Project name: 7c4412786a10f62

Status: done

Started: 2026-06-18 03:59:29
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Chain sequence(s) A: GEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLVSRHWKRGFILKRGEPPPGKPADDAGLV
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)
Show buried residues

Minimal score value
-3.7075
Maximal score value
2.239
Average score
-1.3094
Total score value
-161.0621

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 G A -1.4619
2 E A -2.2744
3 P A -1.5362
4 P A -1.4596
5 P A -1.4250
6 G A -1.5942
7 K A -2.4315
8 P A -2.3490
9 A A -2.3183
10 D A -3.1077
11 D A -2.4746
12 A A -1.0745
13 G A -0.0599
14 L A 1.1825
15 V A 1.7619
16 S A 0.0738
17 R A -1.8476
18 H A -1.9620
19 W A -1.0763
20 K A -2.7510
21 R A -3.0580
22 G A -1.0519
23 F A 1.5033
24 I A 0.0000
25 L A 0.5698
26 K A 0.0000
27 R A -2.7253
28 G A -2.7061
29 E A -2.9200
30 P A -2.2513
31 P A -1.1342
32 P A -1.2493
33 G A -1.2295
34 K A -1.5720
35 P A -1.8345
36 A A 0.0000
37 D A -3.1987
38 D A 0.0000
39 A A -1.4295
40 G A -0.1052
41 L A 0.0000
42 V A 1.3204
43 S A 0.0000
44 R A -1.6279
45 H A 0.0000
46 W A -1.5851
47 K A -3.3692
48 R A -3.4489
49 G A 0.0000
50 F A 1.1284
51 I A 0.0000
52 L A 0.4340
53 K A 0.0000
54 R A -2.6541
55 G A -2.8449
56 E A -3.1520
57 P A -2.5201
58 P A -1.5497
59 P A -1.2238
60 G A -1.4452
61 K A -1.8389
62 P A -2.0805
63 A A 0.0000
64 D A -3.2278
65 D A -2.3724
66 A A -1.3845
67 G A -0.4788
68 L A 0.0000
69 V A 0.6799
70 S A 0.0000
71 R A -1.4068
72 H A 0.0000
73 W A -1.6106
74 K A -3.5215
75 R A -2.8068
76 G A 0.0000
77 F A 0.9453
78 I A 0.0000
79 L A 0.0680
80 K A 0.0000
81 R A -3.5133
82 G A -3.3831
83 E A -3.7075
84 P A -2.6540
85 P A 0.0000
86 P A -1.3273
87 G A -1.5218
88 K A -1.7454
89 P A -1.8941
90 A A -2.3246
91 D A -2.9443
92 D A -2.4082
93 A A -1.3042
94 G A -0.1403
95 L A 0.0000
96 V A 1.1288
97 S A 0.0000
98 R A -1.6570
99 H A -1.8883
100 W A -1.4379
101 K A -3.3961
102 R A -2.7455
103 G A -1.4495
104 F A 1.2043
105 I A 1.4741
106 L A 0.3893
107 K A -1.6676
108 R A -3.4164
109 G A -3.4789
110 E A -3.5827
111 P A -2.6921
112 P A -2.0098
113 P A -1.3962
114 G A -1.5589
115 K A -2.6753
116 P A -2.1908
117 A A -2.6046
118 D A -3.1098
119 D A -2.5813
120 A A -1.3013
121 G A 0.2005
122 L A 2.1614
123 V A 2.2390
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Laboratory of Theory of Biopolymers 2018