Project name: 872b5ebd16f8437

Status: done

Started: 2025-02-13 09:16:10
Settings
Chain sequence(s) A: SLSAAEADLAGKSWAPVFANKNANGLDFLVALFEKFPDSANFFADFKGKSVADIKASPKLRDVSSRIFTRLNEFVNNAANAGKMSAMLSQFAKEHVGFGVGSAQFENVRSMFPGFVASVAAPPAGADAAWTKLFGLIIDALKAAGA
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)
Show buried residues

Aggrescan3D profile | 872b5ebd16f8437 | Chain AS1A15D27A44A56R70A86G97R109P123A140-4-2024ResidueScore
Minimal score value
-3.792
Maximal score value
1.5311
Average score
-1.0246
Total score value
-149.5969

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

Show chain Show residues from to
residue index residue name chain Aggrescan3D score mutation
residue index
residue name
chain
Aggrescan3D score
mutation
1 S A -0.8201
2 L A 0.0000
3 S A -0.6302
4 A A -0.7039
5 A A -0.7388
6 E A -1.4687
7 A A -1.7056
8 D A -2.4601
9 L A -1.6513
10 A A 0.0000
11 G A -1.8169
12 K A -2.2167
13 S A 0.0000
14 W A 0.0000
15 A A -0.5941
16 P A -0.3590
17 V A 0.0000
18 F A -0.2780
19 A A -0.6292
20 N A -1.5593
21 K A -1.6978
22 N A -2.5952
23 A A -1.7308
24 N A -1.4208
25 G A 0.0000
26 L A -2.0164
27 D A -2.1612
28 F A 0.0000
29 L A 0.0000
30 V A 0.0000
31 A A -1.4971
32 L A 0.0000
33 F A 0.0000
34 E A -2.7818
35 K A -2.8056
36 F A -1.8568
37 P A -2.1599
38 D A -2.7647
39 S A 0.0000
40 A A 0.0000
41 N A -2.3970
42 F A -0.1835
43 F A -0.1701
44 A A -0.2789
45 D A -1.0657
46 F A 0.0000
47 K A -2.7676
48 G A -2.2873
49 K A -2.4188
50 S A -1.7237
51 V A -1.3046
52 A A -1.2655
53 D A -2.2107
54 I A 0.0000
55 K A -2.7138
56 A A -1.4617
57 S A -1.8162
58 P A -1.9335
59 K A -2.6948
60 L A 0.0000
61 R A -3.7920
62 D A -3.6355
63 V A 0.0000
64 S A 0.0000
65 S A -2.5087
66 R A -2.7607
67 I A -1.3531
68 F A 0.0000
69 T A -1.7435
70 R A -2.5195
71 L A 0.0000
72 N A -1.9757
73 E A -2.9802
74 F A 0.0000
75 V A 0.0000
76 N A -2.6602
77 N A 0.0000
78 A A 0.0000
79 A A -1.2836
80 N A -1.7210
81 A A -1.1642
82 G A -1.5353
83 K A -2.3193
84 M A 0.0000
85 S A -1.0185
86 A A -0.8205
87 M A -1.2044
88 L A -0.8587
89 S A -1.0461
90 Q A -1.7723
91 F A -1.1429
92 A A 0.0000
93 K A -2.0527
94 E A -1.1442
95 H A -0.3312
96 V A -0.2512
97 G A -0.0263
98 F A 1.5311
99 G A 0.6803
100 V A 0.6587
101 G A -0.4193
102 S A 0.0000
103 A A -1.0127
104 Q A -1.0535
105 F A -1.3522
106 E A -2.3371
107 N A -1.8174
108 V A 0.0000
109 R A -2.0594
110 S A -1.5000
111 M A 0.0000
112 F A 0.0000
113 P A -1.0071
114 G A -0.7933
115 F A 0.0000
116 V A 0.0000
117 A A -0.2124
118 S A 0.0149
119 V A 0.4218
120 A A 0.2415
121 A A 0.0746
122 P A -0.6678
123 P A -0.6396
124 A A -0.3768
125 G A -0.9276
126 A A 0.0000
127 D A -2.0213
128 A A -1.1300
129 A A 0.0000
130 W A 0.0000
131 T A -1.3641
132 K A -1.3628
133 L A 0.0000
134 F A 0.0000
135 G A -1.1915
136 L A -0.6025
137 I A 0.0000
138 I A 0.0000
139 D A -2.2620
140 A A -1.7326
141 L A 0.0000
142 K A -2.3771
143 A A -1.5730
144 A A -1.5990
145 G A -1.3682
146 A A -1.0246
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018