Project name: ef713e2eef0b4f2

Status: done

Started: 2026-06-26 13:15:56
Settings
Chain sequence(s) A: NFLLTQPPSVSESPGKTVTLSCTVSSDSFGGNYVQWYQQRPGSVTRILIYENSQRPSGVPPRFSGSIDGSGKSASLTISGVEPEDEADYYCQSFDGTNVVFGGGTKLTV
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)
Show buried residues

Minimal score value
-2.8971
Maximal score value
1.5823
Average score
-0.7155
Total score value
-77.9872

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 -1.3981
2 F A -0.1973
3 L A 1.1204
4 L A 0.0000
5 T A 0.2059
6 Q A -0.3463
7 P A -0.6357
8 P A -0.9407
9 S A -1.0002
10 V A -0.5339
11 S A -0.7776
12 E A -1.2477
13 S A -1.2412
14 P A -1.5255
15 G A -1.8028
16 K A -2.1635
17 T A -1.3423
18 V A 0.0000
19 T A -0.2227
20 L A 0.0000
21 S A -0.1457
22 C A 0.0000
23 T A -0.5267
24 V A 0.0000
25 S A -0.4408
26 S A -1.1947
27 D A -2.2725
28 S A -2.1107
29 F A 0.0000
30 G A -1.4070
31 G A -1.2223
32 N A -0.7374
33 Y A 0.2257
34 V A 0.0000
35 Q A -0.0005
36 W A 0.0000
37 Y A -0.0470
38 Q A 0.0000
39 Q A -1.5557
40 R A -2.5485
41 P A -1.2485
42 G A -0.6759
43 S A -0.3546
44 V A 0.7644
45 T A -0.3904
46 R A -1.2707
47 I A -0.1595
48 L A 0.0000
49 I A 0.0000
50 Y A -0.4969
51 E A -1.2351
52 N A -0.9369
53 S A -1.1477
54 Q A -1.8116
55 R A -1.4409
56 P A -0.7743
57 S A -0.7173
58 G A -0.6379
59 V A -0.5044
60 P A -0.4870
61 P A -0.6293
62 R A -0.5340
63 F A 0.0000
64 S A -0.7087
65 G A -0.6970
66 S A -0.7813
67 I A -0.8187
68 D A -2.2066
69 G A -1.9977
70 S A -1.4564
71 G A -1.6648
72 K A -2.3750
73 S A -1.4530
74 A A 0.0000
75 S A -0.4350
76 L A 0.0000
77 T A -0.2738
78 I A 0.0000
79 S A -1.0649
80 G A -1.4373
81 V A 0.0000
82 E A -2.6850
83 P A -2.1005
84 E A -2.8971
85 D A 0.0000
86 E A -2.8908
87 A A 0.0000
88 D A -1.8855
89 Y A 0.0000
90 Y A -0.1355
91 C A 0.0000
92 Q A 0.0000
93 S A 0.0000
94 F A 0.1165
95 D A -1.1856
96 G A -1.1525
97 T A -0.7016
98 N A -0.9724
99 V A 0.8376
100 V A 0.9861
101 F A 1.5823
102 G A 0.5899
103 G A -0.3168
104 G A -0.6743
105 T A 0.0000
106 K A -2.4307
107 L A 0.0000
108 T A -1.1993
109 V A -0.7803
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Laboratory of Theory of Biopolymers 2018