Project name: 5c73544759724d

Status: done

Started: 2025-08-12 13:22:01
Settings
Chain sequence(s) A: MQVQLVESGGGSVQAGGSLRLSCTASGTKELKYAAFDLGWFRQAPGQEREAVAAIDRDGGITYYADSVKGRFTISRDNAKNTVTLQMNNLKPVDTAIYYCAARRSRNRTYESWGQGTQVTVSGGGGSHHHHHHLEVSGWRLFKKIS
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)
Show buried residues

Minimal score value
-3.3429
Maximal score value
1.3525
Average score
-0.9433
Total score value
-137.7276

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 M A 0.0763
2 Q A -1.3120
3 V A 0.0000
4 Q A -1.3192
5 L A 0.0000
6 V A 0.6657
7 E A 0.0000
8 S A -0.6077
9 G A -1.2681
10 G A -1.1375
11 G A -0.9102
12 S A -0.7460
13 V A -0.9697
14 Q A -2.1271
15 A A -1.9277
16 G A -2.0285
17 G A -1.5003
18 S A -1.5229
19 L A -1.2288
20 R A -2.1414
21 L A 0.0000
22 S A -0.5689
23 C A 0.0000
24 T A -0.3157
25 A A 0.0000
26 S A -0.9456
27 G A -1.7395
28 T A -1.9426
29 K A -2.9215
30 E A -2.9987
31 L A -2.1783
32 K A -2.6347
33 Y A 0.0000
34 A A -1.7674
35 A A -1.6891
36 F A -1.6592
37 D A 0.0000
38 L A 0.0000
39 G A 0.0000
40 W A 0.0000
41 F A -0.2437
42 R A 0.0000
43 Q A -1.7791
44 A A -1.1599
45 P A -1.1626
46 G A -1.6794
47 Q A -2.8326
48 E A -3.3429
49 R A -2.6381
50 E A -2.3087
51 A A -0.5339
52 V A 0.0000
53 A A 0.0000
54 A A 0.5716
55 I A 0.0000
56 D A -0.9571
57 R A -2.4104
58 D A -2.4477
59 G A -1.3757
60 G A -0.4771
61 I A 1.3525
62 T A 1.2693
63 Y A 1.1711
64 Y A -0.3306
65 A A -1.1945
66 D A -2.3118
67 S A -1.3157
68 V A 0.0000
69 K A -2.4617
70 G A -1.8829
71 R A -1.6346
72 F A 0.0000
73 T A -0.7131
74 I A 0.0000
75 S A -0.5817
76 R A -1.4528
77 D A -1.7063
78 N A -2.1160
79 A A -1.4331
80 K A -2.1528
81 N A -1.6474
82 T A -0.9580
83 V A 0.0000
84 T A -0.7603
85 L A 0.0000
86 Q A -1.1641
87 M A 0.0000
88 N A -1.9397
89 N A -2.3797
90 L A 0.0000
91 K A -1.7389
92 P A -0.4135
93 V A 1.1668
94 D A 0.0000
95 T A 0.0475
96 A A 0.0000
97 I A -0.2172
98 Y A 0.0000
99 Y A -0.0797
100 C A 0.0000
101 A A 0.0000
102 A A 0.0000
103 R A -2.1906
104 R A -2.6224
105 S A -2.2576
106 R A -2.8712
107 N A -2.8044
108 R A -2.8392
109 T A -1.8270
110 Y A -1.1879
111 E A -2.0190
112 S A 0.0000
113 W A -0.2659
114 G A -0.2156
115 Q A -0.8577
116 G A 0.0000
117 T A -0.6571
118 Q A -1.1728
119 V A 0.0000
120 T A -0.5887
121 V A 0.0000
122 S A -1.2046
123 G A -1.4586
124 G A -1.7657
125 G A -1.5341
126 G A -1.4439
127 S A -1.5858
128 H A -2.2473
129 H A -2.5258
130 H A -2.7395
131 H A -2.4761
132 H A -2.1926
133 H A -1.4795
134 L A 0.2755
135 E A -0.8250
136 V A 1.1689
137 S A 0.1626
138 G A -0.0765
139 W A 1.0232
140 R A -0.3662
141 L A 1.1495
142 F A 1.2801
143 K A -0.8254
144 K A -0.8544
145 I A 0.8773
146 S A 0.0359
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Laboratory of Theory of Biopolymers 2018