90 Y A -0.0041
91 C A 0.0000
92 Q A 0.0000
93 S A 0.0000
94 Y A -0.4379
95 D A -1.8034
96 G A -1.7200
97 N A -2.2215
98 N A -2.1049
99 H A -1.5276
100 W A 0.5274
101 V A 1.1037
102 F A 1.7860
103 G A 0.6451
104 G A -0.3478
105 G A -0.8018
106 T A 0.0000
107 K A -2.3570
108 L A 0.0000
109 T A -0.6221
110 V A -0.2922
111 L A 1.1360
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Laboratory of Theory of Biopolymers 2018