Project name: test

Status: done

Started: 2026-03-28 15:47:55
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTLSDYYMSWVRQAPGKGLEWMGIIYPGDSDTRYSPSFQGHVTISRDDSKNTLYLQMNSLRAEDTAVYYCTRWGAGKDVWGQGTTVTVSS
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]                                                (00:00:00)
[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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-2.7111
Maximal score value
1.1388
Average score
-0.708
Total score value
-82.1336

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 E A -1.9591
2 V A -0.8788
3 Q A -1.1111
4 L A 0.0000
5 V A 0.6972
6 E A 0.0000
7 S A -0.5109
8 G A -0.8147
9 G A -0.3970
10 G A 0.4177
11 L A 1.1388
12 V A -0.0245
13 Q A -1.3598
14 P A -1.6589
15 G A -1.5210
16 G A -1.0895
17 S A -1.4046
18 L A -1.0201
19 R A -2.1485
20 L A 0.0000
21 S A -0.4345
22 C A 0.0000
23 A A -0.2098
24 A A -0.3762
25 S A -0.7365
26 G A -1.0996
27 F A -0.6416
28 T A -0.8168
29 L A 0.0000
30 S A -1.5915
31 D A -1.7317
32 Y A 0.0707
33 Y A 0.6657
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5708
40 A A -1.1999
41 P A -1.3308
42 G A -1.4384
43 K A -2.1242
44 G A -0.9451
45 L A 0.5515
46 E A -0.2228
47 W A 0.5293
48 M A 0.0000
49 G A 0.0000
50 I A 0.0000
51 I A 0.0000
52 Y A -0.6039
53 P A -1.0236
54 G A -1.8956
55 D A -2.3960
56 S A -1.7082
57 D A -1.6106
58 T A -1.3074
59 R A -2.0332
60 Y A -1.1613
61 S A -0.7661
62 P A -1.0246
63 S A -0.7370
64 F A 0.0000
65 Q A -1.8275
66 G A -1.2611
67 H A -1.0709
68 V A 0.0000
69 T A -0.9909
70 I A 0.0000
71 S A -0.6173
72 R A -1.2334
73 D A -2.0625
74 D A -2.7111
75 S A -2.0686
76 K A -2.6204
77 N A -1.9307
78 T A -1.1998
79 L A 0.0000
80 Y A -0.6159
81 L A 0.0000
82 Q A -1.3087
83 M A 0.0000
84 N A -1.7150
85 S A -1.3676
86 L A 0.0000
87 R A -2.2159
88 A A -1.6775
89 E A -2.2131
90 D A 0.0000
91 T A -0.6572
92 A A 0.0000
93 V A 0.2586
94 Y A 0.0000
95 Y A 0.4790
96 C A 0.0000
97 T A 0.0000
98 R A -0.0022
99 W A 0.6488
100 G A -0.3163
101 A A -0.7956
102 G A -1.4096
103 K A -2.1551
104 D A -1.3614
105 V A -0.4278
106 W A 0.3001
107 G A 0.0000
108 Q A -0.7949
109 G A -0.2212
110 T A -0.1835
111 T A 0.1125
112 V A 0.0000
113 T A -0.0321
114 V A 0.0000
115 S A -0.7464
116 S A -0.5561
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Laboratory of Theory of Biopolymers 2018