Project name: f6c3085272602d4

Status: done

Started: 2026-06-05 12:59:31
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Chain sequence(s) A: GVFTYESEFTSEIPPPRLFKAFVLDADNLVPKIAPQAIKHSEILWGDGGPGTIKKITFGEGSQYGYVKHKIDSIDKENYSYSYTLIEGDALGDTLEKISYETKLVASPSGGSIIKSTSHYHTKGNVEIKEEHVKAGKEKASNLFKLIETYLKGHPDAYN
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                                          (00:04:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:28)
Show buried residues

Minimal score value
-4.395
Maximal score value
0.8027
Average score
-1.2433
Total score value
-197.6862

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 -0.7608
2 V A 0.3024
3 F A 0.4103
4 T A 0.0277
5 Y A -0.8852
6 E A -2.4957
7 S A -1.7433
8 E A -1.6510
9 F A 0.8027
10 T A 0.1361
11 S A 0.0000
12 E A -2.3249
13 I A 0.0000
14 P A -0.7878
15 P A 0.0000
16 P A -1.0999
17 R A -0.8835
18 L A 0.0000
19 F A 0.0000
20 K A -0.8560
21 A A 0.0000
22 F A -0.2270
23 V A 0.0000
24 L A -0.3224
25 D A -0.9126
26 A A -0.9927
27 D A -2.2027
28 N A -2.6574
29 L A 0.0000
30 V A 0.0000
31 P A -2.3792
32 K A -2.5784
33 I A -0.7661
34 A A 0.0000
35 P A -2.2727
36 Q A -2.3248
37 A A -1.6239
38 I A 0.0000
39 K A -3.0474
40 H A -2.7221
41 S A -1.9874
42 E A -2.0507
43 I A -0.5016
44 L A 0.5820
45 W A 0.6014
46 G A -0.6924
47 D A -1.6604
48 G A -0.9647
49 G A -1.1078
50 P A -1.3890
51 G A -1.2435
52 T A 0.0000
53 I A -0.2602
54 K A 0.0000
55 K A -0.9181
56 I A -0.8650
57 T A -0.8672
58 F A -1.1405
59 G A -2.1405
60 E A -2.6631
61 G A -1.7653
62 S A -1.0693
63 Q A -1.1009
64 Y A 0.2216
65 G A -0.5454
66 Y A -0.4031
67 V A 0.0000
68 K A -0.5767
69 H A -0.4242
70 K A -0.9119
71 I A 0.0000
72 D A -2.0841
73 S A -1.2140
74 I A -1.2973
75 D A -2.2193
76 K A -2.8955
77 E A -3.2454
78 N A -2.6178
79 Y A -1.7656
80 S A 0.0000
81 Y A 0.0000
82 S A -1.1992
83 Y A -1.0356
84 T A -1.1200
85 L A 0.0000
86 I A -0.5721
87 E A -1.1825
88 G A -1.1325
89 D A -2.0773
90 A A -1.3984
91 L A 0.0000
92 G A -2.0522
93 D A -2.5611
94 T A -2.1803
95 L A 0.0000
96 E A -2.7267
97 K A -2.4065
98 I A 0.0000
99 S A -0.8723
100 Y A -0.7167
101 E A -1.6356
102 T A 0.0000
103 K A -1.6113
104 L A 0.0000
105 V A 0.3080
106 A A -0.0488
107 S A -0.3400
108 P A -0.4791
109 S A -0.8365
110 G A -1.0317
111 G A -1.0962
112 S A 0.0000
113 I A 0.1812
114 I A 0.0000
115 K A -1.6305
116 S A -1.7272
117 T A -1.8134
118 S A -0.7414
119 H A -0.3960
120 Y A -0.7890
121 H A -1.8483
122 T A 0.0000
123 K A -3.1434
124 G A -2.1537
125 N A -1.9720
126 V A -1.4491
127 E A -2.3353
128 I A -2.1954
129 K A -3.6909
130 E A -4.3950
131 E A -4.1072
132 H A -3.2567
133 V A 0.0000
134 K A -4.2258
135 A A -3.4494
136 G A -3.0238
137 K A -3.5466
138 E A -3.6429
139 K A -3.2412
140 A A -1.9947
141 S A -1.8589
142 N A -1.9756
143 L A -1.0299
144 F A 0.0000
145 K A -0.8103
146 L A -0.1400
147 I A 0.0000
148 E A -1.4682
149 T A -1.2971
150 Y A -1.2540
151 L A 0.0000
152 K A -2.7223
153 G A -1.9794
154 H A -2.3006
155 P A -2.2559
156 D A -2.7934
157 A A -1.9143
158 Y A -1.1712
159 N A -2.1016
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Laboratory of Theory of Biopolymers 2018