Project name: lanm_C7

Status: done

Started: 2026-07-27 01:22:12
Settings
Chain sequence(s) A: APTTTTKVDIAAFDPDKDGTIELKEALAAGSAAFDKLDPDKDGTLEAKELKGRVSEADLKKLDPDNDGTLEKKEYLAAVEAQFKAANPDNDGTIEARELASPAGSALVNLIR
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-4.0206
Maximal score value
0.0
Average score
-1.5175
Total score value
-169.9645

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 A A -0.0977
2 P A -0.2973
3 T A -0.2458
4 T A -0.5124
5 T A -0.7017
6 T A -1.1071
7 K A -2.2608
8 V A -1.4943
9 D A -1.9151
10 I A -1.3631
11 A A -1.2748
12 A A -0.7423
13 F A -0.8215
14 D A 0.0000
15 P A -1.8916
16 D A -3.2972
17 K A -3.5541
18 D A -3.5117
19 G A -2.3189
20 T A -1.7777
21 I A 0.0000
22 E A -1.3647
23 L A -0.9429
24 K A -1.5883
25 E A 0.0000
26 A A 0.0000
27 L A -0.1616
28 A A -0.1318
29 A A -0.4733
30 G A 0.0000
31 S A -0.6323
32 A A -0.9255
33 A A 0.0000
34 F A 0.0000
35 D A -2.7016
36 K A -2.8171
37 L A -2.0761
38 D A 0.0000
39 P A -2.6160
40 D A -3.6293
41 K A -4.0206
42 D A -3.5763
43 G A -2.8238
44 T A -2.4894
45 L A 0.0000
46 E A -1.9467
47 A A -2.3590
48 K A -2.8444
49 E A -2.0930
50 L A 0.0000
51 K A -3.0249
52 G A -1.9872
53 R A -1.7411
54 V A -1.5522
55 S A -2.1702
56 E A -3.2222
57 A A -2.1463
58 D A -2.5635
59 L A -2.8102
60 K A -3.9293
61 K A -3.3873
62 L A -2.1650
63 D A 0.0000
64 P A -2.5478
65 D A -3.5436
66 N A -3.8067
67 D A -3.6127
68 G A -2.6210
69 T A -2.3394
70 L A 0.0000
71 E A -2.6861
72 K A -2.2662
73 K A -2.4240
74 E A -1.7986
75 Y A 0.0000
76 L A -0.7246
77 A A -0.6980
78 A A 0.0000
79 V A 0.0000
80 E A -1.0573
81 A A -0.8225
82 Q A -0.8728
83 F A 0.0000
84 K A -2.5926
85 A A -1.4090
86 A A 0.0000
87 N A 0.0000
88 P A -2.2093
89 D A -3.3732
90 N A -3.5555
91 D A -3.3939
92 G A -2.4939
93 T A -2.0392
94 I A 0.0000
95 E A -2.0965
96 A A -1.9226
97 R A -2.3961
98 E A -1.7717
99 L A 0.0000
100 A A -1.3970
101 S A -0.6283
102 P A -0.3306
103 A A -0.5018
104 G A 0.0000
105 S A -0.4577
106 A A -0.2931
107 L A 0.0000
108 V A 0.0000
109 N A -1.0740
110 L A 0.0000
111 I A 0.0000
112 R A -2.1090
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Laboratory of Theory of Biopolymers 2018