Project name: e6fd4f9a99ee7a8

Status: done

Started: 2026-04-14 07:01:36
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Chain sequence(s) A: QLVESGGGLVQPGGSLRLSCAASGSVFKINVMAWYRQAPGKGRELVAGIISGGSTSYADSVKGRFTISRDNAKNTLYLQMNSLRPEDTAVYYCAFITTESDYDLGRRYWGQGTLVTVSS
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.8342
Maximal score value
1.7659
Average score
-0.6372
Total score value
-75.8316

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
3 Q A -0.9922
4 L A 0.0000
5 V A 0.4326
6 E A 0.0000
7 S A -0.4178
8 G A -0.8732
9 G A 0.0504
10 G A 0.8043
11 L A 1.4700
12 V A -0.0049
13 Q A -1.3030
14 P A -1.5665
15 G A -1.3986
16 G A -0.9651
17 S A -1.0956
18 L A -0.8639
19 R A -1.9797
20 L A 0.0000
21 S A -0.4911
22 C A 0.0000
23 A A -0.5347
24 A A -0.5585
25 S A -0.7438
26 G A -0.2913
27 S A 0.2374
28 V A 1.4615
29 F A 0.7533
30 K A -1.3015
31 I A -0.2047
32 N A 0.0467
33 V A 0.6924
34 M A 0.0000
35 A A 0.0000
36 W A 0.0000
37 Y A -0.1751
38 R A -0.7728
39 Q A -1.5145
40 A A -1.4923
41 P A -1.0948
42 G A -1.5831
43 K A -2.8342
44 G A -2.3420
45 R A -2.1855
46 E A -1.8278
47 L A 0.1294
48 V A 0.0000
49 A A 0.0000
50 G A 0.0000
51 I A 0.0000
52 I A 1.7659
53 S A 0.3457
54 G A -0.1589
55 G A -0.1161
56 S A 0.1541
57 T A 0.2001
58 S A -0.1510
59 Y A -0.6212
60 A A -1.1254
61 D A -2.4782
62 S A -1.7127
63 V A 0.0000
64 K A -2.6025
65 G A -1.7244
66 R A -1.5038
67 F A 0.0000
68 T A -0.8593
69 I A 0.0000
70 S A -0.6855
71 R A -1.5809
72 D A -2.1500
73 N A -2.5639
74 A A -1.8870
75 K A -2.7849
76 N A -2.2852
77 T A 0.0000
78 L A 0.0000
79 Y A -0.6811
80 L A 0.0000
81 Q A -1.2601
82 M A 0.0000
83 N A -1.4924
84 S A -1.2731
85 L A 0.0000
86 R A -2.2961
87 P A -1.8579
88 E A -2.3116
89 D A 0.0000
90 T A -0.4436
91 A A 0.0000
92 V A 0.6514
93 Y A 0.0000
94 Y A 0.1332
95 C A 0.0000
96 A A 0.0000
97 F A 0.0000
98 I A -0.2892
99 T A -0.9285
100 T A -1.8025
101 E A -2.2462
102 S A -1.7297
103 D A -1.9809
104 Y A -0.1661
105 D A -1.1917
106 L A 0.0421
107 G A -1.5614
108 R A -2.4256
109 R A -1.5699
110 Y A 0.0572
111 W A 0.4570
112 G A 0.0000
113 Q A -0.8041
114 G A 0.0025
115 T A 0.5206
116 L A 1.6276
117 V A 0.0000
118 T A 0.3623
119 V A 0.0000
120 S A -0.6540
121 S A -0.8645
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Laboratory of Theory of Biopolymers 2018