Project name: 5ae6ff6da276f04

Status: done

Started: 2026-05-25 17:21:47
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFAFSSYMGWFRQAPGKGRELVAAWFDGTKYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCDRGIGARRGPYYMDVWGQGTQVTVSS
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)
Show buried residues

Minimal score value
-2.7988
Maximal score value
2.1961
Average score
-0.7039
Total score value
-83.7612

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 -2.0586
2 V A -1.0989
3 Q A -1.1577
4 L A 0.0000
5 V A 1.2246
6 E A 0.0000
7 S A -0.5406
8 G A -1.1723
9 G A -0.8292
10 G A -0.1160
11 L A 0.9267
12 V A 0.0000
13 Q A -1.4302
14 P A -1.6610
15 G A -1.4342
16 G A -1.0156
17 S A -1.3579
18 L A -1.1274
19 R A -2.2563
20 L A 0.0000
21 S A -0.3786
22 C A 0.0000
23 A A -0.1018
24 A A 0.0000
25 S A -0.9121
26 G A -1.1014
27 F A -0.4342
28 A A -0.1307
29 F A -0.7337
30 S A -0.7776
31 S A -0.2878
32 Y A 0.0000
33 M A 0.0000
34 G A 0.0000
35 W A 0.0000
36 F A 0.0176
37 R A 0.0000
38 Q A -1.5296
39 A A -1.6235
40 P A -1.1710
41 G A -1.6321
42 K A -2.5642
43 G A -2.1623
44 R A -1.9602
45 E A -1.1565
46 L A 0.1305
47 V A 0.0000
48 A A 0.0000
49 A A 0.0000
50 W A -0.4959
51 F A -1.1169
52 D A -2.2312
53 G A -1.4957
54 T A -0.9725
55 K A -0.7961
56 Y A -0.0689
57 Y A -0.7198
58 P A -1.2494
59 D A -2.5331
60 S A -1.5759
61 V A 0.0000
62 E A -2.6648
63 G A -1.7885
64 R A -1.5339
65 F A 0.0000
66 T A -0.9758
67 I A 0.0000
68 S A -0.5860
69 R A -1.1479
70 D A -1.8152
71 N A -2.3566
72 A A -1.7670
73 K A -2.6240
74 R A -2.2864
75 M A -1.1309
76 V A 0.0000
77 Y A -0.5959
78 L A 0.0000
79 Q A -1.5277
80 M A 0.0000
81 N A -1.4583
82 S A -1.2409
83 L A 0.0000
84 R A -2.3100
85 A A -1.7446
86 E A -2.2233
87 D A 0.0000
88 T A -0.8723
89 A A 0.0000
90 V A -0.4311
91 Y A 0.0000
92 Y A -0.0775
93 C A 0.0000
94 D A 0.0000
95 R A 0.2097
96 G A 0.0000
97 I A 1.9281
98 G A 0.4646
99 A A -0.9327
100 R A -2.7988
101 R A -2.7356
102 G A -1.2680
103 P A 0.1172
104 Y A 1.4835
105 Y A 2.1961
106 M A 1.2793
107 D A 0.5388
108 V A 0.3268
109 W A 0.1571
110 G A -0.0706
111 Q A -0.8361
112 G A -0.4486
113 T A -0.6656
114 Q A -0.9900
115 V A 0.0000
116 T A -0.3412
117 V A 0.0000
118 S A -0.8094
119 S A -0.5380
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Laboratory of Theory of Biopolymers 2018