Project name: e93c67a80a1e5ca

Status: done

Started: 2026-07-12 20:20:14
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Chain sequence(s) A: HNTTVFQGVAGQSLQVSCPYDSMKHWGRRKAWCRQLGEKGPCQRVVSTHNLWLLSFLRRWNGSTAITDDTLGGTLTITLRNLQPHDAGLYQCQSLHGSEADTLRKVLVEVLAD
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)
Show buried residues

Minimal score value
-3.18
Maximal score value
2.1459
Average score
-0.6518
Total score value
-73.6571

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
19 H A -1.8244
20 N A -1.7976
21 T A -0.6296
22 T A 0.2203
23 V A 1.0852
24 F A 0.1417
25 Q A -0.6623
26 G A 0.0000
27 V A -0.6718
28 A A -1.5036
29 G A -1.8447
30 Q A -2.2481
31 S A -2.2146
32 L A 0.0000
33 Q A -1.6308
34 V A 0.0000
35 S A -0.4784
36 C A 0.0000
37 P A -0.8928
38 Y A -1.1153
39 D A -1.8004
40 S A -0.7389
41 M A 0.0114
42 K A -1.6639
43 H A 0.0000
44 W A 0.0838
45 G A -0.1913
46 R A -0.9518
47 R A -0.7917
48 K A 0.0000
49 A A 0.0000
50 W A 0.0000
51 C A 0.0000
52 R A -0.8546
53 Q A 0.0000
54 L A -0.1267
55 G A -1.3508
56 E A -2.5855
57 K A -2.6065
58 G A -1.5330
59 P A -1.0969
60 C A -1.0314
61 Q A -1.4739
62 R A -1.3416
63 V A -0.7201
64 V A 0.0000
65 S A -0.8234
66 T A 0.0000
67 H A -0.2149
68 N A -0.8242
69 L A 0.5788
70 W A 1.0937
71 L A 2.1459
72 L A 1.6491
73 S A 0.0000
74 F A 1.8928
75 L A 0.9225
76 R A -0.9410
77 R A -1.1375
78 W A -0.7019
79 N A -1.2836
80 G A -1.2598
81 S A -1.5245
82 T A -1.2658
83 A A 0.0000
84 I A 0.0000
85 T A -0.2605
86 D A 0.0000
87 D A -0.7139
88 T A 0.3387
89 L A 1.0207
90 G A -0.4261
91 G A 0.0000
92 T A -0.8378
93 L A 0.0000
94 T A -0.6442
95 I A 0.0000
96 T A 0.0000
97 L A 0.0000
98 R A -3.1800
99 N A -2.9067
100 L A 0.0000
101 Q A -2.0718
102 P A -1.1259
103 H A -1.6414
104 D A -1.4973
105 A A -0.8297
106 G A 0.0084
107 L A 0.2486
108 Y A 0.0000
109 Q A -0.7648
110 C A 0.0000
111 Q A 0.0000
112 S A 0.0000
113 L A -1.7036
114 H A -2.3203
115 G A -1.6847
116 S A -1.5462
117 E A -2.7051
118 A A -2.1024
119 D A -2.2877
120 T A -1.2286
121 L A 0.0000
122 R A -1.3872
123 K A -0.8589
124 V A 0.0000
125 L A 0.6361
126 V A 0.0000
127 E A -0.4198
128 V A -0.5137
129 L A 0.1713
130 A A -0.3634
131 D A -1.5348
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Laboratory of Theory of Biopolymers 2018