Project name: 6504f5aecdba5

Status: done

Started: 2026-05-07 03:13:44
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGFTISNYGMSWVRQAPGKGLEWVSAITVSGGRAYYADSVKGRFTISRDNAKNTVYLQMNSLRAEDTAVYYCARDRVVVAGIAFDYWGQGTLVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)
Show buried residues

Minimal score value
-2.557
Maximal score value
2.3763
Average score
-0.4441
Total score value
-53.7415

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
2 E A -2.1753
3 V A -1.2808
4 Q A -1.4315
5 L A 0.0000
6 V A 0.4209
7 E A 0.0000
8 S A -0.2578
9 G A -0.6428
10 G A -0.0299
11 G A 0.5648
12 L A 1.2730
13 V A 0.0000
14 Q A -1.3949
15 P A -1.7509
16 G A -1.4028
17 G A -0.9925
18 S A -1.2629
19 L A -0.9720
20 R A -1.9823
21 L A 0.0000
22 S A -0.4625
23 C A 0.0000
24 A A -0.3100
25 A A 0.0000
26 S A -1.0202
27 G A -1.2875
28 F A -0.7422
29 T A -0.5808
30 I A 0.0000
31 S A -0.9432
32 N A -0.6930
33 Y A 0.1900
34 G A 0.0000
35 M A 0.0000
36 S A 0.0000
37 W A 0.0000
38 V A 0.0000
39 R A 0.0000
40 Q A -0.3939
41 A A -1.0274
42 P A -0.9941
43 G A -1.3980
44 K A -2.0834
45 G A -0.9343
46 L A 0.4825
47 E A -0.3776
48 W A 0.2878
49 V A 0.0000
50 S A 0.0000
51 A A 0.0000
52 I A 0.0000
53 T A 0.0000
54 V A 0.1527
55 S A -0.7945
56 G A -1.2401
57 G A -1.2941
58 R A -1.7596
59 A A -0.6898
60 Y A -0.1735
61 Y A -0.4858
62 A A -1.1394
63 D A -2.4004
64 S A -1.6047
65 V A 0.0000
66 K A -2.5570
67 G A -1.7793
68 R A -1.4013
69 F A 0.0000
70 T A -0.7553
71 I A 0.0000
72 S A -0.7127
73 R A -1.0845
74 D A -1.8363
75 N A -1.8043
76 A A -1.4257
77 K A -2.3634
78 N A -1.8059
79 T A -1.1312
80 V A 0.0000
81 Y A -0.5425
82 L A 0.0000
83 Q A -1.1824
84 M A 0.0000
85 N A -1.4423
86 S A -1.2709
87 L A 0.0000
88 R A -2.2750
89 A A -1.7262
90 E A -2.1962
91 D A 0.0000
92 T A -0.5272
93 A A 0.0000
94 V A 0.6210
95 Y A 0.0000
96 Y A 0.4618
97 C A 0.0000
98 A A 0.0000
99 R A 0.0000
100 D A 0.0000
101 R A -0.1633
102 V A 1.7151
103 V A 2.3079
104 V A 2.2656
105 A A 1.6307
106 G A 0.0000
107 I A 2.3763
108 A A 0.8736
109 F A 0.8215
110 D A -0.1175
111 Y A 0.3455
112 W A 0.5478
113 G A -0.1372
114 Q A -0.8533
115 G A -0.0656
116 T A 0.3299
117 L A 1.1924
118 V A 0.0000
119 T A 0.2201
120 V A 0.0000
121 S A -0.7615
122 S A -0.4980
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018