Project name: 2404d9eca2cba14

Status: done

Started: 2026-05-20 05:06:22
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Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTFYAMGWLRQAPGKEREFVAAISSSGGKTYYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCATGPGGTYTSDFRYWGQGTLVTVSS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
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Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)
Show buried residues

Minimal score value
-3.5494
Maximal score value
1.9595
Average score
-0.6892
Total score value
-82.0163

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 -1.8663
2 V A -1.1449
3 Q A -1.2200
4 L A 0.0000
5 V A 0.5062
6 E A 0.0000
7 S A -0.3336
8 G A -0.6334
9 G A 0.1404
10 G A 0.6378
11 L A 1.2971
12 V A 0.0000
13 Q A -1.3644
14 P A -1.4659
15 G A -1.3171
16 G A -0.8772
17 S A -1.0396
18 L A -0.8985
19 R A -2.1272
20 L A 0.0000
21 S A -0.4665
22 C A 0.0000
23 A A -0.2914
24 A A -0.3833
25 S A -0.8579
26 G A -0.5946
27 F A 0.8409
28 T A 0.0000
29 F A 1.9595
30 Y A 1.1446
31 A A 0.0000
32 M A 0.0000
33 G A 0.0000
34 W A 0.0000
35 L A -0.1909
36 R A 0.0000
37 Q A -1.6417
38 A A -1.5564
39 P A -1.3886
40 G A -1.9506
41 K A -3.3417
42 E A -3.5494
43 R A -2.6973
44 E A -2.2109
45 F A -0.7276
46 V A 0.0000
47 A A 0.0000
48 A A 0.0000
49 I A 0.0000
50 S A -0.6131
51 S A -0.0930
52 S A -0.7046
53 G A -1.3957
54 G A -1.5148
55 K A -1.9424
56 T A -0.7273
57 Y A -0.1672
58 Y A -0.5475
59 A A -1.2279
60 D A -2.3555
61 S A -1.7493
62 V A 0.0000
63 K A -2.5495
64 G A -1.7772
65 R A -1.3734
66 F A 0.0000
67 T A -0.8255
68 I A 0.0000
69 S A -0.7649
70 R A -1.2550
71 D A -1.9674
72 N A -1.8999
73 S A -1.8798
74 K A -2.6236
75 N A -1.7356
76 T A -1.2596
77 L A 0.0000
78 Y A -0.6212
79 L A 0.0000
80 Q A -1.3143
81 M A 0.0000
82 N A -1.3601
83 S A -1.1163
84 L A 0.0000
85 R A -1.9828
86 P A -1.7783
87 E A -2.2198
88 D A 0.0000
89 T A -0.3908
90 A A 0.0000
91 V A 0.7820
92 Y A 0.0000
93 Y A 0.3736
94 C A 0.0000
95 A A 0.0000
96 T A 0.0000
97 G A 0.0000
98 P A -0.6111
99 G A -1.1908
100 G A -0.7942
101 T A -0.6551
102 Y A -0.2954
103 T A -0.3177
104 S A -1.3326
105 D A -2.4051
106 F A 0.0000
107 R A -2.0151
108 Y A -0.8097
109 W A 0.1723
110 G A -0.0562
111 Q A -0.8844
112 G A 0.1248
113 T A 0.5732
114 L A 1.7259
115 V A 0.0000
116 T A 0.3264
117 V A 0.0000
118 S A -0.7848
119 S A -0.5986
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Laboratory of Theory of Biopolymers 2018