Project name: 151f10df640f63e

Status: done

Started: 2026-06-03 11:43:34
Settings
Chain sequence(s) A: NFLLTQPHSVSESPGKTVTISCTRSSGSIANNYVHWYQQRPGSSPTTVIFEDDHRPSGVPDRFSGSVDTSNSASLTISGLKTEDEADYYCQSYDHNNQVFGGGTKLTVL
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)
Show buried residues

Minimal score value
-2.7847
Maximal score value
1.1917
Average score
-0.7914
Total score value
-86.2667

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 -1.3300
2 F A 0.0000
3 L A 1.1917
4 L A 0.0000
5 T A 0.0939
6 Q A 0.0000
7 P A -0.9719
8 H A -1.6715
9 S A -1.3920
10 V A -0.7347
11 S A -0.4243
12 E A -0.6239
13 S A -0.4744
14 P A -0.9929
15 G A -1.6413
16 K A -2.0194
17 T A -1.2053
18 V A 0.0000
19 T A -0.1906
20 I A 0.0000
21 S A -0.1059
22 C A 0.0000
23 T A -0.3075
24 R A -0.1440
25 S A -0.2003
26 S A -0.5551
27 G A -1.1056
28 S A -1.0372
29 I A 0.0000
30 A A -0.8104
31 N A -1.3781
32 N A -0.8418
33 Y A 0.3314
34 V A 0.0000
35 H A -0.1678
36 W A 0.0000
37 Y A 0.0580
38 Q A 0.0000
39 Q A -1.6184
40 R A -2.4990
41 P A -1.4523
42 G A -1.0670
43 S A -1.0472
44 S A -0.7979
45 P A -0.7553
46 T A -0.3631
47 T A -0.0207
48 V A 0.0000
49 I A 0.0000
50 F A -0.6423
51 E A -1.1570
52 D A -1.2974
53 D A -2.4366
54 H A -2.1808
55 R A -1.9767
56 P A -0.8321
57 S A -0.8482
58 G A -0.8336
59 V A -0.7455
60 P A -1.2466
61 D A -2.1757
62 R A -1.2624
63 F A 0.0000
64 S A -1.3911
65 G A -1.2291
66 S A -1.1452
67 V A -0.6827
68 D A -1.7485
69 T A -1.0421
70 S A -0.9354
71 N A -1.0564
72 S A -0.8617
73 A A 0.0000
74 S A -0.6201
75 L A 0.0000
76 T A -0.2597
77 I A 0.0000
78 S A -1.1937
79 G A -1.2665
80 L A 0.0000
81 K A -2.1907
82 T A -1.6752
83 E A -2.7358
84 D A 0.0000
85 E A -2.6001
86 A A 0.0000
87 D A -1.8951
88 Y A 0.0000
89 Y A -0.0057
90 C A 0.0000
91 Q A 0.0000
92 S A 0.0000
93 Y A -1.3121
94 D A -2.1302
95 H A -2.4842
96 N A -2.6426
97 N A -2.7847
98 Q A -1.8632
99 V A -0.3355
100 F A 0.9710
101 G A 0.6079
102 G A -0.4276
103 G A -0.8242
104 T A 0.0000
105 K A -2.5823
106 L A 0.0000
107 T A -0.7509
108 V A -0.3624
109 L A 1.0958
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018