Project name: 5c8b957ebfb246f

Status: done

Started: 2026-07-29 09:27:11
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Chain sequence(s) A: AVQLVDSGGGLVQPGGSLRLSCVASGSFYSINRMGWYRQAPGKQRELVADITSGGGTNYADSVKGRFTISRDNAKNTVYLQMTSLKPEDTAVYYCNAGVRIQWSSNNMGHWGKGTLVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)
Show buried residues

Minimal score value
-3.2054
Maximal score value
1.5933
Average score
-0.7088
Total score value
-85.0532

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 -0.2722
2 V A -0.3189
3 Q A -1.0105
4 L A 0.0000
5 V A 0.6128
6 D A 0.0000
7 S A -0.1407
8 G A -0.5081
9 G A 0.3673
10 G A 0.7377
11 L A 1.3119
12 V A 0.0000
13 Q A -1.3684
14 P A -1.5393
15 G A -1.3475
16 G A -0.8797
17 S A -1.1346
18 L A -1.1233
19 R A -2.3935
20 L A 0.0000
21 S A -0.3627
22 C A 0.0000
23 V A 0.3656
24 A A 0.0000
25 S A -0.5184
26 G A -0.6019
27 S A -0.2605
28 F A 0.5905
29 Y A 0.8027
30 S A -0.1942
31 I A 0.0000
32 N A -1.6541
33 R A -2.1406
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 Y A -0.2035
38 R A 0.0000
39 Q A -1.8299
40 A A -1.7260
41 P A -1.5503
42 G A -1.8862
43 K A -3.1820
44 Q A -3.2054
45 R A -2.8786
46 E A -2.3250
47 L A -0.8137
48 V A 0.0000
49 A A 0.0000
50 D A 0.0000
51 I A 0.0000
52 T A -1.4124
53 S A -1.4593
54 G A -1.1984
55 G A -1.3207
56 G A -1.0440
57 T A -0.9021
58 N A -1.1259
59 Y A -1.1431
60 A A -1.4914
61 D A -2.5436
62 S A -1.6315
63 V A 0.0000
64 K A -2.7261
65 G A -1.7112
66 R A -1.6731
67 F A 0.0000
68 T A -1.2015
69 I A 0.0000
70 S A -0.6986
71 R A -1.0631
72 D A -1.5702
73 N A -2.0175
74 A A -1.5090
75 K A -2.1334
76 N A -1.5163
77 T A 0.0000
78 V A 0.0000
79 Y A -0.6597
80 L A 0.0000
81 Q A -2.0679
82 M A 0.0000
83 T A -1.1577
84 S A -0.9921
85 L A 0.0000
86 K A -2.2478
87 P A -1.8314
88 E A -2.3483
89 D A 0.0000
90 T A -0.4807
91 A A 0.0000
92 V A 0.5694
93 Y A 0.0000
94 Y A -0.0070
95 C A 0.0000
96 N A -0.3735
97 A A 0.0000
98 G A -1.2059
99 V A 0.0000
100 R A -0.9626
101 I A 0.0165
102 Q A -0.5322
103 W A 0.4858
104 S A -0.3202
105 S A -0.7690
106 N A -1.6407
107 N A -1.5367
108 M A -0.3368
109 G A -0.6348
110 H A -0.1920
111 W A 0.1031
112 G A -0.4474
113 K A -1.3001
114 G A 0.0000
115 T A 0.4624
116 L A 1.5933
117 V A 0.0000
118 T A 0.3233
119 V A 0.0000
120 S A -0.8889
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Laboratory of Theory of Biopolymers 2018